USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.00295 K(o=1.2,f=0.29) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 156:sc= 1.17 (180deg=0.344) USER MOD Set 3.1: A 1 GLY N :NH3+ -109:sc= 0.075 (180deg=0) USER MOD Set 3.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 166:sc= 0 (180deg=-0.0911) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.961 K(o=-0.96,f=-11!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.207 K(o=0.21,f=-3.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.63 K(o=-2.6,f=-7.1!) USER MOD Single : A 26 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.76) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 87:sc= 0.0999 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.1!) USER MOD Single : A 46 THR OG1 : rot 72:sc= 0.995 USER MOD Single : A 52 GLN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 60 SER OG : rot -15:sc= -1.55 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.068 USER MOD Single : A 71 THR OG1 : rot 38:sc=0.000205 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.965 -10.508 -5.917 1.00 0.00 N ATOM 2 CA GLY A 1 0.975 -9.457 -6.285 1.00 0.00 C ATOM 3 C GLY A 1 -0.454 -9.898 -6.043 1.00 0.00 C ATOM 4 O GLY A 1 -0.721 -11.084 -5.848 1.00 0.00 O ATOM 0 H1 GLY A 1 2.475 -10.219 -5.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.469 -11.405 -5.741 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.643 -10.634 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.176 -8.554 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.099 -9.197 -7.336 1.00 0.00 H new ATOM 10 N SER A 2 -1.376 -8.941 -6.055 1.00 0.00 N ATOM 11 CA SER A 2 -2.788 -9.237 -5.836 1.00 0.00 C ATOM 12 C SER A 2 -3.565 -9.189 -7.148 1.00 0.00 C ATOM 13 O SER A 2 -3.065 -8.696 -8.159 1.00 0.00 O ATOM 14 CB SER A 2 -3.388 -8.245 -4.836 1.00 0.00 C ATOM 15 OG SER A 2 -4.213 -8.908 -3.892 1.00 0.00 O ATOM 0 H SER A 2 -1.171 -7.954 -6.214 1.00 0.00 H new ATOM 0 HA SER A 2 -2.864 -10.245 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.587 -7.718 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.971 -7.494 -5.369 1.00 0.00 H new ATOM 0 HG SER A 2 -4.583 -8.253 -3.264 1.00 0.00 H new ATOM 21 N GLU A 3 -4.789 -9.707 -7.123 1.00 0.00 N ATOM 22 CA GLU A 3 -5.635 -9.723 -8.312 1.00 0.00 C ATOM 23 C GLU A 3 -6.954 -9.002 -8.051 1.00 0.00 C ATOM 24 O GLU A 3 -7.571 -9.178 -7.001 1.00 0.00 O ATOM 25 CB GLU A 3 -5.906 -11.164 -8.749 1.00 0.00 C ATOM 26 CG GLU A 3 -4.643 -11.965 -9.021 1.00 0.00 C ATOM 27 CD GLU A 3 -4.485 -12.329 -10.485 1.00 0.00 C ATOM 28 OE1 GLU A 3 -5.030 -13.373 -10.900 1.00 0.00 O ATOM 29 OE2 GLU A 3 -3.816 -11.569 -11.216 1.00 0.00 O ATOM 0 H GLU A 3 -5.217 -10.120 -6.294 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.108 -9.200 -9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.485 -11.667 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.520 -11.152 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.776 -11.389 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.660 -12.877 -8.424 1.00 0.00 H new ATOM 36 N GLY A 4 -7.379 -8.190 -9.013 1.00 0.00 N ATOM 37 CA GLY A 4 -8.622 -7.455 -8.868 1.00 0.00 C ATOM 38 C GLY A 4 -8.415 -6.079 -8.267 1.00 0.00 C ATOM 39 O GLY A 4 -8.580 -5.066 -8.946 1.00 0.00 O ATOM 0 H GLY A 4 -6.885 -8.028 -9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.097 -7.354 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.306 -8.024 -8.238 1.00 0.00 H new ATOM 43 N ALA A 5 -8.053 -6.043 -6.989 1.00 0.00 N ATOM 44 CA ALA A 5 -7.824 -4.780 -6.295 1.00 0.00 C ATOM 45 C ALA A 5 -9.086 -3.925 -6.282 1.00 0.00 C ATOM 46 O ALA A 5 -9.454 -3.327 -7.292 1.00 0.00 O ATOM 47 CB ALA A 5 -6.677 -4.022 -6.946 1.00 0.00 C ATOM 0 H ALA A 5 -7.912 -6.873 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.558 -5.003 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.517 -3.082 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.770 -4.624 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.922 -3.816 -7.988 1.00 0.00 H new ATOM 53 N ALA A 6 -9.746 -3.873 -5.130 1.00 0.00 N ATOM 54 CA ALA A 6 -10.967 -3.090 -4.984 1.00 0.00 C ATOM 55 C ALA A 6 -10.655 -1.607 -4.825 1.00 0.00 C ATOM 56 O ALA A 6 -9.496 -1.197 -4.890 1.00 0.00 O ATOM 57 CB ALA A 6 -11.776 -3.591 -3.796 1.00 0.00 C ATOM 0 H ALA A 6 -9.456 -4.364 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.558 -3.214 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.685 -2.997 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.040 -4.637 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.183 -3.498 -2.886 1.00 0.00 H new ATOM 63 N THR A 7 -11.694 -0.807 -4.616 1.00 0.00 N ATOM 64 CA THR A 7 -11.530 0.632 -4.448 1.00 0.00 C ATOM 65 C THR A 7 -11.651 1.026 -2.979 1.00 0.00 C ATOM 66 O THR A 7 -12.755 1.184 -2.458 1.00 0.00 O ATOM 67 CB THR A 7 -12.570 1.387 -5.279 1.00 0.00 C ATOM 68 OG1 THR A 7 -12.613 2.754 -4.908 1.00 0.00 O ATOM 69 CG2 THR A 7 -13.970 0.828 -5.136 1.00 0.00 C ATOM 0 H THR A 7 -12.660 -1.131 -4.559 1.00 0.00 H new ATOM 0 HA THR A 7 -10.533 0.901 -4.797 1.00 0.00 H new ATOM 0 HB THR A 7 -12.253 1.269 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.283 3.220 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.658 1.408 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.982 -0.212 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.280 0.885 -4.092 1.00 0.00 H new ATOM 77 N MET A 8 -10.509 1.182 -2.318 1.00 0.00 N ATOM 78 CA MET A 8 -10.487 1.558 -0.909 1.00 0.00 C ATOM 79 C MET A 8 -11.039 2.967 -0.713 1.00 0.00 C ATOM 80 O MET A 8 -11.085 3.761 -1.653 1.00 0.00 O ATOM 81 CB MET A 8 -9.062 1.475 -0.359 1.00 0.00 C ATOM 82 CG MET A 8 -8.528 0.055 -0.265 1.00 0.00 C ATOM 83 SD MET A 8 -6.771 -0.053 -0.657 1.00 0.00 S ATOM 84 CE MET A 8 -6.339 -1.591 0.154 1.00 0.00 C ATOM 0 H MET A 8 -9.587 1.054 -2.735 1.00 0.00 H new ATOM 0 HA MET A 8 -11.121 0.859 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.401 2.062 -0.997 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.036 1.930 0.631 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.696 -0.326 0.742 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.088 -0.586 -0.946 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.362 -1.925 -0.196 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.304 -1.436 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.087 -2.348 -0.080 1.00 0.00 H new ATOM 94 N THR A 9 -11.455 3.269 0.511 1.00 0.00 N ATOM 95 CA THR A 9 -12.004 4.582 0.830 1.00 0.00 C ATOM 96 C THR A 9 -10.902 5.539 1.273 1.00 0.00 C ATOM 97 O THR A 9 -9.754 5.136 1.461 1.00 0.00 O ATOM 98 CB THR A 9 -13.063 4.462 1.927 1.00 0.00 C ATOM 99 OG1 THR A 9 -12.455 4.235 3.187 1.00 0.00 O ATOM 100 CG2 THR A 9 -14.051 3.342 1.686 1.00 0.00 C ATOM 0 H THR A 9 -11.423 2.623 1.299 1.00 0.00 H new ATOM 0 HA THR A 9 -12.468 4.983 -0.071 1.00 0.00 H new ATOM 0 HB THR A 9 -13.602 5.409 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.148 4.163 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.774 3.313 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.573 3.513 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 9 -13.519 2.392 1.639 1.00 0.00 H new ATOM 108 N GLU A 10 -11.259 6.808 1.439 1.00 0.00 N ATOM 109 CA GLU A 10 -10.300 7.823 1.861 1.00 0.00 C ATOM 110 C GLU A 10 -9.701 7.473 3.220 1.00 0.00 C ATOM 111 O GLU A 10 -8.494 7.598 3.428 1.00 0.00 O ATOM 112 CB GLU A 10 -10.973 9.197 1.921 1.00 0.00 C ATOM 113 CG GLU A 10 -10.602 10.106 0.761 1.00 0.00 C ATOM 114 CD GLU A 10 -11.773 10.938 0.276 1.00 0.00 C ATOM 115 OE1 GLU A 10 -12.633 10.389 -0.444 1.00 0.00 O ATOM 116 OE2 GLU A 10 -11.829 12.139 0.616 1.00 0.00 O ATOM 0 H GLU A 10 -12.205 7.158 1.288 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.494 7.855 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.055 9.062 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.700 9.686 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.792 10.768 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.224 9.501 -0.063 1.00 0.00 H new ATOM 123 N ASP A 11 -10.552 7.032 4.140 1.00 0.00 N ATOM 124 CA ASP A 11 -10.108 6.663 5.479 1.00 0.00 C ATOM 125 C ASP A 11 -9.091 5.526 5.420 1.00 0.00 C ATOM 126 O ASP A 11 -8.201 5.430 6.265 1.00 0.00 O ATOM 127 CB ASP A 11 -11.305 6.253 6.341 1.00 0.00 C ATOM 128 CG ASP