USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.056 (180deg=0) USER MOD Single : A 2 SER OG : rot -13:sc= 0.0986 USER MOD Single : A 3 SER OG : rot 42:sc= 0.6 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl -169:sc= -0.0346 (180deg=-0.27) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.7 K(o=-0.7,f=-0.031) USER MOD Single : A 32 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.74!) USER MOD Single : A 37 GLN : amide:sc= -6.17! C(o=-6.2!,f=-4.4!) USER MOD Single : A 40 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= -0.687 K(o=-0.69,f=-4!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -6.65! C(o=-6.7!,f=-5.5!) USER MOD Single : A 48 HIS : no HE2:sc= -5.56 K(o=-5.6,f=-8.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0763 K(o=-0.076,f=-1.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.35) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0393) USER MOD Single : A 80 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.33!) USER MOD Single : A 81 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.31) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -1.06 (180deg=-2.13!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0802 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.632 32.173 29.447 1.00 0.00 N ATOM 2 CA GLY A 1 4.496 32.990 29.063 1.00 0.00 C ATOM 3 C GLY A 1 4.598 33.490 27.636 1.00 0.00 C ATOM 4 O GLY A 1 5.286 32.892 26.809 1.00 0.00 O ATOM 0 H1 GLY A 1 5.294 31.271 29.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.224 31.987 28.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.194 32.675 30.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.580 32.410 29.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.420 33.842 29.739 1.00 0.00 H new ATOM 8 N SER A 2 3.911 34.590 27.345 1.00 0.00 N ATOM 9 CA SER A 2 3.923 35.168 26.006 1.00 0.00 C ATOM 10 C SER A 2 3.982 34.074 24.943 1.00 0.00 C ATOM 11 O SER A 2 4.711 34.189 23.958 1.00 0.00 O ATOM 12 CB SER A 2 5.114 36.114 25.847 1.00 0.00 C ATOM 13 OG SER A 2 6.335 35.395 25.804 1.00 0.00 O ATOM 0 H SER A 2 3.339 35.099 28.019 1.00 0.00 H new ATOM 0 HA SER A 2 3.000 35.732 25.872 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.000 36.697 24.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.134 36.821 26.676 1.00 0.00 H new ATOM 0 HG SER A 2 6.181 34.471 26.091 1.00 0.00 H new ATOM 19 N SER A 3 3.208 33.014 25.151 1.00 0.00 N ATOM 20 CA SER A 3 3.174 31.897 24.214 1.00 0.00 C ATOM 21 C SER A 3 1.848 31.860 23.461 1.00 0.00 C ATOM 22 O SER A 3 0.830 31.422 23.995 1.00 0.00 O ATOM 23 CB SER A 3 3.390 30.576 24.955 1.00 0.00 C ATOM 24 OG SER A 3 2.439 30.411 25.992 1.00 0.00 O ATOM 0 H SER A 3 2.596 32.905 25.960 1.00 0.00 H new ATOM 0 HA SER A 3 3.978 32.036 23.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.315 29.745 24.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.396 30.550 25.373 1.00 0.00 H new ATOM 0 HG SER A 3 1.557 30.699 25.676 1.00 0.00 H new ATOM 30 N GLY A 4 1.869 32.324 22.215 1.00 0.00 N ATOM 31 CA GLY A 4 0.663 32.336 21.408 1.00 0.00 C ATOM 32 C GLY A 4 0.876 32.990 20.057 1.00 0.00 C ATOM 33 O GLY A 4 1.982 33.425 19.738 1.00 0.00 O ATOM 0 H GLY A 4 2.699 32.692 21.750 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.317 31.313 21.262 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.124 32.866 21.945 1.00 0.00 H new ATOM 37 N SER A 5 -0.186 33.058 19.260 1.00 0.00 N ATOM 38 CA SER A 5 -0.108 33.658 17.933 1.00 0.00 C ATOM 39 C SER A 5 -1.501 33.985 17.403 1.00 0.00 C ATOM 40 O SER A 5 -2.500 33.444 17.877 1.00 0.00 O ATOM 41 CB SER A 5 0.611 32.717 16.965 1.00 0.00 C ATOM 42 OG SER A 5 0.858 33.354 15.724 1.00 0.00 O ATOM 0 H SER A 5 -1.110 32.705 19.510 1.00 0.00 H new ATOM 0 HA SER A 5 0.459 34.586 18.013 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.554 32.390 17.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.007 31.824 16.805 1.00 0.00 H new ATOM 0 HG SER A 5 1.320 32.732 15.123 1.00 0.00 H new ATOM 48 N SER A 6 -1.558 34.873 16.416 1.00 0.00 N ATOM 49 CA SER A 6 -2.828 35.276 15.823 1.00 0.00 C ATOM 50 C SER A 6 -2.781 35.152 14.303 1.00 0.00 C ATOM 51 O SER A 6 -1.717 34.957 13.717 1.00 0.00 O ATOM 52 CB SER A 6 -3.166 36.715 16.218 1.00 0.00 C ATOM 53 OG SER A 6 -3.107 36.885 17.624 1.00 0.00 O ATOM 0 H SER A 6 -0.740 35.327 16.010 1.00 0.00 H new ATOM 0 HA SER A 6 -3.605 34.611 16.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.469 37.401 15.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.163 36.969 15.859 1.00 0.00 H new ATOM 0 HG SER A 6 -3.325 37.813 17.851 1.00 0.00 H new ATOM 59 N GLY A 7 -3.944 35.266 13.670 1.00 0.00 N ATOM 60 CA GLY A 7 -4.015 35.164 12.224 1.00 0.00 C ATOM 61 C GLY A 7 -3.824 33.743 11.733 1.00 0.00 C ATOM 62 O GLY A 7 -3.948 32.791 12.503 1.00 0.00 O ATOM 0 H GLY A 7 -4.839 35.427 14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.981 35.536 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.253 35.804 11.780 1.00 0.00 H new ATOM 66 N ALA A 8 -3.524 33.598 10.446 1.00 0.00 N ATOM 67 CA ALA A 8 -3.315 32.283 9.854 1.00 0.00 C ATOM 68 C ALA A 8 -2.090 32.278 8.946 1.00 0.00 C ATOM 69 O ALA A 8 -1.507 33.326 8.668 1.00 0.00 O ATOM 70 CB ALA A 8 -4.551 31.851 9.079 1.00 0.00 C ATOM 0 H ALA A 8 -3.420 34.375 9.794 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.139 31.572 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.381 30.867 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.406 31.806 9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.753 32.570 8.285 1.00 0.00 H new ATOM 76 N ASP A 9 -1.705 31.092 8.487 1.00 0.00 N ATOM 77 CA ASP A 9 -0.549 30.951 7.609 1.00 0.00 C ATOM 78 C ASP A 9 -0.629 29.655 6.809 1.00 0.00 C ATOM 79 O ASP A 9 -0.792 28.574 7.375 1.00 0.00 O ATOM 80 CB ASP A 9 0.745 30.983 8.425 1.00 0.00 C ATOM 81 CG ASP A 9 1.087 32.376 8.914 1.00 0.00 C ATOM 82 OD1 ASP A 9 1.737 33.127 8.158 1.00 0.00 O ATOM 83 OD2 ASP A 9 0.705 32.715 10.054 1.00 0.00 O ATOM 0 H ASP A 9 -2.176 30.215 8.708 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.550 31.788 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.648 30.314 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.565 30.604 7.815 1.00 0.00 H new ATOM 88 N ASP A 10 -0.515 29.771 5.491 1.00 0.00 N ATOM 89 CA ASP A 10 -0.575 28.609 4.612 1.00 0.00 C ATOM 90 C ASP A 10 0.195 27.435 5.211 1.00 0.00 C ATOM 91 O ASP A 10 1.193 27.624 5.907 1.00 0.00 O ATOM 92 CB ASP A 10 -0.010 28.955 3.234 1.00 0.00 C ATOM 93 CG ASP A 10 -0.834 30.007 2.518 1.00 0.00 C ATOM 94 OD1 ASP A 10 -1.892 29.652 1.957 1.00 0.00 O ATOM 95 OD2 ASP A 10 -0.421 31.185 2.519 1.00 0.00 O ATOM 0 H ASP A 10 -0.380 30.659 5.007 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.620 28.319 4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.014 29.312 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.031 28.052 2.624 1.00 0.00 H new ATOM 100 N PHE A 11 -0.277 26.224 4.937 1.00 0.00 N ATOM 101 CA PHE A 11 0.365 25.019 5.450 1.00 0.00 C ATOM 102 C PHE A 11 0.037 23.813 4.575 1.00 0.00 C ATOM 103 O PHE A 11 -1.024 23.754 3.953 1.00 0.00 O ATOM 104 CB PHE A 11 -0.076 24.754 6.891 1.00 0.00 C ATOM 105 CG PHE A 11 0.969 24.067 7.722 1.00 0.00 C ATOM 106 CD1 PHE A 11 1.151 22.696 7.634 1.00 0.00 C ATOM 107 CD2 PHE A 11 1.770 24.792 8.590 1.00 0.00 C ATOM 108 CE1 PHE A 11 2.112 22.061 8.398 1.00 0.00 C ATOM 109 CE2 PHE A 11 2.733 24.162 9.356 1.00 0.00 C ATOM 110 CZ PHE A 11 2.905 22.795 9.259 1.00 0.00 C ATOM 0 H PHE A 11 -1.102 26.050 4.363 1.00 0.00 H new ATOM 0 HA PHE A 11 1.443 25.176 5.431 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.338 25.701 7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.979 24.143 6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.535 22.117 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.640 25.861 8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.243 20.992 8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.350 24.738 10.030 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.658 22.301 9.855 1.00 0.00 H new ATOM 120 N ALA A 12 0.954 22.852 4.533 1.00 0.00 N ATOM 121 CA ALA A 12 0.763 21.647 3.737 1.00 0.00 C ATOM 122 C ALA A 12 -0.694 21.197 3.764 1.00 0.00 C ATOM 123 O ALA A 12 -1.272 20.869 2.728 1.00 0.00 O ATOM 124 CB ALA A 12 1.670 20.533 4.238 1.00 0.00 C ATOM 0 H ALA A 12 1.837 22.885 5.042 1.00 0.00 H new ATOM 0 HA ALA A 12 1.026 21.878 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.516 19.639 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.710 20.849 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.434 20.312 5.279 1.00 0.00 H new ATOM 130 N MET A 13 -1.282 21.184 4.956 1.00 0.00 N ATOM 131 CA MET A 13 -2.673 20.774 5.117 1.00 0.00 C ATOM 132 C MET A 13 -3.514 21.225 3.927 1.00 0.00 C ATOM 133 O MET A 13 -4.309 20.455 3.390 1.00 0.00 O ATOM 134 CB MET A 13 -3.249 21.349 6.412 1.00 0.00 C ATOM 135 CG MET A 13 -3.015 20.467 7.627 1.00 0.00 C ATOM 136 SD MET A 13 -4.303 20.645 8.875 1.00 0.00 S ATOM 137 CE MET A 13 -3.357 20.401 10.376 1.00 0.00 C ATOM 0 H MET A 13 -0.818 21.452 5.824 1.00 0.00 H new ATOM 0 HA MET A 13 -2.702 19.686 5.167 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.806 22.328 6.594 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.321 21.503 6.286 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.964 19.425 7.310 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.050 20.714 8.069 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.017 20.482 11.239 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.899 19.412 10.361 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.578 21.161 10.443 1.00 0.00 H new ATOM 147 N GLU A 14 -3.333 22.478 3.522 1.00 0.00 N ATOM 148 CA GLU A 14 -4.077 23.031 