USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 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 38 ASN : amide:sc= -2.25! C(o=-1.3!,f=-9.8!) USER MOD Set 1.2: A 40 SER OG : rot 83:sc= 0.912 USER MOD Set 2.1: A 16 TYR OH : rot -134:sc= -0.337 USER MOD Set 2.2: A 23 GLN : amide:sc= -1.59 K(o=-1.9,f=-12!) USER MOD Set 3.1: A 13 THR OG1 : rot -12:sc= 0.109 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.259 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 11 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 19 SER OG : rot 42:sc= 0.177 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 14:sc= 0.15 USER MOD Single : A 30 GLN : amide:sc= -2.81 X(o=-2.8,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 0.357 (180deg=0.121) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.629 K(o=-0.63,f=-3.6) USER MOD Single : A 48 GLN : amide:sc= -1.95! C(o=-1.9!,f=-3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.498 K(o=-0.5,f=-3.7!) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0346 (180deg=-0.285) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -3.56! C(o=-3.6!,f=-9.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 71 SER OG : rot 32:sc= 0.826 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.327 18.579 -6.578 1.00 0.00 N ATOM 2 CA GLY A 1 -4.791 19.355 -5.473 1.00 0.00 C ATOM 3 C GLY A 1 -5.228 18.769 -4.129 1.00 0.00 C ATOM 4 O GLY A 1 -6.378 18.931 -3.721 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.016 18.997 -7.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.983 17.600 -6.514 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.366 18.584 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.703 19.372 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.130 20.388 -5.551 1.00 0.00 H new ATOM 8 N SER A 2 -4.288 18.101 -3.476 1.00 0.00 N ATOM 9 CA SER A 2 -4.562 17.491 -2.187 1.00 0.00 C ATOM 10 C SER A 2 -5.659 16.434 -2.330 1.00 0.00 C ATOM 11 O SER A 2 -6.787 16.751 -2.706 1.00 0.00 O ATOM 12 CB SER A 2 -4.971 18.543 -1.155 1.00 0.00 C ATOM 13 OG SER A 2 -3.884 19.392 -0.798 1.00 0.00 O ATOM 0 H SER A 2 -3.336 17.969 -3.816 1.00 0.00 H new ATOM 0 HA SER A 2 -3.648 17.012 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.786 19.146 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.351 18.046 -0.262 1.00 0.00 H new ATOM 0 HG SER A 2 -4.186 20.051 -0.139 1.00 0.00 H new ATOM 19 N SER A 3 -5.290 15.199 -2.024 1.00 0.00 N ATOM 20 CA SER A 3 -6.229 14.093 -2.114 1.00 0.00 C ATOM 21 C SER A 3 -5.759 12.934 -1.233 1.00 0.00 C ATOM 22 O SER A 3 -6.481 12.499 -0.337 1.00 0.00 O ATOM 23 CB SER A 3 -6.392 13.626 -3.562 1.00 0.00 C ATOM 24 OG SER A 3 -7.497 14.257 -4.205 1.00 0.00 O ATOM 0 H SER A 3 -4.354 14.939 -1.713 1.00 0.00 H new ATOM 0 HA SER A 3 -7.200 14.439 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.479 13.840 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.530 12.545 -3.581 1.00 0.00 H new ATOM 0 HG SER A 3 -7.562 15.188 -3.906 1.00 0.00 H new ATOM 30 N GLY A 4 -4.552 12.468 -1.518 1.00 0.00 N ATOM 31 CA GLY A 4 -3.977 11.368 -0.762 1.00 0.00 C ATOM 32 C GLY A 4 -2.519 11.655 -0.398 1.00 0.00 C ATOM 33 O GLY A 4 -1.618 11.430 -1.205 1.00 0.00 O ATOM 0 H GLY A 4 -3.956 12.832 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.557 11.204 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.035 10.450 -1.347 1.00 0.00 H new ATOM 37 N SER A 5 -2.331 12.148 0.817 1.00 0.00 N ATOM 38 CA SER A 5 -0.998 12.469 1.297 1.00 0.00 C ATOM 39 C SER A 5 -0.768 11.831 2.669 1.00 0.00 C ATOM 40 O SER A 5 0.111 10.985 2.824 1.00 0.00 O ATOM 41 CB SER A 5 -0.789 13.983 1.374 1.00 0.00 C ATOM 42 OG SER A 5 0.318 14.410 0.586 1.00 0.00 O ATOM 0 H SER A 5 -3.080 12.333 1.484 1.00 0.00 H new ATOM 0 HA SER A 5 -0.274 12.065 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.692 14.491 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.629 14.274 2.412 1.00 0.00 H new ATOM 0 HG SER A 5 0.417 15.382 0.660 1.00 0.00 H new ATOM 48 N SER A 6 -1.574 12.260 3.628 1.00 0.00 N ATOM 49 CA SER A 6 -1.470 11.742 4.982 1.00 0.00 C ATOM 50 C SER A 6 -1.662 10.224 4.976 1.00 0.00 C ATOM 51 O SER A 6 -2.791 9.737 5.003 1.00 0.00 O ATOM 52 CB SER A 6 -2.495 12.403 5.905 1.00 0.00 C ATOM 53 OG SER A 6 -1.893 12.910 7.094 1.00 0.00 O ATOM 0 H SER A 6 -2.303 12.961 3.495 1.00 0.00 H new ATOM 0 HA SER A 6 -0.476 11.975 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.990 13.216 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.266 11.679 6.169 1.00 0.00 H new ATOM 0 HG SER A 6 -2.579 13.326 7.656 1.00 0.00 H new ATOM 59 N GLY A 7 -0.541 9.518 4.942 1.00 0.00 N ATOM 60 CA GLY A 7 -0.572 8.065 4.933 1.00 0.00 C ATOM 61 C GLY A 7 0.265 7.506 3.780 1.00 0.00 C ATOM 62 O GLY A 7 0.343 8.114 2.713 1.00 0.00 O ATOM 0 H GLY A 7 0.394 9.925 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.192 7.684 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.602 7.720 4.840 1.00 0.00 H new ATOM 66 N GLU A 8 0.870 6.355 4.034 1.00 0.00 N ATOM 67 CA GLU A 8 1.699 5.708 3.031 1.00 0.00 C ATOM 68 C GLU A 8 0.826 5.129 1.915 1.00 0.00 C ATOM 69 O GLU A 8 -0.015 4.267 2.164 1.00 0.00 O ATOM 70 CB GLU A 8 2.575 4.623 3.661 1.00 0.00 C ATOM 71 CG GLU A 8 4.016 5.109 3.825 1.00 0.00 C ATOM 72 CD GLU A 8 5.006 3.955 3.657 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.608 2.814 3.977 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.139 4.240 3.212 1.00 0.00 O ATOM 0 H GLU A 8 0.803 5.854 4.920 1.00 0.00 H new ATOM 0 HA GLU A 8 2.362 6.457 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.169 4.342 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.558 3.729 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.228 5.885 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.142 5.560 4.809 1.00 0.00 H new ATOM 81 N ILE A 9 1.056 5.627 0.709 1.00 0.00 N ATOM 82 CA ILE A 9 0.302 5.170 -0.445 1.00 0.00 C ATOM 83 C ILE A 9 1.055 4.021 -1.119 1.00 0.00 C ATOM 84 O ILE A 9 2.284 4.021 -1.163 1.00 0.00 O ATOM 85 CB ILE A 9 -0.002 6.340 -1.383 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.157 7.187 -0.846 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.267 5.846 -2.807 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.465 6.392 -0.841 1.00 0.00 C ATOM 0 H ILE A 9 1.754 6.343 0.506 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.667 4.778 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 9 0.877 6.983 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.927 7.522 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.273 8.081 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.480 6.697 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.612 5.319 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.121 5.169 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.270 7.018 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.705 6.079 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.354 5.512 -0.207 1.00 0.00 H new ATOM 100 N ALA A 10 0.286 3.070 -1.627 1.00 0.00 N ATOM 101 CA ALA A 10 0.865 1.917 -2.297 1.00 0.00 C ATOM 102 C ALA A 10 0.101 1.650 -3.595 1.00 0.00 C ATOM 103 O ALA A 10 -1.128 1.586 -3.595 1.00 0.00 O ATOM 104 CB ALA A 10 0.847 0.715 -1.351 1.00 0.00 C ATOM 0 H ALA A 10 -0.733 3.074 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 10 1.905 2.108 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.281 -0.150 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.428 0.946 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.181 0.491 -1.067 1.00 0.00 H new ATOM 110 N GLN A 11 0.859 1.500 -4.671 1.00 0.00 N ATOM 111 CA GLN A 11 0.269 1.241 -5.973 1.00 0.00 C ATOM 112 C GLN A 11 0.207 -0.265 -6.238 1.00 0.00 C ATOM 113 O GLN A 11 1.234 -0.942 -6.235 1.00 0.00 O ATOM 114 CB GLN A 11 1.043 1.961 -7.079 1.00 0.00 C ATOM 115 CG GLN A 11 0.401 1.716 -8.446 1.00 0.00 C ATOM 116 CD GLN A 11 0.675 2.883 -9.397 1.00 0.00 C ATOM 117 OE1 GLN A 11 1.690 3.557 -9.319 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.283 3.084 -10.298 1.00 0.00 N ATOM 0 H GLN A 11 1.878 1.553 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.748 1.632 -5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.069 3.031 -6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.076 1.613 -7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.791 0.793 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.674 1.583 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.107 2.483 -10.309 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.193 3.839 -10.978 1.00 0.00 H new ATOM 127 N VAL A 12 -1.008 -0.744 -6.460 1.00 0.00 N ATOM 128 CA VAL A 12 -1.218 -2.157 -6.726 1.00 0.00 C ATOM 129 C VAL A 12 -0.406 -2.566 -7.956 1.00 0.00 C ATOM 130 O VAL A 12 -0.384 -1.850 -8.956 1.00 0.00 O ATOM 131 CB VAL A 12 -2.713 -2.446 -6.873 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.957 -3.923 -7.191 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.479 -2.021 -5.619 1.00 0.00 C ATOM 0 H VAL A 12 -1.857 -0.179 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.866 -2.759 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.088 -1.857 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.028 -4.102 -7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.458 -4.181 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.560 -4.539 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.539 -2.237 -5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.100 -2.571 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.344 -0.952 -5.455 1.00 0.00 H new ATOM 143 N THR A 13 0.242 -3.717 -7.843 1.00 0.00 N ATOM 144 CA THR A 13 1.053 -4.229 -8.934 1.00 0.00 C ATOM 145 C THR A 13 0.461 -5.534 -9.471 1.00 0.00 C ATOM 146 O THR A 13 0.633 -5.861 -10.644 1.00 0.00 O ATOM 147 CB THR A 13 2.489 -4.377 -8.427 1.00 0.00 C ATOM 148 OG1 THR A 13 2.392 -5.347 -7.388 1.00 0.00 O ATOM 149 CG2 THR A 13 2.991 -3.118 -7.717 1.00 0.00 C ATOM 0 H THR A 13 0.221 -4.309 -7.013 1.00 0.00 H new ATOM 0 HA THR A 13 1.061 -3.540 -9.778 1.00 0.00 H new ATOM 0 HB THR A 13 3.148 -4.609 -9.264 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.449 -5.491 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.014 -3.276 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.964 -2.275 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.353 -2.905 -6.860 1.00 0.00 H new ATOM 157 N SER A 14 -0.223 -6.244 -8.586 1.00 0.00 N ATOM 158 CA SER A 14 -0.842 -7.506 -8.956 1.00 0.00 C ATOM 159 C SER A 14 -2.217 -7.628 -8.298 1.00 0.00 C ATOM 160 O SER A 14 -2.363 -7.369 -7.104 1.00 0.00 O ATOM 161 CB SER A 14 0.043 -8.690 -8.561 1.00 0.00 C ATOM 162 OG SER A 14 1.429 -8.366 -8.626 1.00 0.00 O ATOM 0 H SER A 14 -0.362 -5.970 -7.614 1.00 0.00 H new ATOM 0 HA SER A 14 -0.963 -7.523 -10.039 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.208 -9.008 -7.549 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.164 -9.533 -9.221 1.00 0.00 H new ATOM 0 HG SER A 14 1.960 -9.147 -8.365 1.00 0.00 H new ATOM 168 N ALA A 15 -3.191 -8.022 -9.105 1.00 0.00 N ATOM 169 CA ALA A 15 -4.550 -8.182 -8.615 1.00 0.00 C ATOM 170 C ALA A 15 -4.574 -9.262 -7.532 1.00 0.00 C ATOM 171 O ALA A 15 -3.868 -10.264 -7.634 1.00 0.00 O ATOM 172 CB ALA A 15 -5.479 -8.509 -9.786 1.00 0.00 C ATOM 0 H ALA A 15 -3.066 -8.235 -10.095 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.907 -7.256 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.498 -8.629 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.448 -7.697 -10.