A 11 -11.558 7.224 7.477 1.00 0.00 C ATOM 129 OD1 ASP A 11 -11.309 8.433 7.293 1.00 0.00 O ATOM 130 OD2 ASP A 11 -12.009 6.775 8.553 1.00 0.00 O ATOM 0 H ASP A 11 -11.554 6.921 3.983 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.628 7.532 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.195 6.190 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.131 5.257 6.749 1.00 0.00 H new ATOM 135 N GLN A 12 -9.230 4.666 4.416 1.00 0.00 N ATOM 136 CA GLN A 12 -8.324 3.536 4.246 1.00 0.00 C ATOM 137 C GLN A 12 -7.004 3.982 3.626 1.00 0.00 C ATOM 138 O GLN A 12 -5.931 3.546 4.044 1.00 0.00 O ATOM 139 CB GLN A 12 -8.974 2.461 3.372 1.00 0.00 C ATOM 140 CG GLN A 12 -10.050 1.662 4.090 1.00 0.00 C ATOM 141 CD GLN A 12 -10.991 0.958 3.133 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.728 0.877 1.933 1.00 0.00 O ATOM 143 NE2 GLN A 12 -12.097 0.447 3.659 1.00 0.00 N ATOM 0 H GLN A 12 -9.961 4.730 3.708 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.117 3.118 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.411 2.934 2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.202 1.778 3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.577 0.924 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.624 2.329 4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.275 0.537 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.769 -0.036 3.063 1.00 0.00 H new ATOM 152 N VAL A 13 -7.089 4.853 2.625 1.00 0.00 N ATOM 153 CA VAL A 13 -5.901 5.358 1.948 1.00 0.00 C ATOM 154 C VAL A 13 -5.136 6.336 2.834 1.00 0.00 C ATOM 155 O VAL A 13 -3.906 6.321 2.875 1.00 0.00 O ATOM 156 CB VAL A 13 -6.263 6.057 0.624 1.00 0.00 C ATOM 157 CG1 VAL A 13 -5.005 6.439 -0.143 1.00 0.00 C ATOM 158 CG2 VAL A 13 -7.161 5.166 -0.223 1.00 0.00 C ATOM 0 H VAL A 13 -7.969 5.223 2.265 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.269 4.496 1.734 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.810 6.971 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.283 6.931 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.403 7.118 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.427 5.542 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.406 5.677 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.642 4.234 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.078 4.949 0.324 1.00 0.00 H new ATOM 168 N GLU A 14 -5.873 7.187 3.541 1.00 0.00 N ATOM 169 CA GLU A 14 -5.264 8.175 4.426 1.00 0.00 C ATOM 170 C GLU A 14 -4.389 7.500 5.478 1.00 0.00 C ATOM 171 O GLU A 14 -3.257 7.918 5.720 1.00 0.00 O ATOM 172 CB GLU A 14 -6.346 9.013 5.110 1.00 0.00 C ATOM 173 CG GLU A 14 -6.864 10.156 4.254 1.00 0.00 C ATOM 174 CD GLU A 14 -6.979 11.458 5.024 1.00 0.00 C ATOM 175 OE1 GLU A 14 -5.955 12.160 5.158 1.00 0.00 O ATOM 176 OE2 GLU A 14 -8.092 11.772 5.493 1.00 0.00 O ATOM 0 H GLU A 14 -6.892 7.213 3.519 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.635 8.828 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.180 8.365 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.946 9.419 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.197 10.299 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.841 9.889 3.851 1.00 0.00 H new ATOM 183 N ILE A 15 -4.922 6.453 6.100 1.00 0.00 N ATOM 184 CA ILE A 15 -4.192 5.721 7.127 1.00 0.00 C ATOM 185 C ILE A 15 -3.166 4.778 6.508 1.00 0.00 C ATOM 186 O ILE A 15 -2.133 4.486 7.111 1.00 0.00 O ATOM 187 CB ILE A 15 -5.146 4.906 8.022 1.00 0.00 C ATOM 188 CG1 ILE A 15 -6.297 5.787 8.511 1.00 0.00 C ATOM 189 CG2 ILE A 15 -4.390 4.309 9.199 1.00 0.00 C ATOM 190 CD1 ILE A 15 -7.425 5.006 9.150 1.00 0.00 C ATOM 0 H ILE A 15 -5.857 6.093 5.910 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.677 6.463 7.737 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.563 4.089 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.911 6.508 9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.691 6.357 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.078 3.737 9.821 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.602 3.652 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.947 5.110 9.791 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.206 5.694 9.473 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.837 4.303 8.426 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.045 4.458 10.012 1.00 0.00 H new ATOM 202 N LEU A 16 -3.457 4.302 5.301 1.00 0.00 N ATOM 203 CA LEU A 16 -2.559 3.389 4.602 1.00 0.00 C ATOM 204 C LEU A 16 -1.313 4.119 4.108 1.00 0.00 C ATOM 205 O LEU A 16 -0.232 3.536 4.027 1.00 0.00 O ATOM 206 CB LEU A 16 -3.281 2.733 3.425 1.00 0.00 C ATOM 207 CG LEU A 16 -4.091 1.484 3.777 1.00 0.00 C ATOM 208 CD1 LEU A 16 -4.939 1.046 2.593 1.00 0.00 C ATOM 209 CD2 LEU A 16 -3.167 0.359 4.219 1.00 0.00 C ATOM 0 H LEU A 16 -4.307 4.533 4.787 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.248 2.616 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.950 3.466 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.543 2.467 2.668 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.758 1.727 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.508 0.156 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.626 1.847 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.292 0.820 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.759 -0.522 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.476 0.117 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.603 0.675 5.097 1.00 0.00 H new ATOM 221 N GLU A 17 -1.472 5.396 3.776 1.00 0.00 N ATOM 222 CA GLU A 17 -0.359 6.203 3.290 1.00 0.00 C ATOM 223 C GLU A 17 0.368 6.884 4.445 1.00 0.00 C ATOM 224 O GLU A 17 1.579 7.101 4.388 1.00 0.00 O ATOM 225 CB GLU A 17 -0.860 7.251 2.292 1.00 0.00 C ATOM 226 CG GLU A 17 -0.291 7.080 0.893 1.00 0.00 C ATOM 227 CD GLU A 17 0.124 8.396 0.266 1.00 0.00 C ATOM 228 OE1 GLU A 17 0.763 9.211 0.964 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.190 8.612 -0.924 1.00 0.00 O ATOM 0 H GLU A 17 -2.360 5.894 3.835 1.00 0.00 H new ATOM 0 HA GLU A 17 0.345 5.541 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.948 7.202 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.603 8.244 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.571 6.414 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.035 6.599 0.259 1.00 0.00 H new ATOM 236 N TYR A 18 -0.379 7.220 5.493 1.00 0.00 N ATOM 237 CA TYR A 18 0.196 7.877 6.661 1.00 0.00 C ATOM 238 C TYR A 18 1.168 6.950 7.383 1.00 0.00 C ATOM 239 O TYR A 18 2.145 7.404 7.980 1.00 0.00 O ATOM 240 CB TYR A 18 -0.911 8.321 7.618 1.00 0.00 C ATOM 241 CG TYR A 18 -0.435 9.264 8.700 1.00 0.00 C ATOM 242 CD1 TYR A 18 0.429 8.828 9.697 1.00 0.00 C ATOM 243 CD2 TYR A 18 -0.849 10.590 8.725 1.00 0.00 C ATOM 244 CE1 TYR A 18 0.867 9.687 10.687 1.00 0.00 C ATOM 245 CE2 TYR A 18 -0.415 11.455 9.712 1.00 0.00 C ATOM 246 CZ TYR A 18 0.442 10.999 10.690 1.00 0.00 C ATOM 247 OH TYR A 18 0.876 11.856 11.675 1.00 0.00 O ATOM 0 H TYR A 18 -1.382 7.048 5.557 1.00 0.00 H new ATOM 0 HA TYR A 18 0.745 8.755 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.701 8.807 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.352 7.440 8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.764 7.801 9.698 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.521 10.951 7.961 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.539 9.333 11.455 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.746 12.483 9.717 1.00 0.00 H new ATOM 0 HH TYR A 18 0.485 12.743 11.532 1.00 0.00 H new ATOM 257 N ASN A 19 0.895 5.650 7.326 1.00 0.00 N ATOM 258 CA ASN A 19 1.750 4.662 7.976 1.00 0.00 C ATOM 259 C ASN A 19 2.749 4.068 6.988 1.00 0.00 C ATOM 260 O ASN A 19 3.231 2.951 7.176 1.00 0.00 O ATOM 261 CB ASN A 19 0.899 3.549 8.590 1.00 0.00 C ATOM 262 CG ASN A 19 0.076 4.033 9.767 1.00 0.00 C ATOM 263 OD1 ASN A 19 0.450 3.840 10.924 1.00 0.00 O ATOM 264 ND2 ASN A 19 -1.055 4.666 9.477 1.00 0.00 N ATOM 0 H ASN A 19 0.090 5.257 6.838 1.00 0.00 H new ATOM 0 HA ASN A 19 2.307 5.165 8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.234 3.142 7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.548 2.736 8.914 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.652 5.014 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.327 4.804 8.504 1.00 0.00 H new ATOM 271 N PHE A 