2.396 1.00 0.00 C ATOM 149 C GLU A 14 -4.196 22.010 1.269 1.00 0.00 C ATOM 150 O GLU A 14 -5.298 21.607 0.896 1.00 0.00 O ATOM 151 CB GLU A 14 -3.395 24.300 1.879 1.00 0.00 C ATOM 152 CG GLU A 14 -4.297 25.168 1.017 1.00 0.00 C ATOM 153 CD GLU A 14 -3.767 26.579 0.854 1.00 0.00 C ATOM 154 OE1 GLU A 14 -2.699 26.743 0.228 1.00 0.00 O ATOM 155 OE2 GLU A 14 -4.421 27.519 1.352 1.00 0.00 O ATOM 0 H GLU A 14 -2.678 23.129 3.956 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.079 23.282 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.045 24.886 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.515 24.019 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.405 24.709 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.291 25.207 1.462 1.00 0.00 H new ATOM 162 N MET A 15 -3.054 21.596 0.730 1.00 0.00 N ATOM 163 CA MET A 15 -3.030 20.621 -0.355 1.00 0.00 C ATOM 164 C MET A 15 -3.543 19.265 0.122 1.00 0.00 C ATOM 165 O MET A 15 -4.267 18.577 -0.597 1.00 0.00 O ATOM 166 CB MET A 15 -1.612 20.477 -0.908 1.00 0.00 C ATOM 167 CG MET A 15 -0.992 21.795 -1.343 1.00 0.00 C ATOM 168 SD MET A 15 -1.676 22.406 -2.896 1.00 0.00 S ATOM 169 CE MET A 15 -2.739 23.720 -2.304 1.00 0.00 C ATOM 0 H MET A 15 -2.133 21.920 1.026 1.00 0.00 H new ATOM 0 HA MET A 15 -3.686 20.980 -1.148 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.979 20.021 -0.147 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.630 19.795 -1.758 1.00 0.00 H new ATOM 0 HG2 MET A 15 -1.149 22.540 -0.563 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.085 21.667 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.234 24.196 -3.150 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.489 23.306 -1.631 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.141 24.459 -1.771 1.00 0.00 H new ATOM 179 N GLY A 16 -3.163 18.888 1.338 1.00 0.00 N ATOM 180 CA GLY A 16 -3.593 17.616 1.889 1.00 0.00 C ATOM 181 C GLY A 16 -3.053 16.434 1.109 1.00 0.00 C ATOM 182 O GLY A 16 -3.787 15.493 0.804 1.00 0.00 O ATOM 0 H GLY A 16 -2.565 19.441 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.265 17.543 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.682 17.576 1.896 1.00 0.00 H new ATOM 186 N LEU A 17 -1.766 16.481 0.782 1.00 0.00 N ATOM 187 CA LEU A 17 -1.127 15.406 0.031 1.00 0.00 C ATOM 188 C LEU A 17 -0.034 14.737 0.859 1.00 0.00 C ATOM 189 O LEU A 17 0.817 14.028 0.324 1.00 0.00 O ATOM 190 CB LEU A 17 -0.535 15.949 -1.271 1.00 0.00 C ATOM 191 CG LEU A 17 0.565 17.000 -1.121 1.00 0.00 C ATOM 192 CD1 LEU A 17 1.924 16.333 -0.980 1.00 0.00 C ATOM 193 CD2 LEU A 17 0.558 17.953 -2.308 1.00 0.00 C ATOM 0 H LEU A 17 -1.144 17.252 1.025 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.886 14.660 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.134 15.111 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.343 16.380 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 17 0.370 17.576 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.695 17.096 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.925 15.692 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.128 15.732 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.347 18.694 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.728 17.391 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.407 18.457 -2.364 1.00 0.00 H new ATOM 205 N ALA A 18 -0.067 14.967 2.168 1.00 0.00 N ATOM 206 CA ALA A 18 0.918 14.384 3.070 1.00 0.00 C ATOM 207 C ALA A 18 0.451 13.028 3.590 1.00 0.00 C ATOM 208 O ALA A 18 -0.749 12.776 3.707 1.00 0.00 O ATOM 209 CB ALA A 18 1.196 15.328 4.230 1.00 0.00 C ATOM 0 H ALA A 18 -0.765 15.553 2.627 1.00 0.00 H new ATOM 0 HA ALA A 18 1.841 14.232 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.934 14.879 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.581 16.273 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.273 15.509 4.781 1.00 0.00 H new ATOM 215 N CYS A 19 1.406 12.158 3.899 1.00 0.00 N ATOM 216 CA CYS A 19 1.093 10.827 4.405 1.00 0.00 C ATOM 217 C CYS A 19 0.403 10.910 5.764 1.00 0.00 C ATOM 218 O CYS A 19 0.135 11.999 6.271 1.00 0.00 O ATOM 219 CB CYS A 19 2.368 9.989 4.519 1.00 0.00 C ATOM 220 SG CYS A 19 3.211 10.133 6.128 1.00 0.00 S ATOM 0 H CYS A 19 2.403 12.351 3.808 1.00 0.00 H new ATOM 0 HA CYS A 19 0.413 10.348 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.119 8.942 4.344 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.059 10.289 3.731 1.00 0.00 H new ATOM 225 N VAL A 20 0.118 9.750 6.349 1.00 0.00 N ATOM 226 CA VAL A 20 -0.539 9.691 7.649 1.00 0.00 C ATOM 227 C VAL A 20 0.450 9.318 8.748 1.00 0.00 C ATOM 228 O VAL A 20 0.196 9.548 9.930 1.00 0.00 O ATOM 229 CB VAL A 20 -1.695 8.673 7.647 1.00 0.00 C ATOM 230 CG1 VAL A 20 -1.349 7.473 6.779 1.00 0.00 C ATOM 231 CG2 VAL A 20 -2.023 8.237 9.067 1.00 0.00 C ATOM 0 H VAL A 20 0.332 8.839 5.943 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.940 10.685 7.847 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.578 9.153 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.178 6.765 6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.168 7.804 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.453 6.989 7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.842 7.518 9.047 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.145 7.774 9.518 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.318 9.106 9.656 1.00 0.00 H new ATOM 241 N VAL A 21 1.579 8.742 8.350 1.00 0.00 N ATOM 242 CA VAL A 21 2.608 8.338 9.301 1.00 0.00 C ATOM 243 C VAL A 21 3.252 9.552 9.962 1.00 0.00 C ATOM 244 O VAL A 21 2.966 9.868 11.117 1.00 0.00 O ATOM 245 CB VAL A 21 3.704 7.497 8.619 1.00 0.00 C ATOM 246 CG1 VAL A 21 4.799 7.141 9.612 1.00 0.00 C ATOM 247 CG2 VAL A 21 3.105 6.242 8.002 1.00 0.00 C ATOM 0 H VAL A 21 1.805 8.544 7.375 1.00 0.00 H new ATOM 0 HA VAL A 21 2.116 7.732 10.061 1.00 0.00 H new ATOM 0 HB VAL A 21 4.149 8.091 7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.564 6.547 9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.247 8.055 10.003 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.372 6.566 10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.893 5.660 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.633 5.643 8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.360 6.523 7.258 1.00 0.00 H new ATOM 257 N CYS A 22 4.123 10.229 9.221 1.00 0.00 N ATOM 258 CA CYS A 22 4.809 11.409 9.734 1.00 0.00 C ATOM 259 C CYS A 22 4.036 12.680 9.390 1.00 0.00 C ATOM 260 O CYS A 22 4.386 13.771 9.839 1.00 0.00 O ATOM 261 CB CYS A 22 6.225 11.490 9.162 1.00 0.00 C ATOM 262 SG CYS A 22 6.288 11.864 7.380 1.00 0.00 S ATOM 0 H CYS A 22 4.370 9.981 8.263 1.00 0.00 H new ATOM 0 HA CYS A 22 4.867 11.322 10.819 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.780 12.256 9.703 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.732 10.542 9.341 1.00 0.00 H new ATOM 267 N ARG A 23 2.984 12.528 8.592 1.00 0.00 N ATOM 268 CA ARG A 23 2.163 13.662 8.187 1.00 0.00 C ATOM 269 C ARG A 23 3.012 14.737 7.515 1.00 0.00 C ATOM 270 O ARG A 23 3.006 15.895 7.929 1.00 0.00 O ATOM 271 CB ARG A 23 1.440 14.254 9.399 1.00 0.00 C ATOM 272 CG ARG A 23 0.616 13.237 10.173 1.00 0.00 C ATOM 273 CD ARG A 23 1.479 12.441 11.139 1.00 0.00 C ATOM 274 NE ARG A 23 0.679 11.575 12.001 1.00 0.00 N ATOM 275 CZ ARG A 23 0.051 12.001 13.091 1.00 0.00 C ATOM 276 NH1 ARG A 23 0.130 13.275 13.451 1.00 0.00 N ATOM 277 NH2 ARG A 23 -0.658 11.152 13.825 1.00 0.00 N ATOM 0 H ARG A 23 2.681 11.631 8.213 1.00 0.00 H new ATOM 0 HA ARG A 23 1.425 13.305 7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.176 14.699 10.069 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.786 15.059 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.172 13.750 10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.126 12.557 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.190 11.836 10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.062 13.127 11.754 1.00 0.00 H new ATOM 0 HE ARG A 23 0.598 10.589 11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.674 13.931 12.890 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.353 13.599 14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.721 10.171 13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.140 11.480 14.662 1.00 0.00 H new ATOM 291 N GLN A 24 3.742 14.342 6.476 1.00 0.00 N ATOM 292 CA GLN A 24 4.598 15.271 5.748 1.00 0.00 C ATOM 293 C GLN A 24 4.439 15.091 4.242 1.00 0.00 C ATOM 294 O GLN A 24 3.660 14.254 3.786 1.00 0.00 O ATOM 295 CB GLN A 24 6.061 15.070 6.146 1.00 0.00 C ATOM 296 CG GLN A 24 6.323 15.284 7.628 1.00 0.00 C ATOM 297 CD GLN A 24 7.719 15.808 7.904 1.00 0.00 C ATOM 298 OE1 GLN A 24 8.691 15.053 7.895 1.00 0.00 O ATOM 299 NE2 GLN A 24 7.825 17.108 8.150 1.00 0.00 N ATOM 0 H GLN A 24 3.757 13.386 6.120 1.00 0.00 H new ATOM 0 HA GLN A 24 4.295 16.285 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.368 14.060 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.683 15.758 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.590 15.987 8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.181 14.342 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.992 17.697 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.739 17.518 8.342 1.00 0.00 H new ATOM 308 N MET A 25 5.182 15.881 3.474 1.00 0.00 N ATOM 309 CA MET A 25 5.124 15.808 2.019 1.00 0.00 C ATOM 310 C MET A 25 6.504 15.530 1.433 1.00 0.00 C ATOM 311 O MET A 25 6.642 15.271 0.237 1.00 0.00 O ATOM 312 CB MET A 25 4.565 17.110 1.443 1.00 0.00 C ATOM 313 CG MET A 25 3.234 17.523 2.052 1.00 0.00 C ATOM 314 SD MET A 25 2.385 18.781 1.078 1.00 0.00 S ATOM 315 CE MET A 25 3.642 20.053 0.999 1.00 0.00 C ATOM 0 H MET A 25 5.832 16.579 3.835 1.00 0.00 H