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.153 -9.434 -10.262 1.00 0.00 H new ATOM 178 N TYR A 16 -5.393 -9.021 -6.519 1.00 0.00 N ATOM 179 CA TYR A 16 -5.518 -9.961 -5.418 1.00 0.00 C ATOM 180 C TYR A 16 -6.988 -10.223 -5.084 1.00 0.00 C ATOM 181 O TYR A 16 -7.850 -9.390 -5.364 1.00 0.00 O ATOM 182 CB TYR A 16 -4.846 -9.294 -4.216 1.00 0.00 C ATOM 183 CG TYR A 16 -5.078 -10.022 -2.891 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.243 -11.054 -2.514 1.00 0.00 C ATOM 185 CD2 TYR A 16 -6.123 -9.646 -2.071 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.462 -11.739 -1.266 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.342 -10.330 -0.823 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.501 -11.343 -0.482 1.00 0.00 C ATOM 189 OH TYR A 16 -5.707 -11.990 0.696 1.00 0.00 O ATOM 0 H TYR A 16 -5.977 -8.188 -6.437 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.061 -10.917 -5.676 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.774 -9.231 -4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.215 -8.272 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.425 -11.348 -3.155 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.777 -8.838 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.816 -12.549 -0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.156 -10.045 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.660 -12.200 0.792 1.00 0.00 H new ATOM 199 N VAL A 17 -7.230 -11.382 -4.492 1.00 0.00 N ATOM 200 CA VAL A 17 -8.581 -11.764 -4.117 1.00 0.00 C ATOM 201 C VAL A 17 -8.592 -12.216 -2.655 1.00 0.00 C ATOM 202 O VAL A 17 -8.080 -13.285 -2.328 1.00 0.00 O ATOM 203 CB VAL A 17 -9.108 -12.833 -5.077 1.00 0.00 C ATOM 204 CG1 VAL A 17 -10.551 -13.212 -4.736 1.00 0.00 C ATOM 205 CG2 VAL A 17 -8.991 -12.370 -6.530 1.00 0.00 C ATOM 0 H VAL A 17 -6.513 -12.070 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.255 -10.911 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.491 -13.724 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.902 -13.973 -5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.594 -13.603 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.187 -12.330 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.372 -13.148 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.572 -11.458 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.945 -12.173 -6.766 1.00 0.00 H new ATOM 215 N ALA A 18 -9.182 -11.378 -1.815 1.00 0.00 N ATOM 216 CA ALA A 18 -9.266 -11.677 -0.396 1.00 0.00 C ATOM 217 C ALA A 18 -10.009 -13.000 -0.201 1.00 0.00 C ATOM 218 O ALA A 18 -10.470 -13.606 -1.168 1.00 0.00 O ATOM 219 CB ALA A 18 -9.945 -10.515 0.332 1.00 0.00 C ATOM 0 H ALA A 18 -9.606 -10.492 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.270 -11.792 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.008 -10.740 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.363 -9.605 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.949 -10.371 -0.068 1.00 0.00 H new ATOM 225 N SER A 19 -10.104 -13.410 1.055 1.00 0.00 N ATOM 226 CA SER A 19 -10.783 -14.651 1.388 1.00 0.00 C ATOM 227 C SER A 19 -11.191 -14.644 2.863 1.00 0.00 C ATOM 228 O SER A 19 -12.326 -14.980 3.199 1.00 0.00 O ATOM 229 CB SER A 19 -9.898 -15.862 1.088 1.00 0.00 C ATOM 230 OG SER A 19 -10.213 -16.454 -0.170 1.00 0.00 O ATOM 0 H SER A 19 -9.722 -12.905 1.855 1.00 0.00 H new ATOM 0 HA SER A 19 -11.677 -14.728 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.852 -15.557 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.018 -16.603 1.878 1.00 0.00 H new ATOM 0 HG SER A 19 -10.367 -15.750 -0.834 1.00 0.00 H new ATOM 236 N GLY A 20 -10.243 -14.259 3.704 1.00 0.00 N ATOM 237 CA GLY A 20 -10.489 -14.204 5.135 1.00 0.00 C ATOM 238 C GLY A 20 -11.559 -13.163 5.468 1.00 0.00 C ATOM 239 O GLY A 20 -12.339 -12.770 4.602 1.00 0.00 O ATOM 0 H GLY A 20 -9.303 -13.982 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.807 -15.184 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.564 -13.960 5.657 1.00 0.00 H new ATOM 243 N SER A 21 -11.561 -12.745 6.725 1.00 0.00 N ATOM 244 CA SER A 21 -12.523 -11.756 7.184 1.00 0.00 C ATOM 245 C SER A 21 -11.844 -10.393 7.327 1.00 0.00 C ATOM 246 O SER A 21 -12.509 -9.358 7.303 1.00 0.00 O ATOM 247 CB SER A 21 -13.154 -12.177 8.512 1.00 0.00 C ATOM 248 OG SER A 21 -14.525 -11.796 8.596 1.00 0.00 O ATOM 0 H SER A 21 -10.912 -13.073 7.440 1.00 0.00 H new ATOM 0 HA SER A 21 -13.318 -11.682 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.070 -13.258 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.601 -11.725 9.336 1.00 0.00 H new ATOM 0 HG SER A 21 -14.892 -12.084 9.458 1.00 0.00 H new ATOM 254 N GLU A 22 -10.527 -10.435 7.473 1.00 0.00 N ATOM 255 CA GLU A 22 -9.751 -9.216 7.620 1.00 0.00 C ATOM 256 C GLU A 22 -8.823 -9.029 6.418 1.00 0.00 C ATOM 257 O GLU A 22 -7.668 -8.636 6.576 1.00 0.00 O ATOM 258 CB GLU A 22 -8.959 -9.225 8.928 1.00 0.00 C ATOM 259 CG GLU A 22 -7.992 -10.410 8.976 1.00 0.00 C ATOM 260 CD GLU A 22 -8.190 -11.227 10.255 1.00 0.00 C ATOM 261 OE1 GLU A 22 -7.986 -10.642 11.340 1.00 0.00 O ATOM 262 OE2 GLU A 22 -8.541 -12.419 10.118 1.00 0.00 O ATOM 0 H GLU A 22 -9.978 -11.295 7.493 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.440 -8.372 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.403 -8.293 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.646 -9.277 9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.148 -11.047 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.965 -10.048 8.926 1.00 0.00 H new ATOM 269 N GLN A 23 -9.362 -9.321 5.243 1.00 0.00 N ATOM 270 CA GLN A 23 -8.596 -9.191 4.015 1.00 0.00 C ATOM 271 C GLN A 23 -9.206 -8.109 3.122 1.00 0.00 C ATOM 272 O GLN A 23 -10.407 -7.848 3.188 1.00 0.00 O ATOM 273 CB GLN A 23 -8.512 -10.528 3.277 1.00 0.00 C ATOM 274 CG GLN A 23 -7.364 -11.382 3.820 1.00 0.00 C ATOM 275 CD GLN A 23 -7.331 -12.752 3.139 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.548 -12.886 1.946 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.047 -13.758 3.961 1.00 0.00 N ATOM 0 H GLN A 23 -10.320 -9.647 5.116 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.580 -8.892 4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.453 -11.067 3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.366 -10.351 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.416 -10.869 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.478 -11.509 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.876 -13.576 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.000 -14.712 3.603 1.00 0.00 H new ATOM 286 N LEU A 24 -8.352 -7.508 2.307 1.00 0.00 N ATOM 287 CA LEU A 24 -8.792 -6.460 1.401 1.00 0.00 C ATOM 288 C LEU A 24 -8.404 -6.834 -0.031 1.00 0.00 C ATOM 289 O LEU A 24 -7.253 -7.176 -0.297 1.00 0.00 O ATOM 290 CB LEU A 24 -8.250 -5.102 1.850 1.00 0.00 C ATOM 291 CG LEU A 24 -8.403 -3.955 0.849 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.866 -3.779 0.436 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.805 -2.660 1.403 1.00 0.00 C ATOM 0 H LEU A 24 -7.357 -7.727 2.255 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.878 -6.367 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.753 -4.820 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.191 -5.215 2.084 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.842 -4.210 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.947 -2.957 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.226 -4.697 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.468 -3.557 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.927 -1.861 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.317 -2.389 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.744 -2.807 1.606 1.00 0.00 H new ATOM 305 N SER A 25 -9.388 -6.757 -0.915 1.00 0.00 N ATOM 306 CA SER A 25 -9.164 -7.083 -2.314 1.00 0.00 C ATOM 307 C SER A 25 -8.364 -5.968 -2.989 1.00 0.00 C ATOM 308 O SER A 25 -8.688 -4.791 -2.845 1.00 0.00 O ATOM 309 CB SER A 25 -10.489 -7.304 -3.046 1.00 0.00 C ATOM 310 OG SER A 25 -11.242 -6.100 -3.162 1.00 0.00 O ATOM 0 H SER A 25 -10.342 -6.474 -0.690 1.00 0.00 H new ATOM 0 HA SER A 25 -8.594 -8.011 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.291 -7.705 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.078 -8.050 -2.512 1.00 0.00 H new ATOM 0 HG SER A 25 -10.669 -5.334 -2.950 1.00 0.00 H new ATOM 316 N LEU A 26 -7.333 -6.379 -3.713 1.00 0.00 N ATOM 317 CA LEU A 26 -6.483 -5.430 -4.412 1.00 0.00 C ATOM 318 C LEU A 26 -6.698 -5.573 -5.920 1.00 0.00 C ATOM 319 O LEU A 26 -7.016 -6.658 -6.405 1.00 0.00 O ATOM 320 CB LEU A 26 -5.025 -5.597 -3.980 1.00 0.00 C ATOM 321 CG LEU A 26 -4.790 -5.831 -2.486 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.351 -6.278 -2.221 1.00 0.00 C ATOM 323 CD2 LEU A 26 -5.164 -4.591 -1.672 1.00 0.00 C ATOM 0 H LEU A 26 -7.067 -7.357 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.755 -4.408 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.598 -6.435 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.474 -4.705 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.444 -6.640 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.211 -6.437 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.154 -7.207 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.661 -5.508 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.988 -4.784 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.554 -3.747 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.217 -4.358 -1.828 1.00 0.00 H new ATOM 335 N ALA A 27 -6.516 -4.463 -6.619 1.00 0.00 N ATOM 336 CA ALA A 27 -6.686 -4.451 -8.062 1.00 0.00 C ATOM 337 C ALA A 27 -5.531 -3.677 -8.701 1.00 0.00 C ATOM 338 O ALA A 27 -5.034 -2.710 -8.127 1.00 0.00 O ATOM 339 CB ALA A 27 -8.051 -3.853 -8.410 1.00 0.00 C ATOM 0 H ALA A 27 -6.252 -3.565 -6.213 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.663 -5.466 -8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.179 -3.844 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.838 -4.455 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.109 -2.833 -8.029 1.00 0.00 H new ATOM 345 N PRO A 28 -5.126 -4.145 -9.913 1.00 0.00 N ATOM 346 CA PRO A 28 -4.039 -3.508 -10.636 1.00 0.00 C ATOM 347 C PRO A 28 -4.495 -2.187 -11.259 1.00 0.00 C ATOM 348 O PRO A 28 -5.292 -2.181 -12.196 1.00 0.00 O ATOM 349 CB PRO A 28 -3.601 -4.533 -11.670 1.00 0.00 C ATOM 350 CG PRO A 28 -4.754 -5.515 -11.797 1.00 0.00 C ATOM 351 CD PRO A 28 -5.692 -5.288 -10.623 1.00 0.00 C ATOM 0 HA PRO A 28 -3.206 -3.234 -9.988 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.387 -4.056 -12.626 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.689 -5.040 -11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.280 -5.366 -12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.384 -6.540 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.707 -5.081 -10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.743 -6.167 -9.981 1.00 0.00 H new ATOM 359 N GLY A 29 -3.969 -1.100 -10.714 1.00 0.00 N ATOM 360 CA GLY A 29 -4.312 0.224 -11.205 1.00 0.00 C ATOM 361 C GLY A 29 -4.948 1.070 -10.101 1.00 0.00 C ATOM 362 O GLY A 29 -5.239 2.248 -10.306 1.00 0.00 O ATOM 0 H GLY A 29 -3.308 -1.109 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.416 0.721 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.002 0.137 -12.045 1.00 0.00 H new ATOM 366 N GLN A 30 -5.147 0.437 -8.954 1.00 0.00 N ATOM 367 CA GLN A 30 -5.744 1.117 -7.818 1.00 0.00 C ATOM 368 C GLN A 30 -4.700 1.335 -6.721 1.00 0.00 C ATOM 369 O GLN A 30 -3.766 0.547 -6.583 1.00 0.00 O ATOM 370 CB GLN A 30 -6.947 0.337 -7.282 1.00 0.00 C ATOM 371 CG GLN A 30 -8.099 0.347 -8.288 1.00 0.00 C ATOM 372 CD GLN A 30 -9.438 0.094 -7.592 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.406 0.815 -7.770 1.00 0.00 O ATOM 374 NE2 GLN A 30 -9.438 -0.968 -6.791 1.00 0.00 N ATOM 0 H GLN A 30 -4.905 -0.540 -8.787 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.103 2.091 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.653 -0.691 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.278 0.774 -6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.129 1.307 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.930 -0.417 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.592 -1.529 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.284 -1.222 -6.280 1.00 0.00 H new ATOM 383 N LEU A 31 -4.893 2.409 -5.970 1.00 0.00 N ATOM 384 CA LEU A 31 -3.979 2.741 -4.890 1.00 0.00 C ATOM 385 C LEU A 31 -4.652 2.443 -3.548 1.00 0.00 C ATOM 386 