20 3.055 4.818 5.933 1.00 0.00 N ATOM 272 CA PHE A 20 3.995 4.360 4.916 1.00 0.00 C ATOM 273 C PHE A 20 5.174 5.322 4.776 1.00 0.00 C ATOM 274 O PHE A 20 6.273 4.918 4.396 1.00 0.00 O ATOM 275 CB PHE A 20 3.284 4.211 3.570 1.00 0.00 C ATOM 276 CG PHE A 20 4.177 3.709 2.470 1.00 0.00 C ATOM 277 CD1 PHE A 20 4.857 2.510 2.604 1.00 0.00 C ATOM 278 CD2 PHE A 20 4.333 4.438 1.301 1.00 0.00 C ATOM 279 CE1 PHE A 20 5.678 2.046 1.593 1.00 0.00 C ATOM 280 CE2 PHE A 20 5.153 3.980 0.288 1.00 0.00 C ATOM 281 CZ PHE A 20 5.826 2.783 0.433 1.00 0.00 C ATOM 0 H PHE A 20 2.666 5.745 5.761 1.00 0.00 H new ATOM 0 HA PHE A 20 4.382 3.391 5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.444 3.526 3.686 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.870 5.176 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.745 1.931 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.808 5.374 1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.203 1.109 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.268 4.558 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.467 2.423 -0.358 1.00 0.00 H new ATOM 291 N ASN A 21 4.940 6.597 5.077 1.00 0.00 N ATOM 292 CA ASN A 21 5.985 7.609 4.972 1.00 0.00 C ATOM 293 C ASN A 21 6.373 8.160 6.344 1.00 0.00 C ATOM 294 O ASN A 21 7.482 8.662 6.527 1.00 0.00 O ATOM 295 CB ASN A 21 5.520 8.753 4.069 1.00 0.00 C ATOM 296 CG ASN A 21 5.325 8.312 2.632 1.00 0.00 C ATOM 297 OD1 ASN A 21 6.286 8.191 1.872 1.00 0.00 O ATOM 298 ND2 ASN A 21 4.077 8.067 2.252 1.00 0.00 N ATOM 0 H ASN A 21 4.038 6.952 5.395 1.00 0.00 H new ATOM 0 HA ASN A 21 6.864 7.134 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.583 9.157 4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.253 9.559 4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.885 7.765 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.310 8.180 2.915 1.00 0.00 H new ATOM 305 N LYS A 22 5.457 8.072 7.302 1.00 0.00 N ATOM 306 CA LYS A 22 5.714 8.572 8.649 1.00 0.00 C ATOM 307 C LYS A 22 6.176 7.453 9.578 1.00 0.00 C ATOM 308 O LYS A 22 7.057 7.654 10.415 1.00 0.00 O ATOM 309 CB LYS A 22 4.460 9.236 9.218 1.00 0.00 C ATOM 310 CG LYS A 22 4.043 10.493 8.470 1.00 0.00 C ATOM 311 CD LYS A 22 3.084 10.172 7.335 1.00 0.00 C ATOM 312 CE LYS A 22 3.167 11.212 6.228 1.00 0.00 C ATOM 313 NZ LYS A 22 2.460 12.470 6.593 1.00 0.00 N ATOM 0 H LYS A 22 4.533 7.661 7.172 1.00 0.00 H new ATOM 0 HA LYS A 22 6.513 9.311 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.638 8.520 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.635 9.487 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.570 11.190 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.927 10.991 8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.315 9.187 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.065 10.128 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.213 11.432 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.734 10.805 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.540 13.152 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.456 12.265 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.889 12.873 7.450 1.00 0.00 H new ATOM 327 N VAL A 23 5.577 6.276 9.431 1.00 0.00 N ATOM 328 CA VAL A 23 5.930 5.133 10.265 1.00 0.00 C ATOM 329 C VAL A 23 7.098 4.353 9.671 1.00 0.00 C ATOM 330 O VAL A 23 8.203 4.361 10.213 1.00 0.00 O ATOM 331 CB VAL A 23 4.731 4.183 10.456 1.00 0.00 C ATOM 332 CG1 VAL A 23 5.075 3.076 11.442 1.00 0.00 C ATOM 333 CG2 VAL A 23 3.508 4.959 10.921 1.00 0.00 C ATOM 0 H VAL A 23 4.847 6.089 8.744 1.00 0.00 H new ATOM 0 HA VAL A 23 6.224 5.532 11.236 1.00 0.00 H new ATOM 0 HB VAL A 23 4.500 3.721 9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.216 2.416 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.922 2.503 11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.334 3.515 12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.670 4.274 11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.727 5.449 11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.249 5.711 10.176 1.00 0.00 H new ATOM 343 N ASN A 24 6.848 3.676 8.554 1.00 0.00 N ATOM 344 CA ASN A 24 7.883 2.889 7.892 1.00 0.00 C ATOM 345 C ASN A 24 7.433 2.459 6.500 1.00 0.00 C ATOM 346 O ASN A 24 6.353 2.832 6.043 1.00 0.00 O ATOM 347 CB ASN A 24 8.228 1.658 8.733 1.00 0.00 C ATOM 348 CG ASN A 24 6.996 0.871 9.136 1.00 0.00 C ATOM 349 OD1 ASN A 24 6.077 0.684 8.338 1.00 0.00 O ATOM 350 ND2 ASN A 24 6.971 0.405 10.378 1.00 0.00 N ATOM 0 H ASN A 24 5.940 3.657 8.089 1.00 0.00 H new ATOM 0 HA ASN A 24 8.771 3.513 7.789 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.900 1.012 8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.765 1.972 9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.168 -0.132 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.755 0.584 11.006 1.00 0.00 H new ATOM 357 N LYS A 25 8.268 1.670 5.830 1.00 0.00 N ATOM 358 CA LYS A 25 7.956 1.189 4.489 1.00 0.00 C ATOM 359 C LYS A 25 7.787 -0.327 4.477 1.00 0.00 C ATOM 360 O LYS A 25 6.929 -0.861 3.774 1.00 0.00 O ATOM 361 CB LYS A 25 9.057 1.599 3.509 1.00 0.00 C ATOM 362 CG LYS A 25 8.894 3.009 2.965 1.00 0.00 C ATOM 363 CD LYS A 25 9.170 4.054 4.034 1.00 0.00 C ATOM 364 CE LYS A 25 9.357 5.435 3.427 1.00 0.00 C ATOM 365 NZ LYS A 25 8.182 5.847 2.611 1.00 0.00 N ATOM 0 H LYS A 25 9.166 1.351 6.194 1.00 0.00 H new ATOM 0 HA LYS A 25 7.014 1.642 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.023 1.520 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.070 0.896 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.574 3.157 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.882 3.138 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.344 4.076 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.064 3.777 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.519 6.162 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.251 5.439 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.145 6.885 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.269 5.452 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.310 5.492 3.054 1.00 0.00 H new ATOM 379 N HIS A 26 8.611 -1.016 5.260 1.00 0.00 N ATOM 380 CA HIS A 26 8.552 -2.472 5.339 1.00 0.00 C ATOM 381 C HIS A 26 8.208 -2.929 6.755 1.00 0.00 C ATOM 382 O HIS A 26 9.030 -3.542 7.437 1.00 0.00 O ATOM 383 CB HIS A 26 9.886 -3.081 4.902 1.00 0.00 C ATOM 384 CG HIS A 26 10.122 -3.010 3.425 1.00 0.00 C ATOM 385 ND1 HIS A 26 9.690 -3.982 2.546 1.00 0.00 N ATOM 386 CD2 HIS A 26 10.746 -2.075 2.670 1.00 0.00 C ATOM 387 CE1 HIS A 26 10.040 -3.649 1.317 1.00 0.00 C ATOM 388 NE2 HIS A 26 10.681 -2.496 1.365 1.00 0.00 N ATOM 0 H HIS A 26 9.327 -0.590 5.849 1.00 0.00 H new ATOM 0 HA HIS A 26 7.766 -2.816 4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.697 -2.565 5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.920 -4.124 5.217 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.209 -1.167 3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.836 -4.222 0.425 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.066 -1.998 0.562 1.00 0.00 H new ATOM 397 N PRO A 27 6.981 -2.635 7.219 1.00 0.00 N ATOM 398 CA PRO A 27 6.531 -3.019 8.560 1.00 0.00 C ATOM 399 C PRO A 27 6.254 -4.515 8.672 1.00 0.00 C ATOM 400 O PRO A 27 5.914 -5.168 7.686 1.00 0.00 O ATOM 401 CB PRO A 27 5.241 -2.220 8.741 1.00 0.00 C ATOM 402 CG PRO A 27 4.726 -2.018 7.358 1.00 0.00 C ATOM 403 CD PRO A 27 5.937 -1.905 6.473 1.00 0.00 C ATOM 0 HA PRO A 27 7.286 -2.813 9.319 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.522 -2.762 9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.431 -1.268 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.096 -2.853 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.114 -1.118 7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.760 -2.348 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.216 -0.865 6.307 1.00 0.00 H new ATOM 411 N ASP A 28 6.400 -5.049 9.880 1.00 0.00 N ATOM 412 CA ASP A 28 6.164 -6.468 10.122 1.00 0.00 C ATOM 413 C ASP A 28 4.680 -6.737 10.365 1.00 0.00 C ATOM 414 O ASP A 28 3.892 -5.805 10.526 1.00 0.00 O ATOM 415 CB ASP A 28 6.985 -6.948 11.323 1.00 0.00 C ATOM 416 CG ASP A 28 8.379 -6.352 11.352 1.00 0.00 C ATOM 417 OD1 ASP A 28 8.502 -5.144 11.642 1.00 0.00 O ATOM 418 OD2 ASP A 