new ATOM 0 HA MET A 25 4.462 14.986 1.748 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.290 17.908 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.443 16.998 0.366 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.593 16.646 2.144 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.402 17.902 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.207 20.970 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.033 20.241 1.999 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.452 19.724 0.348 1.00 0.00 H new ATOM 325 N THR A 26 7.525 15.586 2.282 1.00 0.00 N ATOM 326 CA THR A 26 8.895 15.342 1.848 1.00 0.00 C ATOM 327 C THR A 26 9.010 14.012 1.113 1.00 0.00 C ATOM 328 O THR A 26 8.747 12.952 1.681 1.00 0.00 O ATOM 329 CB THR A 26 9.870 15.342 3.040 1.00 0.00 C ATOM 330 OG1 THR A 26 9.691 16.530 3.820 1.00 0.00 O ATOM 331 CG2 THR A 26 11.311 15.257 2.560 1.00 0.00 C ATOM 0 H THR A 26 7.429 15.798 3.275 1.00 0.00 H new ATOM 0 HA THR A 26 9.161 16.153 1.170 1.00 0.00 H new ATOM 0 HB THR A 26 9.656 14.468 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.313 16.521 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.981 15.259 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.452 14.338 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.534 16.114 1.924 1.00 0.00 H new ATOM 339 N VAL A 27 9.405 14.074 -0.155 1.00 0.00 N ATOM 340 CA VAL A 27 9.556 12.873 -0.968 1.00 0.00 C ATOM 341 C VAL A 27 10.890 12.875 -1.707 1.00 0.00 C ATOM 342 O VAL A 27 11.710 13.774 -1.526 1.00 0.00 O ATOM 343 CB VAL A 27 8.414 12.742 -1.993 1.00 0.00 C ATOM 344 CG1 VAL A 27 7.127 12.312 -1.306 1.00 0.00 C ATOM 345 CG2 VAL A 27 8.217 14.051 -2.742 1.00 0.00 C ATOM 0 H VAL A 27 9.626 14.943 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 27 9.522 12.023 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 27 8.685 11.974 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.331 12.225 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.278 11.348 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.848 13.055 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.406 13.940 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.968 14.841 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.136 14.311 -3.268 1.00 0.00 H new ATOM 355 N ALA A 28 11.099 11.862 -2.542 1.00 0.00 N ATOM 356 CA ALA A 28 12.332 11.748 -3.311 1.00 0.00 C ATOM 357 C ALA A 28 12.152 10.811 -4.500 1.00 0.00 C ATOM 358 O ALA A 28 11.375 9.858 -4.440 1.00 0.00 O ATOM 359 CB ALA A 28 13.466 11.262 -2.420 1.00 0.00 C ATOM 0 H ALA A 28 10.430 11.109 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 28 12.585 12.736 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.381 11.181 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.618 11.971 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.212 10.285 -2.008 1.00 0.00 H new ATOM 365 N SER A 29 12.875 11.088 -5.581 1.00 0.00 N ATOM 366 CA SER A 29 12.792 10.271 -6.786 1.00 0.00 C ATOM 367 C SER A 29 12.573 8.803 -6.434 1.00 0.00 C ATOM 368 O SER A 29 11.915 8.068 -7.169 1.00 0.00 O ATOM 369 CB SER A 29 14.066 10.423 -7.619 1.00 0.00 C ATOM 370 OG SER A 29 13.960 9.721 -8.846 1.00 0.00 O ATOM 0 H SER A 29 13.525 11.872 -5.647 1.00 0.00 H new ATOM 0 HA SER A 29 11.940 10.617 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.252 11.479 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.920 10.048 -7.055 1.00 0.00 H new ATOM 0 HG SER A 29 14.786 9.835 -9.361 1.00 0.00 H new ATOM 376 N GLY A 30 13.132 8.383 -5.303 1.00 0.00 N ATOM 377 CA GLY A 30 12.987 7.004 -4.872 1.00 0.00 C ATOM 378 C GLY A 30 11.922 6.839 -3.807 1.00 0.00 C ATOM 379 O GLY A 30 11.150 5.881 -3.835 1.00 0.00 O ATOM 0 H GLY A 30 13.682 8.972 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.736 6.382 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.941 6.645 -4.486 1.00 0.00 H new ATOM 383 N ASN A 31 11.879 7.774 -2.863 1.00 0.00 N ATOM 384 CA ASN A 31 10.902 7.726 -1.782 1.00 0.00 C ATOM 385 C ASN A 31 9.723 8.650 -2.074 1.00 0.00 C ATOM 386 O ASN A 31 9.727 9.818 -1.686 1.00 0.00 O ATOM 387 CB ASN A 31 11.556 8.119 -0.456 1.00 0.00 C ATOM 388 CG ASN A 31 12.677 7.176 -0.064 1.00 0.00 C ATOM 389 OD1 ASN A 31 13.854 7.469 -0.279 1.00 0.00 O ATOM 390 ND2 ASN A 31 12.317 6.037 0.516 1.00 0.00 N ATOM 0 H ASN A 31 12.510 8.574 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 31 10.531 6.704 -1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.948 9.133 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.801 8.128 0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.028 5.364 0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.330 5.835 0.675 1.00 0.00 H new ATOM 397 N GLN A 32 8.716 8.117 -2.758 1.00 0.00 N ATOM 398 CA GLN A 32 7.530 8.894 -3.101 1.00 0.00 C ATOM 399 C GLN A 32 6.380 8.581 -2.149 1.00 0.00 C ATOM 400 O GLN A 32 6.547 7.840 -1.180 1.00 0.00 O ATOM 401 CB GLN A 32 7.107 8.608 -4.543 1.00 0.00 C ATOM 402 CG GLN A 32 8.195 8.895 -5.565 1.00 0.00 C ATOM 403 CD GLN A 32 8.320 10.371 -5.886 1.00 0.00 C ATOM 404 OE1 GLN A 32 9.334 11.001 -5.581 1.00 0.00 O ATOM 405 NE2 GLN A 32 7.288 10.932 -6.505 1.00 0.00 N ATOM 0 H GLN A 32 8.697 7.151 -3.086 1.00 0.00 H new ATOM 0 HA GLN A 32 7.778 9.951 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.810 7.562 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.229 9.208 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.149 8.527 -5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.982 8.345 -6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.468 10.372 -6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.315 11.923 -6.747 1.00 0.00 H new ATOM 414 N LEU A 33 5.214 9.151 -2.432 1.00 0.00 N ATOM 415 CA LEU A 33 4.035 8.934 -1.600 1.00 0.00 C ATOM 416 C LEU A 33 3.071 7.959 -2.268 1.00 0.00 C ATOM 417 O LEU A 33 3.034 7.846 -3.493 1.00 0.00 O ATOM 418 CB LEU A 33 3.328 10.262 -1.327 1.00 0.00 C ATOM 419 CG LEU A 33 3.806 11.038 -0.100 1.00 0.00 C ATOM 420 CD1 LEU A 33 3.575 12.529 -0.287 1.00 0.00 C ATOM 421 CD2 LEU A 33 3.102 10.540 1.154 1.00 0.00 C ATOM 0 H LEU A 33 5.059 9.767 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 33 4.362 8.503 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.445 10.900 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.262 10.066 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 33 4.876 10.870 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.922 13.065 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.126 12.876 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.511 12.717 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.455 11.104 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.026 10.677 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.320 9.482 1.298 1.00 0.00 H new ATOM 433 N VAL A 34 2.289 7.257 -1.453 1.00 0.00 N ATOM 434 CA VAL A 34 1.322 6.293 -1.964 1.00 0.00 C ATOM 435 C VAL A 34 -0.064 6.542 -1.378 1.00 0.00 C ATOM 436 O VAL A 34 -0.199 7.159 -0.322 1.00 0.00 O ATOM 437 CB VAL A 34 1.749 4.848 -1.648 1.00 0.00 C ATOM 438 CG1 VAL A 34 0.844 3.855 -2.363 1.00 0.00 C ATOM 439 CG2 VAL A 34 3.204 4.626 -2.031 1.00 0.00 C ATOM 0 H VAL A 34 2.307 7.338 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 34 1.285 6.424 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 34 1.651 4.686 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.161 2.839 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.185 3.999 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.907 4.015 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.488 3.599 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.331 4.807 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.837 5.313 -1.469 1.00 0.00 H new ATOM 449 N GLU A 35 -1.089 6.057 -2.071 1.00 0.00 N ATOM 450 CA GLU A 35 -2.465 6.228 -1.619 1.00 0.00 C ATOM 451 C GLU A 35 -3.200 4.891 -1.597 1.00 0.00 C ATOM 452 O GLU A 35 -3.173 4.138 -2.571 1.00 0.00 O ATOM 453 CB GLU A 35 -3.205 7.214 -2.525 1.00 0.00 C ATOM 454 CG GLU A 35 -4.642 7.467 -2.103 1.00 0.00 C ATOM 455 CD GLU A 35 -5.378 8.384 -3.061 1.00 0.00 C ATOM 456 OE1 GLU A 35 -4.775 9.382 -3.508 1.00 0.00 O ATOM 457 OE2 GLU A 35 -6.557 8.104 -3.364 1.00 0.00 O ATOM 0 H GLU A 35 -0.993 5.543 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.440 6.627 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.666 8.161 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.197 6.833 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.171 6.516 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.652 7.906 -1.105 1.00 0.00 H new ATOM 464 N CYS A 36 -3.856 4.602 -0.478 1.00 0.00 N ATOM 465 CA CYS A 36 -4.598 3.356 -0.326 1.00 0.00 C ATOM 466 C CYS A 36 -5.911 3.407 -1.102 1.00 0.00 C ATOM 467 O CYS A 36 -6.384 4.482 -1.470 1.00 0.00 O ATOM 468 CB CYS A 36 -4.877 3.081 1.153 1.00 0.00 C ATOM 469 SG CYS A 36 -5.547 1.420 1.487 1.00 0.00 S ATOM 0 H CYS A 36 -3.889 5.214 0.337 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.989 2.548 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.952 3.208 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.581 3.826 1.524 1.00 0.00 H new ATOM 474 N GLN A 37 -6.495 2.238 -1.345 1.00 0.00 N ATOM 475 CA GLN A 37 -7.753 2.150 -2.077 1.00 0.00 C ATOM 476 C GLN A 37 -8.930 2.002 -1.119 1.00 0.00 C ATOM 477 O GLN A 37 -10.045 2.428 -1.421 1.00 0.00 O ATOM 478 CB GLN A 37 -7.720 0.970 -3.049 1.00 0.00 C ATOM 479 CG GLN A 37 -6.346 0.712 -3.647 1.00 0.00 C ATOM 480 CD GLN A 37 -5.501 1.968 -3.731 1.00 0.00 C ATOM 481 OE1 GLN A 37 -4.381 2.012 -3.222 1.00 0.00 O ATOM 482 NE2 GLN A 37 -6.035 2.999 -4.375 1.00 0.00 N ATOM 0 H GLN A 37 -6.117 1.339 -1.046 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.881 3.073 