O LEU A 31 -5.878 2.460 -3.448 1.00 0.00 O ATOM 387 CB LEU A 31 -3.491 4.185 -5.026 1.00 0.00 C ATOM 388 CG LEU A 31 -2.715 4.513 -6.303 1.00 0.00 C ATOM 389 CD1 LEU A 31 -1.241 4.781 -5.995 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.891 3.411 -7.350 1.00 0.00 C ATOM 0 H LEU A 31 -5.669 3.061 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.085 2.120 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.355 4.847 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.857 4.416 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.127 5.429 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.712 5.012 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.160 5.625 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.799 3.897 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.329 3.669 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.522 2.467 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.947 3.311 -7.599 1.00 0.00 H new ATOM 402 N ILE A 32 -3.821 2.177 -2.552 1.00 0.00 N ATOM 403 CA ILE A 32 -4.320 1.876 -1.221 1.00 0.00 C ATOM 404 C ILE A 32 -3.479 2.623 -0.184 1.00 0.00 C ATOM 405 O ILE A 32 -2.253 2.662 -0.286 1.00 0.00 O ATOM 406 CB ILE A 32 -4.372 0.363 -0.997 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.550 -0.262 -1.747 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.400 0.030 0.496 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.123 -1.540 -2.471 1.00 0.00 C ATOM 0 H ILE A 32 -2.805 2.164 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.346 2.226 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.462 -0.075 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.353 -0.488 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.948 0.453 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.437 -1.051 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.502 0.423 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.281 0.481 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.979 -1.964 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.337 -1.306 -3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.749 -2.262 -1.745 1.00 0.00 H new ATOM 421 N LEU A 33 -4.170 3.197 0.790 1.00 0.00 N ATOM 422 CA LEU A 33 -3.501 3.940 1.845 1.00 0.00 C ATOM 423 C LEU A 33 -3.120 2.981 2.975 1.00 0.00 C ATOM 424 O LEU A 33 -3.991 2.412 3.630 1.00 0.00 O ATOM 425 CB LEU A 33 -4.365 5.117 2.301 1.00 0.00 C ATOM 426 CG LEU A 33 -3.660 6.176 3.151 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.022 7.251 2.269 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.617 6.776 4.184 1.00 0.00 C ATOM 0 H LEU A 33 -5.186 3.163 0.871 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.575 4.380 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.777 5.604 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.208 4.725 2.870 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.854 5.691 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.528 7.991 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.289 6.790 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.794 7.738 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.091 7.526 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.459 7.242 3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.984 5.988 4.841 1.00 0.00 H new ATOM 440 N ILE A 34 -1.817 2.834 3.168 1.00 0.00 N ATOM 441 CA ILE A 34 -1.310 1.954 4.208 1.00 0.00 C ATOM 442 C ILE A 34 -1.656 2.540 5.579 1.00 0.00 C ATOM 443 O ILE A 34 -1.437 3.725 5.825 1.00 0.00 O ATOM 444 CB ILE A 34 0.185 1.696 4.009 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.470 1.188 2.595 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.724 0.745 5.080 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.172 -0.182 2.364 1.00 0.00 C ATOM 0 H ILE A 34 -1.098 3.309 2.622 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.789 0.977 4.148 1.00 0.00 H new ATOM 0 HB ILE A 34 0.714 2.642 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.087 1.901 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.547 1.120 2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.789 0.578 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.573 1.185 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.194 -0.206 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.046 -0.520 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.231 -0.898 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.251 -0.105 2.496 1.00 0.00 H new ATOM 459 N LEU A 35 -2.192 1.682 6.435 1.00 0.00 N ATOM 460 CA LEU A 35 -2.571 2.099 7.774 1.00 0.00 C ATOM 461 C LEU A 35 -1.696 1.371 8.797 1.00 0.00 C ATOM 462 O LEU A 35 -1.238 1.973 9.767 1.00 0.00 O ATOM 463 CB LEU A 35 -4.071 1.898 7.994 1.00 0.00 C ATOM 464 CG LEU A 35 -4.983 2.347 6.850 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.117 1.345 6.627 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.509 3.763 7.092 1.00 0.00 C ATOM 0 H LEU A 35 -2.373 0.700 6.227 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.394 3.167 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.252 0.840 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.361 2.436 8.896 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.393 2.375 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.750 1.688 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.698 0.370 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.713 1.261 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.154 4.058 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.078 3.786 8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.670 4.456 7.162 1.00 0.00 H new ATOM 478 N LYS A 36 -1.491 0.087 8.545 1.00 0.00 N ATOM 479 CA LYS A 36 -0.680 -0.730 9.431 1.00 0.00 C ATOM 480 C LYS A 36 0.206 -1.656 8.596 1.00 0.00 C ATOM 481 O LYS A 36 -0.016 -1.819 7.397 1.00 0.00 O ATOM 482 CB LYS A 36 -1.564 -1.467 10.439 1.00 0.00 C ATOM 483 CG LYS A 36 -1.450 -0.840 11.830 1.00 0.00 C ATOM 484 CD LYS A 36 -1.500 -1.913 12.920 1.00 0.00 C ATOM 485 CE LYS A 36 -0.157 -2.635 13.042 1.00 0.00 C ATOM 486 NZ LYS A 36 0.350 -2.556 14.430 1.00 0.00 N ATOM 0 H LYS A 36 -1.873 -0.408 7.739 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.015 -0.103 10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.602 -1.438 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.273 -2.516 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.517 -0.282 11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.261 -0.127 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.758 -1.455 13.875 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.285 -2.634 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.271 -3.679 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.566 -2.189 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.262 -3.051 14.