28 9.348 -7.094 11.085 1.00 0.00 O ATOM 0 H ASP A 28 6.680 -4.521 10.706 1.00 0.00 H new ATOM 0 HA ASP A 28 6.476 -7.020 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.463 -6.686 12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.059 -8.035 11.297 1.00 0.00 H new ATOM 423 N PRO A 29 4.277 -8.019 10.393 1.00 0.00 N ATOM 424 CA PRO A 29 2.878 -8.402 10.616 1.00 0.00 C ATOM 425 C PRO A 29 2.317 -7.818 11.908 1.00 0.00 C ATOM 426 O PRO A 29 1.108 -7.624 12.039 1.00 0.00 O ATOM 427 CB PRO A 29 2.930 -9.931 10.697 1.00 0.00 C ATOM 428 CG PRO A 29 4.169 -10.307 9.960 1.00 0.00 C ATOM 429 CD PRO A 29 5.147 -9.195 10.209 1.00 0.00 C ATOM 0 HA PRO A 29 2.225 -8.029 9.827 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.966 -10.272 11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.047 -10.382 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.561 -11.260 10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.970 -10.422 8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.758 -9.386 11.091 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.830 -9.064 9.370 1.00 0.00 H new ATOM 437 N THR A 30 3.201 -7.539 12.859 1.00 0.00 N ATOM 438 CA THR A 30 2.792 -6.977 14.141 1.00 0.00 C ATOM 439 C THR A 30 2.236 -5.568 13.963 1.00 0.00 C ATOM 440 O THR A 30 1.138 -5.260 14.425 1.00 0.00 O ATOM 441 CB THR A 30 3.974 -6.952 15.111 1.00 0.00 C ATOM 442 OG1 THR A 30 4.693 -8.172 15.058 1.00 0.00 O ATOM 443 CG2 THR A 30 3.562 -6.724 16.551 1.00 0.00 C ATOM 0 H THR A 30 4.205 -7.693 12.767 1.00 0.00 H new ATOM 0 HA THR A 30 2.006 -7.610 14.553 1.00 0.00 H new ATOM 0 HB THR A 30 4.593 -6.115 14.790 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.446 -8.135 15.684 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.448 -6.718 17.186 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.048 -5.766 16.635 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.893 -7.524 16.869 1.00 0.00 H new ATOM 451 N THR A 31 3.001 -4.715 13.288 1.00 0.00 N ATOM 452 CA THR A 31 2.585 -3.339 13.048 1.00 0.00 C ATOM 453 C THR A 31 1.476 -3.281 12.004 1.00 0.00 C ATOM 454 O THR A 31 0.585 -2.434 12.076 1.00 0.00 O ATOM 455 CB THR A 31 3.777 -2.496 12.591 1.00 0.00 C ATOM 456 OG1 THR A 31 4.874 -2.659 13.472 1.00 0.00 O ATOM 457 CG2 THR A 31 3.468 -1.016 12.509 1.00 0.00 C ATOM 0 H THR A 31 3.913 -4.954 12.898 1.00 0.00 H new ATOM 0 HA THR A 31 2.200 -2.933 13.984 1.00 0.00 H new ATOM 0 HB THR A 31 4.018 -2.855 11.591 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.627 -2.113 13.162 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.356 -0.477 12.179 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.659 -0.852 11.798 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.167 -0.652 13.491 1.00 0.00 H new ATOM 465 N LEU A 32 1.536 -4.187 11.034 1.00 0.00 N ATOM 466 CA LEU A 32 0.536 -4.240 9.972 1.00 0.00 C ATOM 467 C LEU A 32 -0.860 -4.452 10.551 1.00 0.00 C ATOM 468 O LEU A 32 -1.853 -3.988 9.989 1.00 0.00 O ATOM 469 CB LEU A 32 0.868 -5.361 8.986 1.00 0.00 C ATOM 470 CG LEU A 32 0.543 -5.054 7.523 1.00 0.00 C ATOM 471 CD1 LEU A 32 1.373 -3.880 7.028 1.00 0.00 C ATOM 472 CD2 LEU A 32 0.780 -6.280 6.656 1.00 0.00 C ATOM 0 H LEU A 32 2.266 -4.895 10.961 1.00 0.00 H new ATOM 0 HA LEU A 32 0.550 -3.286 9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.930 -5.591 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.324 -6.258 9.283 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.510 -4.783 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.129 -3.676 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.154 -2.999 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.432 -4.122 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.544 -6.043 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.825 -6.582 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.142 -7.095 6.996 1.00 0.00 H new ATOM 484 N CYS A 33 -0.929 -5.157 11.676 1.00 0.00 N ATOM 485 CA CYS A 33 -2.204 -5.430 12.330 1.00 0.00 C ATOM 486 C CYS A 33 -2.817 -4.148 12.885 1.00 0.00 C ATOM 487 O CYS A 33 -4.039 -4.009 12.946 1.00 0.00 O ATOM 488 CB CYS A 33 -2.016 -6.448 13.455 1.00 0.00 C ATOM 489 SG CYS A 33 -3.563 -7.087 14.139 1.00 0.00 S ATOM 0 H CYS A 33 -0.117 -5.549 12.153 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.884 -5.843 11.585 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.425 -7.283 13.080 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.441 -5.985 14.257 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.958 -8.108 13.438 1.00 0.00 H new ATOM 495 N LEU A 34 -1.961 -3.215 13.288 1.00 0.00 N ATOM 496 CA LEU A 34 -2.418 -1.946 13.839 1.00 0.00 C ATOM 497 C LEU A 34 -3.010 -1.060 12.746 1.00 0.00 C ATOM 498 O LEU A 34 -4.008 -0.372 12.963 1.00 0.00 O ATOM 499 CB LEU A 34 -1.264 -1.219 14.531 1.00 0.00 C ATOM 500 CG LEU A 34 -0.493 -2.054 15.553 1.00 0.00 C ATOM 501 CD1 LEU A 34 0.728 -1.295 16.050 1.00 0.00 C ATOM 502 CD2 LEU A 34 -1.395 -2.435 16.717 1.00 0.00 C ATOM 0 H LEU A 34 -0.947 -3.314 13.243 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.196 -2.157 14.573 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.566 -0.869 13.770 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.659 -0.335 15.031 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.154 -2.968 15.066 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.265 -1.905 16.777 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.384 -1.071 15.209 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.411 -0.364 16.521 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.830 -3.029 17.435 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.763 -1.531 17.203 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.239 -3.018 16.348 1.00 0.00 H new ATOM 514 N ILE A 35 -2.388 -1.083 11.572 1.00 0.00 N ATOM 515 CA ILE A 35 -2.853 -0.283 10.446 1.00 0.00 C ATOM 516 C ILE A 35 -4.148 -0.844 9.872 1.00 0.00 C ATOM 517 O ILE A 35 -4.990 -0.101 9.367 1.00 0.00 O ATOM 518 CB ILE A 35 -1.794 -0.216 9.328 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.436 0.193 9.900 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.231 0.756 8.240 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.738 -0.291 9.079 1.00 0.00 C ATOM 0 H ILE A 35 -1.561 -1.647 11.376 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.033 0.723 10.825 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.695 -1.207 8.885 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.394 1.280 9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.346 -0.198 10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.472 0.792 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.177 0.423 7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.357 1.750 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.667 0.036 9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.722 -1.380 9.027 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.672 0.121 8.072 1.00 0.00 H new ATOM 533 N ALA A 36 -4.303 -2.162 9.953 1.00 0.00 N ATOM 534 CA ALA A 36 -5.497 -2.824 9.442 1.00 0.00 C ATOM 535 C ALA A 36 -6.700 -2.558 10.341 1.00 0.00 C ATOM 536 O ALA A 36 -7.759 -2.144 9.871 1.00 0.00 O ATOM 537 CB ALA A 36 -5.255 -4.321 9.311 1.00 0.00 C ATOM 0 H ALA A 36 -3.616 -2.792 10.368 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.716 -2.414 8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.155 -4.803 8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.428 -4.497 8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.008 -4.737 10.288 1.00 0.00 H new ATOM 543 N ALA A 37 -6.528 -2.798 11.638 1.00 0.00 N ATOM 544 CA ALA A 37 -7.598 -2.583 12.603 1.00 0.00 C ATOM 545 C ALA A 37 -8.056 -1.129 12.601 1.00 0.00 C ATOM 546 O ALA A 37 -9.222 -0.833 12.861 1.00 0.00 O ATOM 547 CB ALA A 37 -7.143 -2.994 13.995 1.00 0.00 C ATOM 0 H ALA A 37 -5.657 -3.141 12.043 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.446 -3.203 12.312 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.952 -2.828 14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.873 -4.050 13.993 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.277 -2.399 14.285 1.00 0.00 H new ATOM 553 N GLU A 38 -7.129 -0.222 12.307 1.00 0.00 N ATOM 554 CA GLU A 38 -7.436 1.202 12.271 1.00 0.00 C ATOM 555 C GLU A 38 -8.397 1.524 11.131 