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.055 0.072 -2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.429 1.155 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.825 -0.032 -3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.462 0.289 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.967 2.919 -4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.513 3.871 -4.463 1.00 0.00 H new ATOM 491 N GLU A 38 -8.675 1.396 0.036 1.00 0.00 N ATOM 492 CA GLU A 38 -9.716 1.191 1.037 1.00 0.00 C ATOM 493 C GLU A 38 -9.843 2.409 1.947 1.00 0.00 C ATOM 494 O GLU A 38 -10.831 3.142 1.888 1.00 0.00 O ATOM 495 CB GLU A 38 -9.412 -0.054 1.873 1.00 0.00 C ATOM 496 CG GLU A 38 -10.645 -0.675 2.509 1.00 0.00 C ATOM 497 CD GLU A 38 -11.119 0.090 3.729 1.00 0.00 C ATOM 498 OE1 GLU A 38 -10.276 0.727 4.395 1.00 0.00 O ATOM 499 OE2 GLU A 38 -12.334 0.053 4.018 1.00 0.00 O ATOM 0 H GLU A 38 -7.757 1.039 0.302 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.663 1.048 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.926 -0.797 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.702 0.209 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.449 -0.713 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.424 -1.704 2.793 1.00 0.00 H new ATOM 506 N CYS A 39 -8.836 2.620 2.788 1.00 0.00 N ATOM 507 CA CYS A 39 -8.833 3.747 3.711 1.00 0.00 C ATOM 508 C CYS A 39 -8.581 5.057 2.970 1.00 0.00 C ATOM 509 O CYS A 39 -8.959 6.131 3.439 1.00 0.00 O ATOM 510 CB CYS A 39 -7.768 3.547 4.791 1.00 0.00 C ATOM 511 SG CYS A 39 -6.058 3.583 4.165 1.00 0.00 S ATOM 0 H CYS A 39 -8.011 2.024 2.849 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.814 3.799 4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.883 4.323 5.548 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.942 2.591 5.286 1.00 0.00 H new ATOM 516 N HIS A 40 -7.940 4.960 1.810 1.00 0.00 N ATOM 517 CA HIS A 40 -7.638 6.137 1.002 1.00 0.00 C ATOM 518 C HIS A 40 -6.709 7.087 1.753 1.00 0.00 C ATOM 519 O HIS A 40 -6.832 8.306 1.642 1.00 0.00 O ATOM 520 CB HIS A 40 -8.927 6.862 0.618 1.00 0.00 C ATOM 521 CG HIS A 40 -9.659 6.221 -0.521 1.00 0.00 C ATOM 522 ND1 HIS A 40 -9.488 6.603 -1.835 1.00 0.00 N ATOM 523 CD2 HIS A 40 -10.567 5.218 -0.537 1.00 0.00 C ATOM 524 CE1 HIS A 40 -10.261 5.863 -2.610 1.00 0.00 C ATOM 525 NE2 HIS A 40 -10.926 5.014 -1.847 1.00 0.00 N ATOM 0 H HIS A 40 -7.620 4.079 1.408 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.133 5.805 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.585 6.900 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.689 7.892 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.940 4.678 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.336 5.939 -3.685 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.597 4.320 -2.177 1.00 0.00 H new ATOM 534 N ASN A 41 -5.781 6.520 2.517 1.00 0.00 N ATOM 535 CA ASN A 41 -4.833 7.317 3.287 1.00 0.00 C ATOM 536 C ASN A 41 -3.469 7.348 2.605 1.00 0.00 C ATOM 537 O ASN A 41 -3.049 6.368 1.987 1.00 0.00 O ATOM 538 CB ASN A 41 -4.696 6.755 4.703 1.00 0.00 C ATOM 539 CG ASN A 41 -5.936 6.993 5.543 1.00 0.00 C ATOM 540 OD1 ASN A 41 -7.005 6.454 5.257 1.00 0.00 O ATOM 541 ND2 ASN A 41 -5.798 7.803 6.586 1.00 0.00 N ATOM 0 H ASN A 41 -5.665 5.512 2.619 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.214 8.337 3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.498 5.685 4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.836 7.214 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.598 8.000 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.892 8.228 6.785 1.00 0.00 H new ATOM 548 N LEU A 42 -2.781 8.478 2.721 1.00 0.00 N ATOM 549 CA LEU A 42 -1.463 8.637 2.117 1.00 0.00 C ATOM 550 C LEU A 42 -0.387 7.983 2.978 1.00 0.00 C ATOM 551 O LEU A 42 -0.313 8.220 4.184 1.00 0.00 O ATOM 552 CB LEU A 42 -1.145 10.121 1.923 1.00 0.00 C ATOM 553 CG LEU A 42 -1.918 10.834 0.813 1.00 0.00 C ATOM 554 CD1 LEU A 42 -1.467 12.281 0.693 1.00 0.00 C ATOM 555 CD2 LEU A 42 -1.739 10.107 -0.512 1.00 0.00 C ATOM 0 H LEU A 42 -3.114 9.298 3.228 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.474 8.144 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.337 10.639 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.079 10.220 1.717 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.977 10.825 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.028 12.772 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.646 12.797 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.403 12.312 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.296 10.628 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.681 10.085 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.111 9.087 -0.420 1.00 0.00 H new ATOM 567 N TYR A 43 0.447 7.161 2.350 1.00 0.00 N ATOM 568 CA TYR A 43 1.519 6.473 3.058 1.00 0.00 C ATOM 569 C TYR A 43 2.835 6.581 2.292 1.00 0.00 C ATOM 570 O TYR A 43 2.971 6.049 1.190 1.00 0.00 O ATOM 571 CB TYR A 43 1.158 5.001 3.267 1.00 0.00 C ATOM 572 CG TYR A 43 0.295 4.757 4.485 1.00 0.00 C ATOM 573 CD1 TYR A 43 -1.091 4.806 4.400 1.00 0.00 C ATOM 574 CD2 TYR A 43 0.866 4.476 5.720 1.00 0.00 C ATOM 575 CE1 TYR A 43 -1.883 4.584 5.509 1.00 0.00 C ATOM 576 CE2 TYR A 43 0.082 4.252 6.835 1.00 0.00 C ATOM 577 CZ TYR A 43 -1.292 4.307 6.725 1.00 0.00 C ATOM 578 OH TYR A 43 -2.078 4.084 7.832 1.00 0.00 O ATOM 0 H TYR A 43 0.401 6.955 1.352 1.00 0.00 H new ATOM 0 HA TYR A 43 1.644 6.952 4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.636 4.634 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.076 4.420 3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.557 5.022 3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.941 4.432 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.959 4.627 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.542 4.035 7.788 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.507 3.902 8.607 1.00 0.00 H new ATOM 588 N HIS A 44 3.802 7.273 2.886 1.00 0.00 N ATOM 589 CA HIS A 44 5.108 7.452 2.262 1.00 0.00 C ATOM 590 C HIS A 44 5.766 6.103 1.985 1.00 0.00 C ATOM 591 O HIS A 44 5.949 5.294 2.894 1.00 0.00 O ATOM 592 CB HIS A 44 6.012 8.300 3.156 1.00 0.00 C ATOM 593 CG HIS A 44 5.995 9.758 2.815 1.00 0.00 C ATOM 594 ND1 HIS A 44 5.499 10.724 3.664 1.00 0.00 N ATOM 595 CD2 HIS A 44 6.419 10.413 1.709 1.00 0.00 C ATOM 596 CE1 HIS A 44 5.616 11.910 3.095 1.00 0.00 C ATOM 597 NE2 HIS A 44 6.172 11.749 1.907 1.00 0.00 N ATOM 0 H HIS A 44 3.706 7.719 3.798 1.00 0.00 H new ATOM 0 HA HIS A 44 4.963 7.968 1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.703 8.175 4.194 1.00 0.00 H new ATOM 0 HB3 HIS A 44 7.034 7.930 3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 44 6.868 9.968 0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.309 12.851 3.527 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.383 12.496 1.245 1.00 0.00 H new ATOM 605 N GLN A 45 6.118 5.870 0.725 1.00 0.00 N ATOM 606 CA GLN A 45 6.755 4.619 0.329 1.00 0.00 C ATOM 607 C GLN A 45 7.677 4.105 1.430 1.00 0.00 C ATOM 608 O GLN A 45 7.855 2.898 1.592 1.00 0.00 O ATOM 609 CB GLN A 45 7.545 4.811 -0.966 1.00 0.00 C ATOM 610 CG GLN A 45 6.666 4.994 -2.193 1.00 0.00 C ATOM 611 CD GLN A 45 7.470 5.192 -3.463 1.00 0.00 C ATOM 612 OE1 GLN A 45 8.701 5.229 -3.432 1.00 0.00 O ATOM 613 NE2 GLN A 45 6.778 5.320 -4.589 1.00 0.00 N ATOM 0 H GLN A 45 5.973 6.530 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 45 5.972 3.880 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.193 5.681 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.192 3.947 -1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.022 4.122 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.014 5.854 -2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.759 5.283 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.266 5.455 -5.475 1.00 0.00 H new ATOM 622 N ASP A 46 8.263 5.030 2.183 1.00 0.00 N ATOM 623 CA ASP A 46 9.167 4.671 3.270 1.00 0.00 C ATOM 624 C ASP A 46 8.401 4.486 4.576 1.00 0.00 C ATOM 625 O ASP A 46 8.365 3.390 5.137 1.00 0.00 O ATOM 626 CB ASP A 46 10.242 5.745 3.443 1.00 0.00 C ATOM 627 CG ASP A 46 11.206 5.424 4.567 1.00 0.00 C ATOM 628 OD1 ASP A 46 10.916 5.798 5.722 1.00 0.00 O ATOM 629 OD2 ASP A 46 12.252 4.798 4.292 1.00 0.00 O ATOM 0 H ASP A 46 8.128 6.034 2.061 1.00 0.00 H new ATOM 0 HA ASP A 46 9.646 3.726 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.798 5.852 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.764 6.704 3.641 1.00 0.00 H new ATOM 634 N CYS A 47 7.790 5.564 5.055 1.00 0.00 N ATOM 635 CA CYS A 47 7.025 5.521 6.296 1.00 0.00 C ATOM 636 C CYS A 47 6.299 4.187 6.442 1.00 0.00 C ATOM 637 O CYS A 47 6.271 3.598 7.523 1.00 0.00 O ATOM 638 CB CYS A 47 6.017 6.671 6.338 1.00 0.00 C ATOM 639 SG CYS A 47 6.771 8.314 6.564 1.00 0.00 S ATOM 0 H CYS A 47 7.809 6.478 4.603 1.00 0.00 H new ATOM 0 HA CYS A 47 7.722 5.627 7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.443 6.671 5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.312 6.492 7.150 1.00 0.00 H new ATOM 644 N HIS A 48 5.712 3.716 5.346 1.00 0.00 N ATOM 645 CA HIS A 48 4.985 2.452 5.351 1.00 0.00 C ATOM 646 C HIS A 48 5.904 1.299 5.745 1.00 0.00 C ATOM 647 O HIS A 48 7.124 1.384 5.595 1.00 0.00 O ATOM 648 CB HIS A 48 4.374 2.185 3.976 1.00 0.00 C ATOM 649 CG HIS A 48 3.103 1.393 4.028 1.00 0.00 C ATOM 650 ND1 HIS A 48 2.872 0.289 3.236 1.00 0.00 N ATOM 651 CD2 HIS A 48 1.993 1.551 4.786 1.00 0.00 C ATOM 652 CE1 HIS A 48 1.673 -0.198 3.503 1.00 0.00 C ATOM 653 NE2 HIS A 48 1.119 0.550 4.440 1.00 0.00 N ATOM 0 H HIS A 48 5.726 4.191 4.443 1.00 0.00 H new ATOM 0 HA HIS A 48 4.185 2.524 6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.179 3.137 