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.477 -1.559 14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.333 -3.002 15.075 1.00 0.00 H new ATOM 500 N LYS A 37 1.191 -2.240 9.263 1.00 0.00 N ATOM 501 CA LYS A 37 2.112 -3.146 8.597 1.00 0.00 C ATOM 502 C LYS A 37 2.276 -4.411 9.442 1.00 0.00 C ATOM 503 O LYS A 37 2.060 -4.385 10.653 1.00 0.00 O ATOM 504 CB LYS A 37 3.432 -2.437 8.287 1.00 0.00 C ATOM 505 CG LYS A 37 3.224 -1.308 7.276 1.00 0.00 C ATOM 506 CD LYS A 37 4.564 -0.774 6.766 1.00 0.00 C ATOM 507 CE LYS A 37 4.409 0.633 6.186 1.00 0.00 C ATOM 508 NZ LYS A 37 5.673 1.390 6.318 1.00 0.00 N ATOM 0 H LYS A 37 1.371 -2.103 10.258 1.00 0.00 H new ATOM 0 HA LYS A 37 1.711 -3.456 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.857 -2.033 9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.151 -3.155 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.630 -1.671 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.659 -0.499 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.287 -0.757 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.960 -1.444 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.124 0.570 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.607 1.160 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.719 2.120 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.711 1.842 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.479 0.741 6.215 1.00 0.00 H new ATOM 522 N ASN A 38 2.658 -5.487 8.771 1.00 0.00 N ATOM 523 CA ASN A 38 2.854 -6.759 9.445 1.00 0.00 C ATOM 524 C ASN A 38 4.233 -7.315 9.085 1.00 0.00 C ATOM 525 O ASN A 38 4.818 -6.927 8.074 1.00 0.00 O ATOM 526 CB ASN A 38 1.803 -7.782 9.008 1.00 0.00 C ATOM 527 CG ASN A 38 1.958 -9.092 9.783 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.246 -10.140 9.229 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.751 -8.975 11.091 1.00 0.00 N ATOM 0 H ASN A 38 2.837 -5.504 7.767 1.00 0.00 H new ATOM 0 HA ASN A 38 2.767 -6.589 10.518 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.805 -7.375 9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.899 -7.974 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.830 -9.793 11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.513 -8.067 11.490 1.00 0.00 H new ATOM 536 N THR A 39 4.713 -8.215 9.931 1.00 0.00 N ATOM 537 CA THR A 39 6.012 -8.828 9.714 1.00 0.00 C ATOM 538 C THR A 39 5.905 -9.954 8.684 1.00 0.00 C ATOM 539 O THR A 39 6.896 -10.319 8.052 1.00 0.00 O ATOM 540 CB THR A 39 6.547 -9.293 11.070 1.00 0.00 C ATOM 541 OG1 THR A 39 5.711 -10.395 11.414 1.00 0.00 O ATOM 542 CG2 THR A 39 6.294 -8.272 12.181 1.00 0.00 C ATOM 0 H THR A 39 4.225 -8.534 10.768 1.00 0.00 H new ATOM 0 HA THR A 39 6.722 -8.114 9.296 1.00 0.00 H new ATOM 0 HB THR A 39 7.617 -9.485 10.991 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.989 -10.759 12.280 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.693 -8.651 13.122 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.786 -7.332 11.931 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.222 -8.104 12.283 1.00 0.00 H new ATOM 550 N SER A 40 4.694 -10.475 8.547 1.00 0.00 N ATOM 551 CA SER A 40 4.445 -11.552 7.604 1.00 0.00 C ATOM 552 C SER A 40 4.389 -10.998 6.179 1.00 0.00 C ATOM 553 O SER A 40 4.691 -11.708 5.221 1.00 0.00 O ATOM 554 CB SER A 40 3.147 -12.288 7.940 1.00 0.00 C ATOM 555 OG SER A 40 3.060 -12.614 9.324 1.00 0.00 O ATOM 0 H SER A 40 3.875 -10.171 9.073 1.00 0.00 H new ATOM 0 HA SER A 40 5.265 -12.267 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.296 -11.668 7.660 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.085 -13.201 7.348 1.00 0.00 H new ATOM 0 HG SER A 40 2.731 -11.837 9.823 1.00 0.00 H new ATOM 561 N GLY A 41 3.999 -9.735 6.084 1.00 0.00 N ATOM 562 CA GLY A 41 3.899 -9.078 4.792 1.00 0.00 C ATOM 563 C GLY A 41 2.483 -8.548 4.555 1.00 0.00 C ATOM 564 O GLY A 41 2.209 -7.943 3.520 1.00 0.00 O ATOM 0 H GLY A 41 3.749 -9.149 6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.612 -8.255 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.166 -9.780 4.002 1.00 0.00 H new ATOM 568 N TRP A 42 1.622 -8.796 5.531 1.00 0.00 N ATOM 569 CA TRP A 42 0.241 -8.352 5.441 1.00 0.00 C ATOM 570 C TRP A 42 0.190 -6.880 5.855 1.00 0.00 C ATOM 571 O TRP A 42 0.574 -6.532 6.971 1.00 0.00 O ATOM 572 CB TRP A 42 -0.677 -9.242 6.281 1.00 0.00 C ATOM 573 CG TRP A 42 -0.917 -10.629 5.683 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.234 -11.758 5.917 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.944 -10.991 4.736 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.743 -12.817 5.193 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.816 -12.336 4.452 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.948 -10.209 4.139 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.659 -13.015 3.564 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.781 -10.903 3.254 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.666 -12.256 2.957 1.00 0.00 C ATOM 0 H TRP A 42 1.854 -9.299 6.388 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.126 -8.439 4.418 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.245 -9.356 7.275 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.637 -8.741 6.406 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.609 -11.830 6.588 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.396 -13.776 5.200 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.067 -9.156 4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.539 -14.068 3.