1.00 0.00 C ATOM 556 O GLU A 38 -9.547 1.896 11.360 1.00 0.00 O ATOM 557 CB GLU A 38 -6.153 2.019 12.119 1.00 0.00 C ATOM 558 CG GLU A 38 -6.160 3.319 12.907 1.00 0.00 C ATOM 559 CD GLU A 38 -4.767 3.878 13.123 1.00 0.00 C ATOM 560 OE1 GLU A 38 -3.983 3.908 12.152 1.00 0.00 O ATOM 561 OE2 GLU A 38 -4.461 4.285 14.263 1.00 0.00 O ATOM 0 H GLU A 38 -6.159 -0.449 12.090 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.917 1.467 13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.306 1.413 12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.999 2.245 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.765 4.056 12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.634 3.151 13.874 1.00 0.00 H new ATOM 568 N ALA A 39 -7.916 1.378 9.900 1.00 0.00 N ATOM 569 CA ALA A 39 -8.732 1.653 8.724 1.00 0.00 C ATOM 570 C ALA A 39 -9.949 0.735 8.671 1.00 0.00 C ATOM 571 O ALA A 39 -11.012 1.124 8.189 1.00 0.00 O ATOM 572 CB ALA A 39 -7.901 1.501 7.459 1.00 0.00 C ATOM 0 H ALA A 39 -6.966 1.071 9.692 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.088 2.681 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.523 1.709 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.067 2.202 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.517 0.483 7.396 1.00 0.00 H new ATOM 578 N GLY A 40 -9.784 -0.485 9.171 1.00 0.00 N ATOM 579 CA GLY A 40 -10.877 -1.441 9.172 1.00 0.00 C ATOM 580 C GLY A 40 -10.639 -2.595 8.220 1.00 0.00 C ATOM 581 O GLY A 40 -11.585 -3.182 7.695 1.00 0.00 O ATOM 0 H GLY A 40 -8.913 -0.829 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.015 -1.829 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.801 -0.932 8.897 1.00 0.00 H new ATOM 585 N LEU A 41 -9.370 -2.923 7.995 1.00 0.00 N ATOM 586 CA LEU A 41 -9.008 -4.014 7.099 1.00 0.00 C ATOM 587 C LEU A 41 -8.160 -5.054 7.824 1.00 0.00 C ATOM 588 O LEU A 41 -7.969 -4.978 9.037 1.00 0.00 O ATOM 589 CB LEU A 41 -8.248 -3.476 5.886 1.00 0.00 C ATOM 590 CG LEU A 41 -8.929 -2.316 5.157 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.896 -1.320 4.653 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.776 -2.836 4.005 1.00 0.00 C ATOM 0 H LEU A 41 -8.575 -2.447 8.422 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.927 -4.492 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.260 -3.151 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.099 -4.292 5.179 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.583 -1.803 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.400 -0.503 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.331 -0.923 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.216 -1.819 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.253 -1.998 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.141 -3.373 3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.541 -3.510 4.391 1.00 0.00 H new ATOM 604 N THR A 42 -7.656 -6.028 7.072 1.00 0.00 N ATOM 605 CA THR A 42 -6.828 -7.083 7.643 1.00 0.00 C ATOM 606 C THR A 42 -5.381 -6.955 7.175 1.00 0.00 C ATOM 607 O THR A 42 -5.097 -6.283 6.183 1.00 0.00 O ATOM 608 CB THR A 42 -7.380 -8.457 7.257 1.00 0.00 C ATOM 609 OG1 THR A 42 -7.315 -8.648 5.856 1.00 0.00 O ATOM 610 CG2 THR A 42 -8.817 -8.665 7.683 1.00 0.00 C ATOM 0 H THR A 42 -7.807 -6.108 6.066 1.00 0.00 H new ATOM 0 HA THR A 42 -6.850 -6.980 8.728 1.00 0.00 H new ATOM 0 HB THR A 42 -6.754 -9.178 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.671 -9.533 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.146 -9.659 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.892 -8.574 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.449 -7.913 7.211 1.00 0.00 H new ATOM 618 N GLU A 43 -4.472 -7.603 7.896 1.00 0.00 N ATOM 619 CA GLU A 43 -3.055 -7.561 7.553 1.00 0.00 C ATOM 620 C GLU A 43 -2.815 -8.128 6.158 1.00 0.00 C ATOM 621 O GLU A 43 -1.942 -7.658 5.428 1.00 0.00 O ATOM 622 CB GLU A 43 -2.237 -8.343 8.582 1.00 0.00 C ATOM 623 CG GLU A 43 -2.242 -7.717 9.967 1.00 0.00 C ATOM 624 CD GLU A 43 -3.435 -8.145 10.797 1.00 0.00 C ATOM 625 OE1 GLU A 43 -4.502 -7.507 10.677 1.00 0.00 O ATOM 626 OE2 GLU A 43 -3.304 -9.119 11.568 1.00 0.00 O ATOM 0 H GLU A 43 -4.691 -8.163 8.720 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.736 -6.519 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.629 -9.358 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.208 -8.422 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.325 -7.991 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.242 -6.631 9.871 1.00 0.00 H new ATOM 633 N GLU A 44 -3.595 -9.141 5.795 1.00 0.00 N ATOM 634 CA GLU A 44 -3.467 -9.772 4.487 1.00 0.00 C ATOM 635 C GLU A 44 -3.826 -8.796 3.372 1.00 0.00 C ATOM 636 O GLU A 44 -3.297 -8.883 2.263 1.00 0.00 O ATOM 637 CB GLU A 44 -4.361 -11.011 4.406 1.00 0.00 C ATOM 638 CG GLU A 44 -4.010 -11.942 3.258 1.00 0.00 C ATOM 639 CD GLU A 44 -4.235 -13.401 3.600 1.00 0.00 C ATOM 640 OE1 GLU A 44 -3.334 -14.013 4.211 1.00 0.00 O ATOM 641 OE2 GLU A 44 -5.313 -13.932 3.258 1.00 0.00 O ATOM 0 H GLU A 44 -4.322 -9.542 6.388 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.428 -10.073 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.290 -11.562 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.398 -10.694 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.610 -11.680 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.966 -11.794 2.982 1.00 0.00 H new ATOM 648 N GLN A 45 -4.730 -7.869 3.671 1.00 0.00 N ATOM 649 CA GLN A 45 -5.161 -6.877 2.692 1.00 0.00 C ATOM 650 C GLN A 45 -4.231 -5.669 2.694 1.00 0.00 C ATOM 651 O GLN A 45 -4.015 -5.038 1.659 1.00 0.00 O ATOM 652 CB GLN A 45 -6.595 -6.431 2.984 1.00 0.00 C ATOM 653 CG GLN A 45 -7.650 -7.375 2.433 1.00 0.00 C ATOM 654 CD GLN A 45 -8.839 -6.641 1.846 1.00 0.00 C ATOM 655 OE1 GLN A 45 -8.729 -5.489 1.429 1.00 0.00 O ATOM 656 NE2 GLN A 45 -9.987 -7.308 1.811 1.00 0.00 N ATOM 0 H GLN A 45 -5.178 -7.784 4.583 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.125 -7.339 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.726 -6.342 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.751 -5.439 2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.202 -8.006 1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.993 -8.036 3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.033 -8.262 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.822 -6.866 1.427 1.00 0.00 H new ATOM 665 N THR A 46 -3.681 -5.352 3.861 1.00 0.00 N ATOM 666 CA THR A 46 -2.773 -4.218 3.997 1.00 0.00 C ATOM 667 C THR A 46 -1.402 -4.544 3.412 1.00 0.00 C ATOM 668 O THR A 46 -0.702 -3.660 2.918 1.00 0.00 O ATOM 669 CB THR A 46 -2.633 -3.823 5.467 1.00 0.00 C ATOM 670 OG1 THR A 46 -3.905 -3.728 6.083 1.00 0.00 O ATOM 671 CG2 THR A 46 -1.926 -2.500 5.667 1.00 0.00 C ATOM 0 H THR A 46 -3.848 -5.864 4.727 1.00 0.00 H new ATOM 0 HA THR A 46 -3.194 -3.380 3.442 1.00 0.00 H new ATOM 0 HB THR A 46 -2.031 -4.610 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.278 -4.626 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.860 -2.280 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.922 -2.556 5.246 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.485 -1.709 5.167 1.00 0.00 H new ATOM 679 N GLN A 47 -1.024 -5.817 3.473 1.00 0.00 N ATOM 680 CA GLN A 47 0.264 -6.257 2.950 1.00 0.00 C ATOM 681 C GLN A 47 0.345 -6.036 1.442 1.00 0.00 C ATOM 682 O GLN A 47 1.391 -5.654 0.917 1.00 0.00 O ATOM 683 CB GLN A 47 0.491 -7.736 3.271 1.00 0.00 C ATOM 684 CG GLN A 47 1.956 -8.103 3.442 1.00 0.00 C ATOM 685 CD GLN A 47 2.171 -9.599 3.568 1.00 0.00 C ATOM 686 OE1 GLN A 47 2.566 -10.093 4.624 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.912 -10.327 2.489 1.00 0.00 N ATOM 0 H GLN A 47 -1.591 -6.561 3.879 1.00 0.00 H new ATOM 0 HA GLN A 47 1.043 -5.663 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.047 -7.988 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.064 -8.342 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.523 -7.729 2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.350 -7.607 4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.586 -9.875 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.039 -11.339 2.514 1.00 0.00 H new ATOM 696 N LYS A 48 -0.764 -6.278 0.751 1.00 0.00 N ATOM 697 CA LYS A 48 -0.818 -6.104 -0.695 1.00 0.00 C ATOM 698 