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.100 1.651 3.362 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.524 -0.092 2.551 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.826 2.321 5.525 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.223 -1.061 3.035 1.00 0.00 H new ATOM 662 N LYS A 49 5.312 0.222 6.249 1.00 0.00 N ATOM 663 CA LYS A 49 6.076 -0.949 6.664 1.00 0.00 C ATOM 664 C LYS A 49 6.847 -1.540 5.488 1.00 0.00 C ATOM 665 O LYS A 49 8.076 -1.484 5.430 1.00 0.00 O ATOM 666 CB LYS A 49 5.144 -2.006 7.260 1.00 0.00 C ATOM 667 CG LYS A 49 5.077 -1.972 8.777 1.00 0.00 C ATOM 668 CD LYS A 49 4.623 -3.306 9.345 1.00 0.00 C ATOM 669 CE LYS A 49 3.112 -3.461 9.267 1.00 0.00 C ATOM 670 NZ LYS A 49 2.662 -4.778 9.798 1.00 0.00 N ATOM 0 H LYS A 49 4.304 0.135 6.380 1.00 0.00 H new ATOM 0 HA LYS A 49 6.792 -0.635 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.141 -1.863 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.478 -2.994 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.058 -1.719 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.390 -1.188 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.102 -4.118 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.945 -3.389 10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.635 -2.660 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.789 -3.357 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.627 -4.845 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.097 -5.543 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.948 -4.867 10.794 1.00 0.00 H new ATOM 684 N PRO A 50 6.112 -2.119 4.528 1.00 0.00 N ATOM 685 CA PRO A 50 6.706 -2.729 3.335 1.00 0.00 C ATOM 686 C PRO A 50 7.302 -1.693 2.389 1.00 0.00 C ATOM 687 O PRO A 50 6.577 -0.917 1.768 1.00 0.00 O ATOM 688 CB PRO A 50 5.523 -3.439 2.673 1.00 0.00 C ATOM 689 CG PRO A 50 4.322 -2.691 3.140 1.00 0.00 C ATOM 690 CD PRO A 50 4.643 -2.222 4.532 1.00 0.00 C ATOM 0 HA PRO A 50 7.533 -3.393 3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.606 -3.416 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.476 -4.487 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.108 -1.848 2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.439 -3.330 3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.174 -1.263 4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.292 -2.928 5.285 1.00 0.00 H new ATOM 698 N GLN A 51 8.628 -1.686 2.285 1.00 0.00 N ATOM 699 CA GLN A 51 9.320 -0.744 1.415 1.00 0.00 C ATOM 700 C GLN A 51 8.669 -0.696 0.036 1.00 0.00 C ATOM 701 O GLN A 51 8.866 -1.591 -0.786 1.00 0.00 O ATOM 702 CB GLN A 51 10.795 -1.129 1.282 1.00 0.00 C ATOM 703 CG GLN A 51 11.674 -0.555 2.381 1.00 0.00 C ATOM 704 CD GLN A 51 12.929 -1.374 2.612 1.00 0.00 C ATOM 705 OE1 GLN A 51 12.913 -2.600 2.499 1.00 0.00 O ATOM 706 NE2 GLN A 51 14.025 -0.700 2.937 1.00 0.00 N ATOM 0 H GLN A 51 9.243 -2.322 2.792 1.00 0.00 H new ATOM 0 HA GLN A 51 9.249 0.246 1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.881 -2.216 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.166 -0.787 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.954 0.466 2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.103 -0.503 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.993 0.316 3.020 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.899 -1.198 3.104 1.00 0.00 H new ATOM 715 N VAL A 52 7.892 0.354 -0.210 1.00 0.00 N ATOM 716 CA VAL A 52 7.213 0.519 -1.489 1.00 0.00 C ATOM 717 C VAL A 52 8.165 1.052 -2.553 1.00 0.00 C ATOM 718 O VAL A 52 8.910 2.004 -2.316 1.00 0.00 O ATOM 719 CB VAL A 52 6.011 1.475 -1.367 1.00 0.00 C ATOM 720 CG1 VAL A 52 5.209 1.492 -2.659 1.00 0.00 C ATOM 721 CG2 VAL A 52 5.133 1.078 -0.190 1.00 0.00 C ATOM 0 H VAL A 52 7.717 1.103 0.460 1.00 0.00 H new ATOM 0 HA VAL A 52 6.856 -0.467 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 52 6.386 2.482 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.364 2.173 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.845 1.827 -3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.842 0.488 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.289 1.764 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.765 0.063 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.716 1.123 0.730 1.00 0.00 H new ATOM 731 N THR A 53 8.137 0.432 -3.729 1.00 0.00 N ATOM 732 CA THR A 53 8.999 0.843 -4.830 1.00 0.00 C ATOM 733 C THR A 53 8.209 1.600 -5.893 1.00 0.00 C ATOM 734 O THR A 53 6.979 1.571 -5.903 1.00 0.00 O ATOM 735 CB THR A 53 9.689 -0.368 -5.485 1.00 0.00 C ATOM 736 OG1 THR A 53 8.708 -1.253 -6.036 1.00 0.00 O ATOM 737 CG2 THR A 53 10.544 -1.116 -4.473 1.00 0.00 C ATOM 0 H THR A 53 7.527 -0.357 -3.943 1.00 0.00 H new ATOM 0 HA THR A 53 9.759 1.501 -4.408 1.00 0.00 H new ATOM 0 HB THR A 53 10.335 -0.002 -6.283 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.156 -2.019 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.021 -1.967 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.309 -0.447 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.915 -1.470 -3.656 1.00 0.00 H new ATOM 745 N ASP A 54 8.925 2.274 -6.786 1.00 0.00 N ATOM 746 CA ASP A 54 8.291 3.037 -7.855 1.00 0.00 C ATOM 747 C ASP A 54 7.397 2.141 -8.706 1.00 0.00 C ATOM 748 O ASP A 54 6.218 2.432 -8.907 1.00 0.00 O ATOM 749 CB ASP A 54 9.351 3.704 -8.733 1.00 0.00 C ATOM 750 CG ASP A 54 10.036 4.862 -8.036 1.00 0.00 C ATOM 751 OD1 ASP A 54 9.479 5.980 -8.057 1.00 0.00 O ATOM 752 OD2 ASP A 54 11.129 4.652 -7.470 1.00 0.00 O ATOM 0 H ASP A 54 9.944 2.308 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 54 7.671 3.809 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.098 2.964 -9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.885 4.061 -9.652 1.00 0.00 H new ATOM 757 N LYS A 55 7.966 1.049 -9.205 1.00 0.00 N ATOM 758 CA LYS A 55 7.223 0.109 -10.035 1.00 0.00 C ATOM 759 C LYS A 55 5.766 0.026 -9.592 1.00 0.00 C ATOM 760 O LYS A 55 4.855 0.030 -10.419 1.00 0.00 O ATOM 761 CB LYS A 55 7.866 -1.278 -9.972 1.00 0.00 C ATOM 762 CG LYS A 55 9.364 -1.243 -9.722 1.00 0.00 C ATOM 763 CD LYS A 55 10.068 -0.300 -10.683 1.00 0.00 C ATOM 764 CE LYS A 55 11.450 0.083 -10.176 1.00 0.00 C ATOM 765 NZ LYS A 55 12.390 0.373 -11.294 1.00 0.00 N ATOM 0 H LYS A 55 8.941 0.793 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 55 7.252 0.470 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.387 -1.856 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.675 -1.801 -10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.555 -0.928 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.775 -2.247 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.156 -0.774 -11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.467 0.599 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.371 0.959 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.850 -0.727 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.321 0.630 -10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.486 -0.471 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.021 1.162 -11.862 1.00 0.00 H new ATOM 779 N GLU A 56 5.554 -0.047 -8.281 1.00 0.00 N ATOM 780 CA GLU A 56 4.207 -0.130 -7.729 1.00 0.00 C ATOM 781 C GLU A 56 3.414 1.138 -8.036 1.00 0.00 C ATOM 782 O GLU A 56 2.527 1.137 -8.889 1.00 0.00 O ATOM 783 CB GLU A 56 4.264 -0.354 -6.217 1.00 0.00 C ATOM 784 CG GLU A 56 4.683 -1.762 -5.826 1.00 0.00 C ATOM 785 CD GLU A 56 3.923 -2.830 -6.588 1.00 0.00 C ATOM 786 OE1 GLU A 56 2.846 -3.245 -6.110 1.00 0.00 O ATOM 787 OE2 GLU A 56 4.403 -3.250 -7.661 1.00 0.00 O ATOM 0 H GLU A 56 6.297 -0.050 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 56 3.703 -0.976 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.962 0.359 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.284 -0.144 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.751 -1.883 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.523 -1.901 -4.757 1.00 0.00 H new ATOM 794 N VAL A 57 3.741 2.218 -7.334 1.00 0.00 N ATOM 795 CA VAL A 57 3.061 3.493 -7.531 1.00 0.00 C ATOM 796 C VAL A 57 2.838 3.773 -9.012 1.00 0.00 C ATOM 797 O VAL A 57 1.824 4.354 -9.399 1.00 0.00 O ATOM 798 CB VAL A 57 3.860 4.656 -6.914 1.00 0.00 C ATOM 799 CG1 VAL A 57 3.728 4.650 -5.398 1.00 0.00 C ATOM 800 CG2 VAL A 57 5.321 4.578 -7.330 1.00 0.00 C ATOM 0 H VAL A 57 4.473 2.236 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 57 2.096 3.419 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 57 3.449 5.594 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.299 5.479 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.679 4.758 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.112 3.709 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.871 5.407 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.747 3.635 -6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.394 4.636 -8.416 1.00 0.00 H new ATOM 810 N ASN A 58 3.792 3.357 -9.838 1.00 0.00 N ATOM 811 CA ASN A 58 3.700 3.563 -11.279 1.00 0.00 C ATOM 812 C ASN A 58 2.513 2.804 -11.863 1.00 0.00 C ATOM 813 O ASN A 58 1.737 3.351 -12.647 1.00 0.00 O ATOM 814 CB ASN A 58 4.993 3.115 -11.963 1.00 0.00 C ATOM 815 CG ASN A 58 6.061 4.191 -11.943 1.00 0.00 C ATOM 816 OD1 ASN A 58 5.818 5.330 -12.341 1.00 0.00 O ATOM 817 ND2 ASN A 58 7.252 3.833 -11.477 1.00 0.00 N ATOM 0 H ASN A 58 4.638 2.875 -9.534 1.00 0.00 H new ATOM 0 HA ASN A 58 3.551 4.628 -11.459 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.372 2.221 -11.467 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.778 2.840 -12.995 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.010 4.514 -11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.408 2.877 -11.157 1.00 0.00 H new ATOM 824 N ASP A 59 2.377 