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.569 -10.348 2.767 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.350 -12.719 2.261 1.00 0.00 H new ATOM 592 N TRP A 43 -0.287 -6.055 4.934 1.00 0.00 N ATOM 593 CA TRP A 43 -0.393 -4.629 5.190 1.00 0.00 C ATOM 594 C TRP A 43 -1.877 -4.282 5.326 1.00 0.00 C ATOM 595 O TRP A 43 -2.715 -4.838 4.618 1.00 0.00 O ATOM 596 CB TRP A 43 0.312 -3.822 4.098 1.00 0.00 C ATOM 597 CG TRP A 43 1.838 -3.835 4.202 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.600 -4.513 5.071 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.763 -3.106 3.367 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.943 -4.275 4.859 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.045 -3.393 3.790 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.524 -2.234 2.291 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.189 -2.849 3.193 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.677 -1.698 1.705 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.975 -1.977 2.119 1.00 0.00 C ATOM 0 H TRP A 43 -0.604 -6.347 4.010 1.00 0.00 H new ATOM 0 HA TRP A 43 0.113 -4.365 6.119 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.021 -4.216 3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.036 -2.790 4.141 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.212 -5.164 5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.718 -4.673 5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.529 -1.996 1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.182 -3.089 3.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.550 -1.021 0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.815 -1.523 1.614 1.00 0.00 H new ATOM 616 N GLN A 44 -2.156 -3.365 6.240 1.00 0.00 N ATOM 617 CA GLN A 44 -3.525 -2.937 6.477 1.00 0.00 C ATOM 618 C GLN A 44 -3.720 -1.496 6.004 1.00 0.00 C ATOM 619 O GLN A 44 -3.374 -0.553 6.714 1.00 0.00 O ATOM 620 CB GLN A 44 -3.897 -3.084 7.954 1.00 0.00 C ATOM 621 CG GLN A 44 -5.415 -3.093 8.139 1.00 0.00 C ATOM 622 CD GLN A 44 -5.788 -3.036 9.622 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.984 -2.704 10.478 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.047 -3.378 9.877 1.00 0.00 N ATOM 0 H GLN A 44 -1.458 -2.906 6.825 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.191 -3.581 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.474 -4.007 8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.462 -2.264 8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.853 -2.242 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.834 -3.993 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.667 -3.646 9.113 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.393 -3.373 10.837 1.00 0.00 H new ATOM 633 N GLY A 45 -4.274 -1.370 4.807 1.00 0.00 N ATOM 634 CA GLY A 45 -4.520 -0.059 4.230 1.00 0.00 C ATOM 635 C GLY A 45 -5.983 0.088 3.807 1.00 0.00 C ATOM 636 O GLY A 45 -6.811 -0.768 4.115 1.00 0.00 O ATOM 0 H GLY A 45 -4.560 -2.154 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.268 0.715 4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.871 0.090 3.367 1.00 0.00 H new ATOM 640 N GLU A 46 -6.256 1.180 3.108 1.00 0.00 N ATOM 641 CA GLU A 46 -7.605 1.450 2.639 1.00 0.00 C ATOM 642 C GLU A 46 -7.588 1.811 1.152 1.00 0.00 C ATOM 643 O GLU A 46 -6.851 2.703 0.734 1.00 0.00 O ATOM 644 CB GLU A 46 -8.260 2.560 3.464 1.00 0.00 C ATOM 645 CG GLU A 46 -9.650 2.898 2.923 1.00 0.00 C ATOM 646 CD GLU A 46 -9.770 4.392 2.614 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.717 5.178 3.585 1.00 0.00 O ATOM 648 OE2 GLU A 46 -9.911 4.714 1.415 1.00 0.00 O ATOM 0 H GLU A 46 -5.567 1.888 2.855 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.201 0.546 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.337 2.247 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.632 3.451 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.843 2.320 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.408 2.612 3.653 1.00 0.00 H new ATOM 655 N LEU A 47 -8.408 1.098 0.394 1.00 0.00 N ATOM 656 CA LEU A 47 -8.497 1.331 -1.037 1.00 0.00 C ATOM 657 C LEU A 47 -8.696 2.826 -1.295 1.00 0.00 C ATOM 658 O LEU A 47 -9.583 3.447 -0.710 1.00 0.00 O ATOM 659 CB LEU A 47 -9.583 0.450 -1.658 1.00 0.00 C ATOM 660 CG LEU A 47 -9.272 -0.123 -3.042 1.00 0.00 C ATOM 661 CD1 LEU A 47 -10.372 -1.084 -3.497 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.033 0.997 -4.058 1.00 0.00 C ATOM 0 H LEU A 47 -9.017 0.358 0.744 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.567 1.043 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.782 -0.380 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.501 1.033 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.349 -0.699 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.127 -1.477 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.452 -1.908 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.323 -0.553 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.814 0.563 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.925 1.619 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.190 1.607 -3.735 1.00 0.00 H new ATOM 674 N GLN A 48 -7.857 3.361 -2.170 1.00 0.00 N ATOM 675 CA GLN A 48 -7.930 4.771 -2.511 1.00 0.00 C ATOM 676 C GLN A 48 -8.878 4.983 -3.694 1.00 0.00 C ATOM 677 O GLN A 48 -8.731 5.943 -4.448 1.00 0.00 O ATOM 678 CB GLN A 48 -6.541 5.335 -2.815 1.00 0.00 C ATOM 679 CG GLN A 48 -5.642 5.275 -1.578 1.00 0.00 C ATOM 680 CD GLN A 48 -6.280 6.014 -0.400 1.00 0.00 C ATOM 681 OE1 GLN A 48 -6.118 7.210 -0.223 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.014 5.238 0.392 1.00 0.00 N ATOM 0 H GLN A 48 -7.123 2.843 