C LYS A 48 -0.643 -4.637 -1.076 1.00 0.00 C ATOM 699 O LYS A 48 0.002 -4.317 -2.074 1.00 0.00 O ATOM 700 CB LYS A 48 -2.144 -6.631 -1.245 1.00 0.00 C ATOM 701 CG LYS A 48 -2.498 -8.025 -0.752 1.00 0.00 C ATOM 702 CD LYS A 48 -1.389 -9.021 -1.052 1.00 0.00 C ATOM 703 CE LYS A 48 -1.660 -10.367 -0.400 1.00 0.00 C ATOM 704 NZ LYS A 48 -0.400 -11.069 -0.030 1.00 0.00 N ATOM 0 H LYS A 48 -1.638 -6.595 1.170 1.00 0.00 H new ATOM 0 HA LYS A 48 0.001 -6.674 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.942 -5.943 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.097 -6.641 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.682 -7.996 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.423 -8.355 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.296 -9.150 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.438 -8.627 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.270 -10.222 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.236 -10.991 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.579 -12.091 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.322 -10.893 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.061 -10.714 0.887 1.00 0.00 H new ATOM 718 N TRP A 49 -1.222 -3.751 -0.273 1.00 0.00 N ATOM 719 CA TRP A 49 -1.131 -2.317 -0.525 1.00 0.00 C ATOM 720 C TRP A 49 0.292 -1.815 -0.311 1.00 0.00 C ATOM 721 O TRP A 49 0.850 -1.119 -1.160 1.00 0.00 O ATOM 722 CB TRP A 49 -2.096 -1.557 0.386 1.00 0.00 C ATOM 723 CG TRP A 49 -2.222 -0.105 0.038 1.00 0.00 C ATOM 724 CD1 TRP A 49 -3.239 0.487 -0.653 1.00 0.00 C ATOM 725 CD2 TRP A 49 -1.297 0.938 0.366 1.00 0.00 C ATOM 726 NE1 TRP A 49 -3.003 1.835 -0.776 1.00 0.00 N ATOM 727 CE2 TRP A 49 -1.817 2.137 -0.158 1.00 0.00 C ATOM 728 CE3 TRP A 49 -0.079 0.976 1.051 1.00 0.00 C ATOM 729 CZ2 TRP A 49 -1.163 3.358 -0.018 1.00 0.00 C ATOM 730 CZ3 TRP A 49 0.570 2.188 1.191 1.00 0.00 C ATOM 731 CH2 TRP A 49 0.027 3.365 0.658 1.00 0.00 C ATOM 0 H TRP A 49 -1.759 -4.000 0.558 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.406 -2.138 -1.564 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.080 -2.023 0.331 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.758 -1.648 1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -4.103 -0.029 -1.046 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.611 2.503 -1.250 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.347 0.074 1.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -1.579 4.266 -0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.511 2.229 1.720 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.559 4.297 0.783 1.00 0.00 H new ATOM 742 N PHE A 50 0.874 -2.169 0.830 1.00 0.00 N ATOM 743 CA PHE A 50 2.233 -1.752 1.158 1.00 0.00 C ATOM 744 C PHE A 50 3.227 -2.257 0.116 1.00 0.00 C ATOM 745 O PHE A 50 4.109 -1.520 -0.323 1.00 0.00 O ATOM 746 CB PHE A 50 2.625 -2.264 2.545 1.00 0.00 C ATOM 747 CG PHE A 50 2.369 -1.273 3.645 1.00 0.00 C ATOM 748 CD1 PHE A 50 3.307 -0.300 3.950 1.00 0.00 C ATOM 749 CD2 PHE A 50 1.192 -1.315 4.373 1.00 0.00 C ATOM 750 CE1 PHE A 50 3.074 0.613 4.961 1.00 0.00 C ATOM 751 CE2 PHE A 50 0.953 -0.406 5.385 1.00 0.00 C ATOM 752 CZ PHE A 50 1.896 0.559 5.680 1.00 0.00 C ATOM 0 H PHE A 50 0.426 -2.744 1.543 1.00 0.00 H new ATOM 0 HA PHE A 50 2.260 -0.662 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.072 -3.179 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.683 -2.525 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.230 -0.255 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.452 -2.068 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.812 1.368 5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.030 -0.450 5.945 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.713 1.270 6.472 1.00 0.00 H new ATOM 762 N LYS A 51 3.079 -3.519 -0.274 1.00 0.00 N ATOM 763 CA LYS A 51 3.965 -4.122 -1.262 1.00 0.00 C ATOM 764 C LYS A 51 3.779 -3.475 -2.631 1.00 0.00 C ATOM 765 O LYS A 51 4.750 -3.115 -3.296 1.00 0.00 O ATOM 766 CB LYS A 51 3.709 -5.627 -1.357 1.00 0.00 C ATOM 767 CG LYS A 51 4.716 -6.360 -2.231 1.00 0.00 C ATOM 768 CD LYS A 51 4.049 -6.996 -3.440 1.00 0.00 C ATOM 769 CE LYS A 51 5.025 -7.163 -4.595 1.00 0.00 C ATOM 770 NZ LYS A 51 4.958 -8.529 -5.185 1.00 0.00 N ATOM 0 H LYS A 51 2.354 -4.143 0.079 1.00 0.00 H new ATOM 0 HA LYS A 51 4.993 -3.955 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.730 -6.055 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.707 -5.793 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.485 -5.663 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.216 -7.130 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.643 -7.969 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.209 -6.379 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.806 -6.424 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.039 -6.968 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.638 -8.602 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.192 -9.234 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.997 -8.706 -5.542 1.00 0.00 H new ATOM 784 N GLN A 52 2.525 -3.331 -3.047 1.00 0.00 N ATOM 785 CA GLN A 52 2.212 -2.729 -4.338 1.00 0.00 C ATOM 786 C GLN A 52 2.695 -1.283 -4.398 1.00 0.00 C ATOM 787 O GLN A 52 3.238 -0.843 -5.412 1.00 0.00 O ATOM 788 CB GLN A 52 0.705 -2.786 -4.596 1.00 0.00 C ATOM 789 CG GLN A 52 0.256 -4.060 -5.294 1.00 0.00 C ATOM 790 CD GLN A 52 -1.249 -4.127 -5.472 1.00 0.00 C ATOM 791 OE1 GLN A 52 -1.806 -3.500 -6.373 1.00 0.00 O ATOM 792 NE2 GLN A 52 -1.914 -4.889 -4.612 1.00 0.00 N ATOM 0 H GLN A 52 1.709 -3.623 -2.509 1.00 0.00 H new ATOM 0 HA GLN A 52 2.730 -3.297 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.178 -2.697 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.416 -1.928 -5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.737 -4.124 -6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.589 -4.923 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.411 -5.391 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.928 -4.972 -4.683 1.00 0.00 H new ATOM 801 N ARG A 53 2.492 -0.549 -3.309 1.00 0.00 N ATOM 802 CA ARG A 53 2.905 0.848 -3.240 1.00 0.00 C ATOM 803 C ARG A 53 4.426 0.968 -3.200 1.00 0.00 C ATOM 804 O ARG A 53 4.993 1.952 -3.676 1.00 0.00 O ATOM 805 CB ARG A 53 2.297 1.520 -2.008 1.00 0.00 C ATOM 806 CG ARG A 53 2.279 3.038 -2.091 1.00 0.00 C ATOM 807 CD ARG A 53 1.277 3.526 -3.125 1.00 0.00 C ATOM 808 NE ARG A 53 0.764 4.856 -2.803 1.00 0.00 N ATOM 809 CZ ARG A 53 -0.349 5.367 -3.325 1.00 0.00 C ATOM 810 NH1 ARG A 53 -1.067 4.665 -4.192 1.00 0.00 N ATOM 811 NH2 ARG A 53 -0.745 6.585 -2.978 1.00 0.00 N ATOM 0 H ARG A 53 2.044 -0.898 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 53 2.544 1.351 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.277 1.159 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.860 1.219 -1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.029 3.454 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.274 3.402 -2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.750 3.548 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.447 2.822 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 53 1.289 5.426 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.767 3.728 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.919 5.062 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.197 7.129 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.598 6.977 -3.378 1.00 0.00 H new ATOM 825 N LEU A 54 5.080 -0.038 -2.630 1.00 0.00 N ATOM 826 CA LEU A 54 6.536 -0.044 -2.527 1.00 0.00 C ATOM 827 C LEU A 54 7.183 -0.042 -3.909 1.00 0.00 C ATOM 828 O LEU A 54 8.271 0.501 -4.094 1.00 0.00 O ATOM 829 CB LEU A 54 7.005 -1.265 -1.733 1.00 0.00 C ATOM 830 CG LEU A 54 6.974 -1.101 -0.213 1.00 0.00 C ATOM 831 CD1 LEU A 54 6.837 -2.454 0.466 1.00 0.00 C ATOM 832 CD2 LEU A 54 8.224 -0.382 0.270 1.00 0.00 C ATOM 0 H LEU A 54 4.626 -0.860 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 54 6.841 0.862 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.381 -2.117 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.024 -1.507 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 54 6.107 -0.496 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.817 -2.318 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.912 -2.931 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.684 -3.084 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.186 -0.274 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.106 -0.960 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.278 0.604 -0.191 1.00 0.00 H new ATOM 844 N ALA A 55 6.507 -0.656 -4.874 1.00 0.00 N ATOM 845 CA ALA A 55 7.017 -0.727 -6.239 1.00 0.00 C ATOM 846 C ALA A 55 7.222 0.666 -6.825 1.00 0.00 C ATOM 847 O ALA A 55 8.093 0.871 -7.670 1.00 0.00 O ATOM 848 CB ALA A 55 6.071 -1.537 -7.112 1.00 0.00 C ATOM 0 H ALA A 55 5.605 -1.112 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 55 7.987 -1.224 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.463 -1.583 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.982 -2.547 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.090 -1.063 -7.122 1.00 0.00 H new ATOM 854 N GLU A 56 6.414 1.618 -6.374 1.00 0.00 N ATOM 855 CA GLU A 56 6.507 2.992 -6.858 1.00 0.00 C ATOM 856 C GLU A 56 7.511 3.798 -6.037 1.00 0.00 C ATOM 857 O GLU A 56 8.078 4.777 -6.521 1.00 0.00 O ATOM 858 CB GLU A 56 5.133 3.666 -6.808 1.00 0.00 C ATOM 859 CG GLU A 56 4.347 3.539 -8.103 1.00 0.00 C ATOM 860 CD GLU A 56 4.245 4.852 -8.856 1.00 0.00 C ATOM 861 OE1 GLU A 56 3.597 5.784 -8.335 1.00 0.00 O ATOM 862 OE2 GLU A 56 4.811 4.946 -9.965 1.00 0.00 O ATOM 0 H GLU A 56 5.687 1.465 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 56 6.855 2.961 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.552 3.229 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.264 4.723 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.823 2.795 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.345 3.173 -7.881 1.00 0.00 H new ATOM 869 N TRP A 57 7.725 3.382 -4.792 1.00 0.00 N ATOM 870 CA TRP A 57 8.658 4.069 -3.907 1.00 0.00 C ATOM 871 C TRP A 57 10.103 3.801 -4.317 1.00 0.00 C ATOM 872 O TRP A 57 10.947 4.695 -4.274 1.00 0.00 O ATOM 873 CB TRP A 57 8.438 3.628 -2.459 1.00 0.00 C ATOM 874 CG TRP A 57 9.215 4.437 -1.466 1.00 0.00 C ATOM 875 CD1 TRP A 57 8.965 5.723 -1.082 1.00 0.00 C ATOM 876 CD2 TRP A 57 10.367 4.014 -0.730 1.00 0.00 C ATOM 877 NE1 TRP A 57 9.892 6.126 -0.153 1.00 0.00 N ATOM 878 CE2 TRP A 57 10.764 5.095 0.080 1.00 0.00 C ATOM 879 CE3 TRP A 57 11.104 2.827 -0.677 1.00 0.00 C ATOM 880 CZ2 TRP A 57 11.863 5.023 0.932 1.00 0.00 C ATOM 881 CZ3 TRP A 57 12.194 2.757 0.169 1.00 0.00 C ATOM 882 CH2 TRP A 57 12.565 3.848 0.964 1.00 0.00 C ATOM 0 H TRP A 57 7.265 2.573 -4.374 1.00 0.00 H new ATOM 0 HA TRP A 57 8.471 5.140 -3.988 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.376 3.699 -2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 57 8.717 2.579 -2.360 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.156 6.334 -1.455 1.00 0.00 H new ATOM 0 HE1 TRP A 57 9.926 7.043 0.291 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.826 1.980 -1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.151 5.864 1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 12.770 1.845 0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 57 13.422 3.761 1.615 1.00 0.00 H new ATOM 893 N ARG A 58 10.381 2.562 -4.713 1.00 0.00 N ATOM 894 CA ARG A 58 11.724 2.175 -5.129 1.00 0.00 C ATOM 895 C ARG A 58 12.203 3.026 -6.302 1.00 0.00 C ATOM 896 O ARG A 58 13.329 3.522 -6.302 1.00 0.00 O ATOM 897 CB ARG A 58 11.756 0.695 -5.512 1.00 0.00 C ATOM 898 CG ARG A 58 11.652 -0.244 -4.322 1.00 0.00 C ATOM 899 CD ARG A 58 12.343 -1.570 -4.596 1.00 0.00 C ATOM 900 NE ARG A 58 13.660 -1.642 -3.967 1.00 0.00 N ATOM 901 CZ ARG A 58 14.508 -2.653 -4.137 1.00 0.00 C ATOM 902 NH1 ARG A 58 14.183 -3.678 -4.914 1.00 0.00 N ATOM 903 NH2 ARG A 58 15.687 -2.638 -3.528 1.00 0.00 N ATOM 0 H ARG A 58 9.694 1.809 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 58 12.396 2.341 -4.287 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.936 0.489 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.682 0.487 -6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.099 0.226 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.602 -0.421 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.721 -2.386 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.447 -1.709 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 58 13.946 -0.872 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.279 -3.694 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.838 -4.450 -5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.942 -1.852 -2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.338 -3.413 -3.658 1.00 0.00 H new ATOM 917 N ARG A 59 11.340 3.189 -7.299 1.00 0.00 N ATOM 918 CA ARG A 59 11.677 3.978 -8.479 1.00 0.00 C ATOM 919 C ARG A 59 11.838 5.452 -8.123 1.00 0.00 C ATOM 920 O ARG A 59 12.749 6.122 -8.610 1.00 0.00 O ATOM 921 CB ARG A 59 10.599 3.814 -9.551 1.00 0.00 C ATOM 922 CG ARG A 59 10.336 2.367 -9.933 1.00 0.00 C ATOM 923 CD ARG A 59 11.530 1.755 -10.649 1.00 0.00 C ATOM 924 NE ARG A 59 11.465 1.961 -12.094 1.00 0.00 N ATOM 925 CZ ARG A 59 10.616 1.323 -12.896 1.00 0.00 C ATOM 926 NH1 ARG A 59 9.762 0.436 -12.399 1.00 0.00 N ATOM 927 NH2 ARG A 59 10.622 1.570 -14.199 1.00 0.00 N ATOM 0 H ARG A 59 10.403 2.786 -7.314 1.00 0.00 H new ATOM 0 HA ARG A 59 12.627 3.613 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.671 4.261 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.897 4.368 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.111 1.788 -9.037 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.458 2.313 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.449 2.194 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.572 0.687 -10.436 1.00 0.00 H new ATOM 0 HE ARG A 59 12.108 2.633 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.754 0.241 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.113 -0.050 -13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.277 2.249 -14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.971 1.081 -14.814 1.00 0.00 H new ATOM 941 N SER A 60 10.949 5.952 -7.270 1.00 0.00 N ATOM 942 CA SER A 60 10.995 7.348 -6.851 1.00 0.00 C ATOM 943 C SER A 60 12.291 7.649 -6.107 1.00 0.00 C ATOM 944 O SER A 60 13.092 8.475 -6.546 1.00 0.00 O ATOM 945 CB SER A 60 9.794 7.674 -5.960 1.00 0.00 C ATOM 946 OG SER A 60 9.705 6.770 -4.872 1.00 0.00 O ATOM 0 H SER A 60 10.189 5.412 -6.856 1.00 0.00 H new ATOM 0 HA SER A 60 10.956 7.972 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.883 8.693 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.878 7.630 -6.549 1.00 0.00 H new ATOM 0 HG SER A 60 10.277 5.993 -5.044 1.00 0.00 H new ATOM 952 N GLU A 61 12.492 6.974 -4.979 1.00 0.00 N ATOM 953 CA GLU A 61 13.693 7.170 -4.175 1.00 0.00 C ATOM 954 C GLU A 61 14.930 6.668 -4.914 1.00 0.00 C ATOM 955 O GLU A 61 15.830 7.443 -5.236 1.00 0.00 O ATOM 956 CB GLU A 61 13.558 6.447 -2.835 1.00 0.00 C ATOM 957 CG GLU A 61 12.907 7.292 -1.750 1.00 0.00 C ATOM 958 CD GLU A 61 13.924 8.019 -0.892 1.00 0.00 C ATOM 959 OE1 GLU A 61 14.988 7.433 -0.605 1.00 0.00 O ATOM 960 OE2 GLU A 61 13.655 9.177 -0.508 1.00 0.00 O ATOM 0 H GLU A 61 11.839 6.287 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 61 13.808 8.239 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.971 5.540 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.547 6.137 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.240 8.020 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.292 6.653 -1.116 1.00 0.00 H new ATOM 967 N GLY A 62 14.967 5.365 -5.176 1.00 0.00 N ATOM 968 CA GLY A 62 16.097 4.781 -5.873 1.00 0.00 C ATOM 969 C GLY A 62 17.126 4.199 -4.924 1.00 0.00 C ATOM 970 O GLY A 62 17.889 4.935 -4.298 1.00 0.00 O ATOM 0 H GLY A 62 14.234 4.704 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.742 3.998 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.570 5.542 -6.494 1.00 0.00 H new ATOM 974 N LEU A 63 17.146 2.875 -4.816 1.00 0.00 N ATOM 975 CA LEU A 63 18.088 2.194 -3.935 1.00 0.00 C ATOM 976 C LEU A 63 19.011 1.275 -4.732 1.00 0.00 C ATOM 977 O LEU A 63 18.648 0.798 -5.808 1.00 0.00 O ATOM 978 CB LEU A 63 17.335 1.387 -2.875 1.00 0.00 C ATOM 979 CG LEU A 63 17.051 2.137 -1.572 1.00 0.00 C ATOM 980 CD1 LEU A 63 15.991 3.206 -1.791 1.00 0.00 C ATOM 981 CD2 LEU A 63 16.617 1.168 -0.484 1.00 0.00 C ATOM 0 H LEU A 63 16.521 2.252 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 