1.540 -11.475 1.00 0.00 N ATOM 825 CA ASP A 59 1.284 0.705 -11.958 1.00 0.00 C ATOM 826 C ASP A 59 -0.066 1.349 -11.655 1.00 0.00 C ATOM 827 O ASP A 59 -0.504 1.420 -10.507 1.00 0.00 O ATOM 828 CB ASP A 59 1.355 -0.684 -11.321 1.00 0.00 C ATOM 829 CG ASP A 59 2.177 -1.656 -12.143 1.00 0.00 C ATOM 830 OD1 ASP A 59 2.252 -1.475 -13.377 1.00 0.00 O ATOM 831 OD2 ASP A 59 2.746 -2.598 -11.553 1.00 0.00 O ATOM 0 H ASP A 59 3.011 1.072 -10.827 1.00 0.00 H new ATOM 0 HA ASP A 59 1.385 0.606 -13.039 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.786 -0.601 -10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.346 -1.077 -11.201 1.00 0.00 H new ATOM 836 N PRO A 60 -0.742 1.830 -12.709 1.00 0.00 N ATOM 837 CA PRO A 60 -2.051 2.476 -12.581 1.00 0.00 C ATOM 838 C PRO A 60 -3.151 1.490 -12.202 1.00 0.00 C ATOM 839 O PRO A 60 -4.009 1.792 -11.373 1.00 0.00 O ATOM 840 CB PRO A 60 -2.303 3.046 -13.980 1.00 0.00 C ATOM 841 CG PRO A 60 -1.498 2.185 -14.890 1.00 0.00 C ATOM 842 CD PRO A 60 -0.281 1.778 -14.106 1.00 0.00 C ATOM 0 HA PRO A 60 -2.059 3.227 -11.791 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.362 3.012 -14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.993 4.089 -14.044 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.068 1.312 -15.207 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.217 2.727 -15.793 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.058 0.779 -14.380 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.554 2.457 -14.279 1.00 0.00 H new ATOM 850 N ARG A 61 -3.118 0.311 -12.814 1.00 0.00 N ATOM 851 CA ARG A 61 -4.112 -0.720 -12.540 1.00 0.00 C ATOM 852 C ARG A 61 -3.695 -1.575 -11.347 1.00 0.00 C ATOM 853 O ARG A 61 -4.031 -2.757 -11.270 1.00 0.00 O ATOM 854 CB ARG A 61 -4.312 -1.606 -13.771 1.00 0.00 C ATOM 855 CG ARG A 61 -4.678 -0.831 -15.027 1.00 0.00 C ATOM 856 CD ARG A 61 -4.934 -1.762 -16.201 1.00 0.00 C ATOM 857 NE ARG A 61 -3.718 -2.029 -16.964 1.00 0.00 N ATOM 858 CZ ARG A 61 -3.650 -2.915 -17.951 1.00 0.00 C ATOM 859 NH1 ARG A 61 -4.722 -3.615 -18.294 1.00 0.00 N ATOM 860 NH2 ARG A 61 -2.507 -3.102 -18.599 1.00 0.00 N ATOM 0 H ARG A 61 -2.414 0.046 -13.503 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.053 -0.226 -12.299 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.397 -2.169 -13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.097 -2.333 -13.561 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.567 -0.229 -14.838 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.873 -0.141 -15.278 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.346 -2.702 -15.835 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.684 -1.320 -16.857 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.875 -1.507 -16.726 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.603 -3.474 -17.799 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.666 -4.295 -19.053 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.680 -2.565 -18.339 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.456 -3.783 -19.357 1.00 0.00 H new ATOM 874 N LEU A 62 -2.962 -0.969 -10.419 1.00 0.00 N ATOM 875 CA LEU A 62 -2.499 -1.674 -9.230 1.00 0.00 C ATOM 876 C LEU A 62 -3.253 -1.205 -7.990 1.00 0.00 C ATOM 877 O LEU A 62 -3.381 -0.006 -7.745 1.00 0.00 O ATOM 878 CB LEU A 62 -0.996 -1.459 -9.038 1.00 0.00 C ATOM 879 CG LEU A 62 -0.453 -1.727 -7.634 1.00 0.00 C ATOM 880 CD1 LEU A 62 -0.258 -3.219 -7.413 1.00 0.00 C ATOM 881 CD2 LEU A 62 0.853 -0.978 -7.416 1.00 0.00 C ATOM 0 H LEU A 62 -2.676 0.009 -10.468 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.693 -2.737 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.465 -2.102 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.759 -0.430 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.181 -1.366 -6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.129 -3.391 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.213 -3.732 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.450 -3.606 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.225 -1.180 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.589 -1.309 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.682 0.092 -7.531 1.00 0.00 H new ATOM 893 N VAL A 63 -3.750 -2.160 -7.209 1.00 0.00 N ATOM 894 CA VAL A 63 -4.489 -1.845 -5.993 1.00 0.00 C ATOM 895 C VAL A 63 -3.580 -1.894 -4.769 1.00 0.00 C ATOM 896 O VAL A 63 -3.240 -2.971 -4.280 1.00 0.00 O ATOM 897 CB VAL A 63 -5.666 -2.816 -5.783 1.00 0.00 C ATOM 898 CG1 VAL A 63 -5.162 -4.245 -5.647 1.00 0.00 C ATOM 899 CG2 VAL A 63 -6.480 -2.411 -4.564 1.00 0.00 C ATOM 0 H VAL A 63 -3.654 -3.158 -7.397 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.879 -0.834 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.315 -2.767 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.008 -4.917 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.626 -4.530 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.490 -4.314 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.307 -3.108 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.844 -2.430 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.873 -1.404 -4.707 1.00 0.00 H new ATOM 909 N TRP A 64 -3.192 -0.722 -4.281 1.00 0.00 N ATOM 910 CA TRP A 64 -2.322 -0.631 -3.113 1.00 0.00 C ATOM 911 C TRP A 64 -3.140 -0.594 -1.827 1.00 0.00 C ATOM 912 O TRP A 64 -4.096 0.174 -1.709 1.00 0.00 O ATOM 913 CB TRP A 64 -1.438 0.614 -3.206 1.00 0.00 C ATOM 914 CG TRP A 64 -0.273 0.586 -2.264 1.00 0.00 C ATOM 915 CD1 TRP A 64 0.904 -0.086 -2.436 1.00 0.00 C ATOM 916 CD2 TRP A 64 -0.173 1.259 -1.004 1.00 0.00 C ATOM 917 NE1 TRP A 64 1.729 0.128 -1.358 1.00 0.00 N ATOM 918 CE2 TRP A 64 1.092 0.950 -0.467 1.00 0.00 C ATOM 919 CE3 TRP A 64 -1.028 2.093 -0.279 1.00 0.00 C ATOM 920 CZ2 TRP A 64 1.519 1.446 0.762 1.00 0.00 C ATOM 921 CZ3 TRP A 64 -0.602 2.584 0.941 1.00 0.00 C ATOM 922 CH2 TRP A 64 0.662 2.260 1.451 1.00 0.00 C ATOM 0 H TRP A 64 -3.465 0.178 -4.675 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.688 -1.517 -3.093 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.069 0.713 -4.227 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.043 1.497 -2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.150 -0.696 -3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.664 -0.262 -1.241 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.004 2.349 -0.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.493 1.197 1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.255 3.229 1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.966 2.661 2.407 1.00 0.00 H new ATOM 933 N TYR A 65 -2.759 -1.427 -0.865 1.00 0.00 N ATOM 934 CA TYR A 65 -3.459 -1.491 0.412 1.00 0.00 C ATOM 935 C TYR A 65 -2.483 -1.348 1.576 1.00 0.00 C ATOM 936 O TYR A 65 -1.497 -2.079 1.668 1.00 0.00 O ATOM 937 CB TYR A 65 -4.224 -2.810 0.533 1.00 0.00 C ATOM 938 CG TYR A 65 -5.499 -2.848 -0.280 1.00 0.00 C ATOM 939 CD1 TYR A 65 -6.432 -1.822 -0.193 1.00 0.00 C ATOM 940 CD2 TYR A 65 -5.769 -3.909 -1.135 1.00 0.00 C ATOM 941 CE1 TYR A 65 -7.598 -1.853 -0.933 1.00 0.00 C ATOM 942 CE2 TYR A 65 -6.932 -3.948 -1.880 1.00 0.00 C ATOM 943 CZ TYR A 65 -7.843 -2.917 -1.775 1.00 0.00 C ATOM 944 OH TYR A 65 -9.003 -2.951 -2.515 1.00 0.00 O ATOM 0 H TYR A 65 -1.969 -2.067 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.167 -0.663 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.576 -3.627 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.466 -2.985 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.242 -0.986 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.058 -4.717 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.314 -1.048 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.127 -4.780 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.021 -3.767 -3.057 1.00 0.00 H new ATOM 954 N CYS A 66 -2.767 -0.400 2.464 1.00 0.00 N ATOM 955 CA CYS A 66 -1.916 -0.159 3.623 1.00 0.00 C ATOM 956 C CYS A 66 -2.158 -1.209 4.703 1.00 0.00 C ATOM 957 O CYS A 66 -3.290 -1.638 4.924 1.00 0.00 O ATOM 958 CB CYS A 66 -2.174 1.239 4.188 1.00 0.00 C ATOM 959 SG CYS A 66 -3.754 1.401 5.080 1.00 0.00 S ATOM 0 H CYS A 66 -3.580 0.213 2.403 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.877 -0.228 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.360 1.502 4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.156 1.959 3.370 1.00 0.00 H new ATOM 964 N ALA A 67 -1.086 -1.617 5.374 1.00 0.00 N ATOM 965 CA ALA A 67 -1.181 -2.615 6.432 1.00 0.00 C ATOM 966 C ALA A 67 -2.467 -2.444 7.234 1.00 0.00 C ATOM 967 O ALA A 67 -3.261 -3.376 7.358 1.00 0.00 O ATOM 968 CB ALA A 67 0.030 -2.529 7.349 1.00 0.00 C ATOM 0 H ALA A 67 -0.142 -1.272 5.204 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.202 -3.601 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.054 -3.280 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.937 -2.708 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.076 -1.537 7.799 1.00 0.00 H new ATOM 974 N ARG A 68 -2.665 -1.247 7.777 1.00 0.00 N ATOM 975 CA ARG A 68 -3.854 -0.954 8.569 1.00 0.00 C ATOM 976 C ARG A 68 -5.066 -1.706 8.027 1.00 0.00 C ATOM 977 O ARG A 68 -5.857 -2.262 8.789 1.00 0.00 O ATOM 978 CB ARG A 68 -4.133 0.550 8.573 1.00 0.00 C ATOM 979 CG ARG A 68 -3.456 1.291 9.714 1.00 0.00 C ATOM 980 CD ARG A 68 -4.127 0.996 11.046 1.00 0.00 C ATOM 981 NE ARG A 68 -3.756 1.966 12.073 1.00 0.00 N ATOM 982 CZ ARG A 68 -2.549 2.026 12.625 1.00 0.00 C ATOM 983 NH1 ARG A 68 -1.602 1.177 12.250 1.00 0.00 N ATOM 984 NH2 ARG A 68 -2.288 2.938 13.553 1.00 0.00 N ATOM 0 H ARG A 68 -2.018 -0.464 7.683 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.670 -1.284 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.800 0.975 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.209 0.711 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.406 1.004 9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.485 2.363 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.209 1.002 10.916 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.851 -0.005 11.377 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.462 2.634 12.383 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.799 0.476 11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.676 1.225 12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.014 3.593 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.361 2.984 13.977 1.00 0.00 H new ATOM 998 N CYS A 69 -5.207 -1.717 6.705 1.00 0.00 N ATOM 999 CA CYS A 69 -6.322 -2.398 6.060 1.00 0.00 C ATOM 1000 C CYS A 69 -6.028 -3.887 5.894 1.00 0.00 C ATOM 1001 O CYS A 69 -6.856 -4.736 6.228 1.00 0.00 O ATOM 1002 CB CYS A 69 -6.611 -1.769 4.696 1.00 0.00 C ATOM 1003 SG CYS A 69 -7.272 -0.074 4.783 1.00 0.00 S ATOM 0 H CYS A 69 -4.562 -1.261 6.060 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.200 -2.288 6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.692 -1.759 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.323 -2.398 4.161 1.00 0.00 H new ATOM 1008 N THR A 70 -4.844 -4.196 5.376 1.00 0.00 N ATOM 1009 CA THR A 70 -4.440 -5.581 5.165 1.00 0.00 C ATOM 1010 C THR A 70 -4.724 -6.430 6.399 1.00 0.00 C ATOM 1011 O THR A 70 -5.162 -7.575 6.288 1.00 0.00 O ATOM 1012 CB THR A 70 -2.943 -5.682 4.818 1.00 0.00 C ATOM 1013 OG1 THR A 70 -2.602 -4.708 3.826 1.00 0.00 O ATOM 1014 CG2 THR A 70 -2.599 -7.074 4.309 1.00 0.00 C ATOM 0 H THR A 70 -4.148 -3.506 5.095 1.00 0.00 H new ATOM 0 HA THR A 70 -5.025 -5.958 4.326 1.00 0.00 H new ATOM 0 HB THR A 70 -2.369 -5.491 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.648 -4.778 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.537 -7.122 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.832 -7.810 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.182 -7.288 3.413 1.00 0.00 H new ATOM 1022 N ARG A 71 -4.471 -5.862 7.573 1.00 0.00 N ATOM 1023 CA ARG A 71 -4.699 -6.569 8.828 1.00 0.00 C ATOM 1024 C ARG A 71 -6.189 -6.642 9.148 1.00 0.00 C ATOM 1025 O ARG A 71 -6.663 -7.626 9.715 1.00 0.00 O ATOM 1026 CB ARG A 71 -3.955 -5.875 9.971 1.00 0.00 C ATOM 1027 CG ARG A 71 -4.533 -4.518 10.338 1.00 0.00 C ATOM 1028 CD ARG A 71 -3.769 -3.881 11.489 1.00 0.00 C ATOM 1029 NE ARG A 71 -3.832 -4.691 12.702 1.00 0.00 N ATOM 1030 CZ ARG A 71 -4.839 -4.642 13.567 1.00 0.00 C ATOM 1031 NH1 ARG A 71 -5.862 -3.827 13.353 1.00 0.00 N ATOM 1032 NH2 ARG A 71 -4.823 -5.410 14.649 1.00 0.00 N ATOM 0 H ARG A 71 -4.108 -4.915 7.682 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.318 -7.584 8.718 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.975 -6.519 10.850 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.909 -5.751 9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.500 -3.860 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.582 -4.630 10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.727 -3.742 11.200 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.178 -2.891 11.692 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.061 -5.329 12.896 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.878 -3.235 12.522 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.634 -3.792 14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.037 -6.038 14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.596 -5.372 15.313 1.00 0.00 H new ATOM 1046 N GLN A 72 -6.921 -5.596 8.779 1.00 0.00 N ATOM 1047 CA GLN A 72 -8.356 -5.542 9.028 1.00 0.00 C ATOM 1048 C GLN A 72 -9.084 -6.638 8.256 1.00 0.00 C ATOM 1049 O GLN A 72 -9.646 -7.559 8.848 1.00 0.00 O ATOM 1050 CB GLN A 72 -8.912 -4.171 8.638 1.00 0.00 C ATOM 1051 CG GLN A 72 -8.643 -3.089 9.671 1.00 0.00 C ATOM 1052 CD GLN A 72 -9.719 -3.019 10.736 1.00 0.00 C ATOM 1053 OE1 GLN A 72 -9.554 -3.544 11.837 1.00 0.00 O ATOM 1054 NE2 GLN A 72 -10.830 -2.368 10.414 1.00 0.00 N ATOM 0 H GLN A 72 -6.544 -4.775 8.307 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.521 -5.703 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.476 -3.869 7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.988 -4.255 8.484 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.679 -3.276 10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.570 -2.124 9.170 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.925 -1.948 9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.589 -2.288 11.091 1.00 0.00 H new ATOM 1063 N MET A 73 -9.070 -6.530 6.931 1.00 0.00 N ATOM 1064 CA MET A 73 -9.728 -7.513 6.078 1.00 0.00 C ATOM 1065 C MET A 73 -9.462 -8.930 6.576 1.00 0.00 C ATOM 1066 O MET A 73 -10.316 -9.810 6.464 1.00 0.00 O ATOM 1067 CB MET A 73 -9.247 -7.369 4.633 1.00 0.00 C ATOM 1068 CG MET A 73 -9.538 -6.005 4.029 1.00 0.00 C ATOM 1069 SD MET A 73 -9.504 -6.022 2.226 1.00 0.00 S ATOM 1070 CE MET A 73 -8.494 -4.581 1.893 1.00 0.00 C ATOM 0 H MET A 73 -8.611 -5.772 6.425 1.00 0.00 H new ATOM 0 HA MET A 73 -10.802 -7.329 6.116 1.00 0.00 H new ATOM 0 HB2 MET A 73 -8.173 -7.552 4.596 1.00 0.00 H new ATOM 0 HB3 MET A 73 -9.722 -8.137 4.022 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.516 -5.664 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.805 -5.286 4.396 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.381 -4.457 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.973 -3.696 2.312 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.512 -4.712 2.349 1.00 0.00 H new ATOM 1080 N LYS A 74 -8.272 -9.145 7.127 1.00 0.00 N ATOM 1081 CA LYS A 74 -7.893 -10.455 7.643 1.00 0.00 C ATOM 1082 C LYS A 74 -8.753 -10.837 8.844 1.00 0.00 C ATOM 1083 O LYS A 74 -9.214 -11.973 8.953 1.00 0.00 O ATOM 1084 CB LYS A 74 -6.415 -10.462 8.039 1.00 0.00 C ATOM 1085 CG LYS A 74 -5.485 -10.873 6.911 1.00 0.00 C ATOM 1086 CD LYS A 74 -4.026 -10.694 7.297 1.00 0.00 C ATOM 1087 CE LYS A 74 -3.100 -11.402 6.320 1.00 0.00 C ATOM 1088 NZ LYS A 74 -1.676 -11.020 6.529 1.00 0.00 N ATOM 0 H LYS A 74 -7.553 -8.428 7.228 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.055 -11.189 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.135 -9.467 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.276 -11.142 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.668 -11.915 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.703 -10.279 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.784 -9.632 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.864 -11.084 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.207 -12.481 6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.395 -11.159 5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.077 -11.524 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.568 -9.994 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.386 -11.275 7.495 1.00 0.00 H new ATOM 1102 N ARG A 75 -8.966 -9.880 9.741 1.00 0.00 N ATOM 1103 CA ARG A 75 -9.771 -10.116 10.934 1.00 0.00 C ATOM 1104 C ARG A 75 -11.138 -10.683 10.563 1.00 0.00 C ATOM 1105 O ARG A 75 -11.589 -11.672 11.141 1.00 0.00 O ATOM 1106 CB ARG A 75 -9.943 -8.818 11.724 1.00 0.00 C ATOM 1107 CG ARG A 75 -8.628 -8.145 12.084 1.00 0.00 C ATOM 1108 CD ARG A 75 -8.763 -7.295 13.338 1.00 0.00 C ATOM 1109 NE ARG A 75 -8.737 -8.104 14.553 1.00 0.00 N ATOM 1110 CZ ARG A 75 -9.830 -8.541 15.169 1.00 0.00 C ATOM 1111 NH1 ARG A 75 -11.029 -8.248 14.684 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -9.725 -9.272 16.271 1.00 0.00 N ATOM 0 H ARG A 75 -8.593 -8.934 9.665 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.250 -10.845 11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.548 -8.125 11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.495 -9.030 12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.860 -8.903 12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.298 -7.521 11.254 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.953 -6.566 13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.696 -6.733 13.296 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.830 -8.347 14.951 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.113 -7.686 13.837 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.867 -8.584 15.158 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.804 -9.499 16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.565 -9.607 16.743 1.00 0.00 H new ATOM 1126 N MET A 76 -11.793 -10.050 9.595 1.00 0.00 N ATOM 1127 CA MET A 76 -13.108 -10.493 9.146 1.00 0.00 C ATOM 1128 C MET A 76 -13.945 -10.987 10.322 1.00 0.00 C ATOM 1129 O MET A 76 -14.706 -11.946 10.194 1.00 0.00 O ATOM 1130 CB MET A 76 -12.968 -11.602 8.102 1.00 0.00 C ATOM 1131 CG MET A 76 -14.085 -11.610 7.071 1.00 0.00 C ATOM 1132 SD MET A 76 -13.697 -10.611 5.620 1.00 0.00 S ATOM 1133 CE MET A 76 -15.312 -10.484 4.855 1.00 0.00 C ATOM 0 H MET A 76 -11.435 -9.229 9.107 1.00 0.00 H new ATOM 0 HA MET A 76 -13.616 -9.641 8.693 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.013 -11.489 7.590 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.946 -12.567 8.609 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.280 -12.636 6.759 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.001 -11.237 7.530 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.237 -9.893 3.942 1.00 0.00 H new ATOM 0 HE2 MET A 76 -15.679 -11.481 4.612 1.00 0.00 H new ATOM 0 HE3 MET A 76 -16.004 -10.001 5.544 1.00 0.00 H new ATOM 1143 N ALA A 77 -13.799 -10.327 11.466 1.00 0.00 N ATOM 1144 CA ALA A 77 -14.543 -10.698 12.663 1.00 0.00 C ATOM 1145 C ALA A 77 -15.746 -9.784 12.868 1.00 0.00 C ATOM 1146 O ALA A 77 -16.015 -9.339 13.983 1.00 0.00 O ATOM 1147 CB ALA A 77 -13.634 -10.660 13.882 