63 18.697 2.950 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 63 16.388 1.054 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 63 17.913 0.492 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 63 17.970 2.627 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.802 3.729 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.341 3.917 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.069 2.739 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.419 1.718 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.711 0.650 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.409 0.440 -0.308 1.00 0.00 H new ATOM 993 N PRO A 64 20.223 1.014 -4.212 1.00 0.00 N ATOM 994 CA PRO A 64 21.199 0.146 -4.880 1.00 0.00 C ATOM 995 C PRO A 64 20.768 -1.316 -4.879 1.00 0.00 C ATOM 996 O PRO A 64 19.773 -1.681 -4.253 1.00 0.00 O ATOM 997 CB PRO A 64 22.469 0.332 -4.047 1.00 0.00 C ATOM 998 CG PRO A 64 21.983 0.736 -2.699 1.00 0.00 C ATOM 999 CD PRO A 64 20.735 1.541 -2.933 1.00 0.00 C ATOM 0 HA PRO A 64 21.323 0.405 -5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 64 23.049 -0.590 -3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 64 23.117 1.094 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 64 21.774 -0.138 -2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 64 22.735 1.325 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 64 20.014 1.408 -2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 64 20.951 2.608 -2.995 1.00 0.00 H new ATOM 1007 N SER A 65 21.526 -2.151 -5.583 1.00 0.00 N ATOM 1008 CA SER A 65 21.224 -3.575 -5.663 1.00 0.00 C ATOM 1009 C SER A 65 22.400 -4.410 -5.168 1.00 0.00 C ATOM 1010 O SER A 65 23.500 -4.337 -5.715 1.00 0.00 O ATOM 1011 CB SER A 65 20.876 -3.964 -7.101 1.00 0.00 C ATOM 1012 OG SER A 65 20.103 -5.151 -7.136 1.00 0.00 O ATOM 0 H SER A 65 22.354 -1.866 -6.106 1.00 0.00 H new ATOM 0 HA SER A 65 20.365 -3.775 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.325 -3.153 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 65 21.792 -4.106 -7.674 1.00 0.00 H new ATOM 0 HG SER A 65 19.892 -5.377 -8.066 1.00 0.00 H new ATOM 1018 N GLU A 66 22.159 -5.205 -4.131 1.00 0.00 N ATOM 1019 CA GLU A 66 23.199 -6.056 -3.563 1.00 0.00 C ATOM 1020 C GLU A 66 22.693 -7.484 -3.385 1.00 0.00 C ATOM 1021 O GLU A 66 21.492 -7.715 -3.244 1.00 0.00 O ATOM 1022 CB GLU A 66 23.669 -5.496 -2.219 1.00 0.00 C ATOM 1023 CG GLU A 66 25.152 -5.704 -1.959 1.00 0.00 C ATOM 1024 CD GLU A 66 26.011 -4.626 -2.589 1.00 0.00 C ATOM 1025 OE1 GLU A 66 25.587 -4.053 -3.616 1.00 0.00 O ATOM 1026 OE2 GLU A 66 27.109 -4.354 -2.059 1.00 0.00 O ATOM 0 H GLU A 66 21.254 -5.278 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 66 24.041 -6.071 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 66 23.448 -4.429 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.099 -5.968 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 66 25.329 -5.723 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 66 25.452 -6.677 -2.349 1.00 0.00 H new ATOM 1033 N CYS A 67 23.618 -8.438 -3.394 1.00 0.00 N ATOM 1034 CA CYS A 67 23.266 -9.845 -3.233 1.00 0.00 C ATOM 1035 C CYS A 67 23.516 -10.309 -1.802 1.00 0.00 C ATOM 1036 O CYS A 67 22.695 -11.012 -1.215 1.00 0.00 O ATOM 1037 CB CYS A 67 24.069 -10.706 -4.209 1.00 0.00 C ATOM 1038 SG CYS A 67 23.436 -10.690 -5.902 1.00 0.00 S ATOM 0 H CYS A 67 24.616 -8.263 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 67 22.204 -9.956 -3.450 1.00 0.00 H new ATOM 0 HB2 CYS A 67 25.103 -10.360 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 67 24.079 -11.734 -3.846 1.00 0.00 H new ATOM 0 HG CYS A 67 24.183 -11.445 -6.652 1.00 0.00 H new ATOM 1044 N ARG A 68 24.655 -9.909 -1.246 1.00 0.00 N ATOM 1045 CA ARG A 68 25.012 -10.285 0.118 1.00 0.00 C ATOM 1046 C ARG A 68 24.462 -9.275 1.119 1.00 0.00 C ATOM 1047 O ARG A 68 24.850 -8.107 1.116 1.00 0.00 O ATOM 1048 CB ARG A 68 26.532 -10.392 0.260 1.00 0.00 C ATOM 1049 CG ARG A 68 26.980 -11.549 1.138 1.00 0.00 C ATOM 1050 CD ARG A 68 26.354 -11.474 2.520 1.00 0.00 C ATOM 1051 NE ARG A 68 26.517 -12.723 3.262 1.00 0.00 N ATOM 1052 CZ ARG A 68 25.791 -13.051 4.329 1.00 0.00 C ATOM 1053 NH1 ARG A 68 24.849 -12.231 4.778 1.00 0.00 N ATOM 1054 NH2 ARG A 68 26.007 -14.203 4.949 1.00 0.00 N ATOM 0 H ARG A 68 25.346 -9.325 -1.718 1.00 0.00 H new ATOM 0 HA ARG A 68 24.568 -11.258 0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 68 26.974 -10.505 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 68 26.916 -9.461 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 68 26.708 -12.493 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 68 28.066 -11.539 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 68 26.809 -10.657 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 68 25.293 -11.244 2.426 1.00 0.00 H new ATOM 0 HE ARG A 68 27.228 -13.381 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 68 24.678 -11.344 4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.296 -12.488 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 68 26.729 -14.838 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 68 25.451 -14.454 5.766 1.00 0.00 H new ATOM 1068 N SER A 69 23.554 -9.734 1.973 1.00 0.00 N ATOM 1069 CA SER A 69 22.947 -8.872 2.981 1.00 0.00 C ATOM 1070 C SER A 69 23.986 -8.397 3.991 1.00 0.00 C ATOM 1071 O SER A 69 25.179 -8.662 3.842 1.00 0.00 O ATOM 1072 CB SER A 69 21.817 -9.612 3.699 1.00 0.00 C ATOM 1073 OG SER A 69 21.977 -11.017 3.589 1.00 0.00 O ATOM 0 H SER A 69 23.222 -10.698 1.988 1.00 0.00 H new ATOM 0 HA SER A 69 22.536 -7.998 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.801 -9.326 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.857 -9.318 3.274 1.00 0.00 H new ATOM 0 HG SER A 69 21.243 -11.467 4.057 1.00 0.00 H new ATOM 1079 N VAL A 70 23.524 -7.694 5.021 1.00 0.00 N ATOM 1080 CA VAL A 70 24.413 -7.182 6.056 1.00 0.00 C ATOM 1081 C VAL A 70 24.191 -7.911 7.377 1.00 0.00 C ATOM 1082 O VAL A 70 23.203 -8.625 7.545 1.00 0.00 O ATOM 1083 CB VAL A 70 24.208 -5.672 6.276 1.00 0.00 C ATOM 1084 CG1 VAL A 70 24.681 -4.886 5.064 1.00 0.00 C ATOM 1085 CG2 VAL A 70 22.749 -5.370 6.581 1.00 0.00 C ATOM 0 H VAL A 70 22.539 -7.467 5.160 1.00 0.00 H new ATOM 0 HA VAL A 70 25.433 -7.356 5.713 1.00 0.00 H new ATOM 0 HB VAL A 70 24.806 -5.364 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.528 -3.821 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.741 -5.078 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.114 -5.195 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.624 -4.298 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 70 22.128 -5.693 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 70 22.448 -5.902 7.483 1.00 0.00 H new ATOM 1095 N THR A 71 25.118 -7.727 8.312 1.00 0.00 N ATOM 1096 CA THR A 71 25.022 -8.368 9.619 1.00 0.00 C ATOM 1097 C THR A 71 25.126 -7.339 10.739 1.00 0.00 C ATOM 1098 O THR A 71 25.998 -6.470 10.720 1.00 0.00 O ATOM 1099 CB THR A 71 26.121 -9.421 9.774 1.00 0.00 C ATOM 1100 OG1 THR A 71 27.364 -8.921 9.312 1.00 0.00 O ATOM 1101 CG2 THR A 71 25.833 -10.702 9.020 1.00 0.00 C ATOM 0 H THR A 71 25.943 -7.140 8.189 1.00 0.00 H new ATOM 0 HA THR A 71 24.049 -8.854 9.687 1.00 0.00 H new ATOM 0 HB THR A 71 26.157 -9.646 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.446 -7.975 9.554 1.00 0.00 H new ATOM 0 HG21 THR A 71 26.651 -11.406 9.172 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.905 -11.140 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.735 -10.484 7.957 1.00 0.00 H new ATOM 1109 N ASP A 72 24.230 -7.443 11.715 1.00 0.00 N ATOM 1110 CA ASP A 72 24.219 -6.521 12.845 1.00 0.00 C ATOM 1111 C ASP A 72 23.996 -5.087 12.375 1.00 0.00 C ATOM 1112 O ASP A 72 24.985 -4.434 11.982 1.00 0.00 O ATOM 1113 CB ASP A 72 25.531 -6.617 13.623 1.00 0.00 C ATOM 1114 CG ASP A 72 25.331 -6.452 15.116 1.00 0.00 C ATOM 1115 OD1 ASP A 72 24.545 -7.227 15.699 1.00 0.00 O ATOM 1116 OD2 ASP A 72 25.961 -5.547 15.703 1.00 0.00 O ATOM 1117 OXT ASP A 72 22.835 -4.629 12.403 1.00 0.00 O ATOM 0 H ASP A 72 23.502 -8.157 11.746 1.00 0.00 H new ATOM 0 HA ASP A 72 23.395 -6.801 13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 72 25.997 -7.582 13.426 1.00 0.00 H new ATOM 0 HB3 ASP A 72 26.220 -5.852 13.265 1.00 0.00 H new TER 1122 ASP A 72