1.00 0.00 C ATOM 0 H ALA A 77 -13.172 -9.532 11.589 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.912 -11.715 12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.203 -10.939 14.769 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.810 -11.360 13.744 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.236 -9.653 14.008 1.00 0.00 H new ATOM 1153 N GLN A 78 -16.464 -9.506 11.784 1.00 0.00 N ATOM 1154 CA GLN A 78 -17.637 -8.643 11.847 1.00 0.00 C ATOM 1155 C GLN A 78 -18.892 -9.397 11.419 1.00 0.00 C ATOM 1156 O GLN A 78 -18.812 -10.424 10.745 1.00 0.00 O ATOM 1157 CB GLN A 78 -17.440 -7.413 10.958 1.00 0.00 C ATOM 1158 CG GLN A 78 -16.442 -6.413 11.517 1.00 0.00 C ATOM 1159 CD GLN A 78 -16.081 -5.329 10.521 1.00 0.00 C ATOM 1160 OE1 GLN A 78 -15.650 -5.615 9.403 1.00 0.00 O ATOM 1161 NE2 GLN A 78 -16.257 -4.075 10.920 1.00 0.00 N ATOM 0 H GLN A 78 -16.254 -9.866 10.853 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.763 -8.320 12.880 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -17.104 -7.737 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -18.401 -6.917 10.820 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -16.858 -5.953 12.414 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -15.537 -6.939 11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.617 -3.883 11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.033 -3.304 10.292 1.00 0.00 H new ATOM 1170 N LYS A 79 -20.050 -8.882 11.817 1.00 0.00 N ATOM 1171 CA LYS A 79 -21.323 -9.506 11.475 1.00 0.00 C ATOM 1172 C LYS A 79 -21.667 -9.271 10.008 1.00 0.00 C ATOM 1173 O LYS A 79 -22.074 -8.175 9.624 1.00 0.00 O ATOM 1174 CB LYS A 79 -22.439 -8.957 12.366 1.00 0.00 C ATOM 1175 CG LYS A 79 -23.751 -9.710 12.232 1.00 0.00 C ATOM 1176 CD LYS A 79 -24.853 -9.062 13.053 1.00 0.00 C ATOM 1177 CE LYS A 79 -25.991 -10.034 13.325 1.00 0.00 C ATOM 1178 NZ LYS A 79 -25.635 -11.024 14.380 1.00 0.00 N ATOM 0 H LYS A 79 -20.134 -8.034 12.377 1.00 0.00 H new ATOM 0 HA LYS A 79 -21.229 -10.579 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -22.113 -8.994 13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -22.605 -7.908 12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.048 -9.741 11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.614 -10.742 12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -24.443 -8.707 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -25.237 -8.190 12.524 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -26.877 -9.479 13.632 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -26.247 -10.560 12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -26.481 -11.569 14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -24.906 -11.671 14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -25.269 -10.524 15.216 1.00 0.00 H new ATOM 1192 N ASN A 80 -21.503 -10.308 9.193 1.00 0.00 N ATOM 1193 CA ASN A 80 -21.798 -10.214 7.767 1.00 0.00 C ATOM 1194 C ASN A 80 -23.129 -9.506 7.533 1.00 0.00 C ATOM 1195 O ASN A 80 -24.072 -9.665 8.308 1.00 0.00 O ATOM 1196 CB ASN A 80 -21.831 -11.608 7.139 1.00 0.00 C ATOM 1197 CG ASN A 80 -22.652 -12.590 7.953 1.00 0.00 C ATOM 1198 OD1 ASN A 80 -23.756 -12.274 8.397 1.00 0.00 O ATOM 1199 ND2 ASN A 80 -22.116 -13.788 8.152 1.00 0.00 N ATOM 0 H ASN A 80 -21.168 -11.223 9.495 1.00 0.00 H new ATOM 0 HA ASN A 80 -21.008 -9.630 7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -22.244 -11.540 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -20.812 -11.984 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -22.622 -14.490 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -21.198 -14.007 7.765 1.00 0.00 H new ATOM 1206 N GLN A 81 -23.197 -8.727 6.458 1.00 0.00 N ATOM 1207 CA GLN A 81 -24.413 -7.996 6.122 1.00 0.00 C ATOM 1208 C GLN A 81 -24.544 -7.822 4.612 1.00 0.00 C ATOM 1209 O GLN A 81 -23.547 -7.800 3.890 1.00 0.00 O ATOM 1210 CB GLN A 81 -24.417 -6.628 6.807 1.00 0.00 C ATOM 1211 CG GLN A 81 -25.763 -5.925 6.755 1.00 0.00 C ATOM 1212 CD GLN A 81 -26.850 -6.691 7.483 1.00 0.00 C ATOM 1213 OE1 GLN A 81 -26.641 -7.185 8.591 1.00 0.00 O ATOM 1214 NE2 GLN A 81 -28.019 -6.795 6.862 1.00 0.00 N ATOM 0 H GLN A 81 -22.426 -8.586 5.806 1.00 0.00 H new ATOM 0 HA GLN A 81 -25.265 -8.575 6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -24.121 -6.752 7.849 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -23.667 -5.993 6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -25.667 -4.932 7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -26.056 -5.786 5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -28.148 -6.370 5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -28.788 -7.300 7.303 1.00 0.00 H new ATOM 1223 N LYS A 82 -25.780 -7.699 4.141 1.00 0.00 N ATOM 1224 CA LYS A 82 -26.043 -7.527 2.717 1.00 0.00 C ATOM 1225 C LYS A 82 -25.685 -6.115 2.265 1.00 0.00 C ATOM 1226 O LYS A 82 -26.536 -5.227 2.239 1.00 0.00 O ATOM 1227 CB LYS A 82 -27.514 -7.814 2.411 1.00 0.00 C ATOM 1228 CG LYS A 82 -27.879 -9.286 2.503 1.00 0.00 C ATOM 1229 CD LYS A 82 -27.274 -10.084 1.361 1.00 0.00 C ATOM 1230 CE LYS A 82 -28.205 -10.130 0.159 1.00 0.00 C ATOM 1231 NZ LYS A 82 -28.380 -8.786 -0.459 1.00 0.00 N ATOM 0 H LYS A 82 -26.616 -7.715 4.725 1.00 0.00 H new ATOM 0 HA LYS A 82 -25.420 -8.234 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -28.137 -7.250 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -27.745 -7.453 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -27.531 -9.689 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -28.964 -9.394 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -26.323 -9.639 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -27.062 -11.099 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -27.806 -10.822 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -29.176 -10.518 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -28.755 -8.893 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -29.046 -8.226 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -27.462 -8.299 -0.497 1.00 0.00 H new ATOM 1245 N SER A 83 -24.420 -5.915 1.908 1.00 0.00 N ATOM 1246 CA SER A 83 -23.949 -4.611 1.459 1.00 0.00 C ATOM 1247 C SER A 83 -23.341 -4.704 0.063 1.00 0.00 C ATOM 1248 O SER A 83 -23.795 -4.042 -0.870 1.00 0.00 O ATOM 1249 CB SER A 83 -22.918 -4.051 2.441 1.00 0.00 C ATOM 1250 OG SER A 83 -22.487 -2.760 2.047 1.00 0.00 O ATOM 0 H SER A 83 -23.703 -6.640 1.921 1.00 0.00 H new ATOM 0 HA SER A 83 -24.805 -3.937 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.351 -4.004 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.061 -4.723 2.496 1.00 0.00 H new ATOM 0 HG SER A 83 -21.830 -2.424 2.692 1.00 0.00 H new ATOM 1256 N GLY A 84 -22.308 -5.530 -0.072 1.00 0.00 N ATOM 1257 CA GLY A 84 -21.653 -5.696 -1.357 1.00 0.00 C ATOM 1258 C GLY A 84 -20.177 -5.354 -1.303 1.00 0.00 C ATOM 1259 O GLY A 84 -19.764 -4.240 -1.625 1.00 0.00 O ATOM 0 H GLY A 84 -21.913 -6.087 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.772 -6.726 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -22.143 -5.062 -2.096 1.00 0.00 H new ATOM 1263 N PRO A 85 -19.355 -6.328 -0.886 1.00 0.00 N ATOM 1264 CA PRO A 85 -17.904 -6.148 -0.780 1.00 0.00 C ATOM 1265 C PRO A 85 -17.233 -6.032 -2.145 1.00 0.00 C ATOM 1266 O PRO A 85 -17.776 -6.482 -3.154 1.00 0.00 O ATOM 1267 CB PRO A 85 -17.440 -7.419 -0.063 1.00 0.00 C ATOM 1268 CG PRO A 85 -18.482 -8.435 -0.382 1.00 0.00 C ATOM 1269 CD PRO A 85 -19.778 -7.681 -0.487 1.00 0.00 C ATOM 0 HA PRO A 85 -17.645 -5.228 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -16.458 -7.735 -0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.358 -7.260 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.253 -8.949 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.536 -9.196 0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -20.444 -8.128 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -20.315 -7.671 0.462 1.00 0.00 H new ATOM 1277 N SER A 86 -16.051 -5.425 -2.168 1.00 0.00 N ATOM 1278 CA SER A 86 -15.308 -5.247 -3.410 1.00 0.00 C ATOM 1279 C SER A 86 -14.923 -6.595 -4.012 1.00 0.00 C ATOM 1280 O SER A 86 -15.171 -7.645 -3.419 1.00 0.00 O ATOM 1281 CB SER A 86 -14.051 -4.410 -3.161 1.00 0.00 C ATOM 1282 OG SER A 86 -14.370 -3.194 -2.506 1.00 0.00 O ATOM 0 H SER A 86 -15.587 -5.048 -1.341 1.00 0.00 H new ATOM 0 HA SER A 86 -15.952 -4.724 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.345 -4.979 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.558 -4.197 -4.110 1.00 0.00 H new ATOM 0 HG SER A 86 -13.550 -2.678 -2.357 1.00 0.00 H new ATOM 1288 N SER A 87 -14.316 -6.557 -5.194 1.00 0.00 N ATOM 1289 CA SER A 87 -13.901 -7.775 -5.879 1.00 0.00 C ATOM 1290 C SER A 87 -12.486 -8.173 -5.470 1.00 0.00 C ATOM 1291 O SER A 87 -12.207 -9.345 -5.219 1.00 0.00 O ATOM 1292 CB SER A 87 -13.970 -7.581 -7.395 1.00 0.00 C ATOM 1293 OG SER A 87 -12.937 -6.722 -7.847 1.00 0.00 O ATOM 0 H SER A 87 -14.101 -5.696 -5.697 1.00 0.00 H new ATOM 0 HA SER A 87 -14.583 -8.575 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.887 -8.547 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.939 -7.164 -7.668 1.00 0.00 H new ATOM 0 HG SER A 87 -13.002 -6.616 -8.819 1.00 0.00 H new ATOM 1299 N GLY A 88 -11.596 -7.187 -5.404 1.00 0.00 N ATOM 1300 CA GLY A 88 -10.221 -7.453 -5.025 1.00 0.00 C ATOM 1301 C GLY A 88 -10.112 -8.124 -3.670 1.00 0.00 C ATOM 1302 O GLY A 88 -9.834 -7.441 -2.685 1.00 0.00 O ATOM 0 H GLY A 88 -11.803 -6.209 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.756 -8.087 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.664 -6.516 -5.009 1.00 0.00 H new TER 1306 GLY A 88 HETATM 1307 ZN ZN A 201 5.523 10.158 5.992 1.00 0.00 ZN HETATM 1308 ZN ZN A 401 -5.669 1.282 3.794 1.00 0.00 ZN