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.326 5.312 -1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.085 4.770 -3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.630 6.367 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.462 4.235 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.672 5.717 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.108 4.243 0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.483 5.637 1.205 1.00 0.00 H new ATOM 691 N ALA A 49 -9.830 4.069 -3.819 1.00 0.00 N ATOM 692 CA ALA A 49 -10.801 4.143 -4.896 1.00 0.00 C ATOM 693 C ALA A 49 -11.906 3.114 -4.653 1.00 0.00 C ATOM 694 O ALA A 49 -11.928 2.456 -3.614 1.00 0.00 O ATOM 695 CB ALA A 49 -10.094 3.933 -6.237 1.00 0.00 C ATOM 0 H ALA A 49 -9.949 3.274 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.268 5.128 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.823 3.989 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.339 4.707 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.616 2.954 -6.247 1.00 0.00 H new ATOM 701 N ARG A 50 -12.797 3.006 -5.628 1.00 0.00 N ATOM 702 CA ARG A 50 -13.902 2.068 -5.532 1.00 0.00 C ATOM 703 C ARG A 50 -14.790 2.414 -4.336 1.00 0.00 C ATOM 704 O ARG A 50 -14.341 2.373 -3.192 1.00 0.00 O ATOM 705 CB ARG A 50 -13.394 0.632 -5.383 1.00 0.00 C ATOM 706 CG ARG A 50 -13.375 -0.086 -6.734 1.00 0.00 C ATOM 707 CD ARG A 50 -14.520 -1.096 -6.834 1.00 0.00 C ATOM 708 NE ARG A 50 -14.421 -1.849 -8.104 1.00 0.00 N ATOM 709 CZ ARG A 50 -15.410 -2.595 -8.614 1.00 0.00 C ATOM 710 NH1 ARG A 50 -16.579 -2.692 -7.966 1.00 0.00 N ATOM 711 NH2 ARG A 50 -15.231 -3.244 -9.773 1.00 0.00 N ATOM 0 H ARG A 50 -12.776 3.553 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.481 2.143 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.391 0.640 -4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.032 0.087 -4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.458 0.644 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.421 -0.598 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.483 -1.784 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.478 -0.579 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.545 -1.797 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.716 -2.198 -7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.332 -3.260 -8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.342 -3.170 -10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.984 -3.812 -10.161 1.00 0.00 H new ATOM 725 N GLY A 51 -16.036 2.749 -4.641 1.00 0.00 N ATOM 726 CA GLY A 51 -16.991 3.102 -3.606 1.00 0.00 C ATOM 727 C GLY A 51 -17.873 1.905 -3.241 1.00 0.00 C ATOM 728 O GLY A 51 -18.362 1.199 -4.122 1.00 0.00 O ATOM 0 H GLY A 51 -16.405 2.783 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.460 3.450 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.615 3.927 -3.949 1.00 0.00 H new ATOM 732 N LYS A 52 -18.048 1.715 -1.942 1.00 0.00 N ATOM 733 CA LYS A 52 -18.862 0.616 -1.450 1.00 0.00 C ATOM 734 C LYS A 52 -19.021 0.743 0.066 1.00 0.00 C ATOM 735 O LYS A 52 -20.136 0.872 0.569 1.00 0.00 O ATOM 736 CB LYS A 52 -18.278 -0.726 -1.897 1.00 0.00 C ATOM 737 CG LYS A 52 -19.377 -1.779 -2.049 1.00 0.00 C ATOM 738 CD LYS A 52 -18.977 -3.090 -1.367 1.00 0.00 C ATOM 739 CE LYS A 52 -20.062 -4.154 -1.546 1.00 0.00 C ATOM 740 NZ LYS A 52 -19.971 -4.766 -2.890 1.00 0.00 N ATOM 0 H LYS A 52 -17.640 2.303 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.862 0.661 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.755 -0.601 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.541 -1.067 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.305 -1.407 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.570 -1.959 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.037 -3.450 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.806 -2.914 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.955 -4.924 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.046 -3.705 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.714 -5.486 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.096 -4.031 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.039 -5.212 -3.006 1.00 0.00 H new ATOM 754 N LYS A 53 -17.888 0.702 0.753 1.00 0.00 N ATOM 755 CA LYS A 53 -17.887 0.811 2.202 1.00 0.00 C ATOM 756 C LYS A 53 -16.448 0.976 2.695 1.00 0.00 C ATOM 757 O LYS A 53 -15.977 0.194 3.519 1.00 0.00 O ATOM 758 CB LYS A 53 -18.620 -0.376 2.829 1.00 0.00 C ATOM 759 CG LYS A 53 -19.964 0.058 3.418 1.00 0.00 C ATOM 760 CD LYS A 53 -21.036 -1.007 3.182 1.00 0.00 C ATOM 761 CE LYS A 53 -21.374 -1.743 4.480 1.00 0.00 C ATOM 762 NZ LYS A 53 -22.436 -2.747 4.245 1.00 0.00 N ATOM 0 H LYS A 53 -16.965 0.595 0.333 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.436 1.698 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.781 -1.147 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -18.002 -0.818 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.855 0.239 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.276 0.999 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.935 -0.540 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -20.687 -1.721 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.482 -2.233 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.701 -1.029 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.653 -3.237 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.292 -2.272 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -22.110 -3.438 3.540 1.00 0.00 H new ATOM 776 N ARG A 54 -15.790 2.000 2.171 1.00 0.00 N ATOM 777 CA ARG A 54 -14.415 2.278 2.548 1.00 0.00 C ATOM 778 C ARG A 54 -13.635 0.971 2.710 1.00 0.00 C ATOM 779 O ARG A 54 -13.523 0.444 3.816 1.00 0.00 O ATOM 780 CB ARG A 54 -14.351 3.067 3.858 1.00 0.00 C ATOM 781 CG ARG A 54 -14.756 4.526 3.638 1.00 0.00 C ATOM 782 CD ARG A 54 -13.526 5.409 3.419 1.00 0.00 C ATOM 783 NE ARG A 54 -13.265 6.222 4.628 1.00 0.00 N ATOM 784 CZ ARG A 54 -12.430 7.270 4.662 1.00 0.00 C ATOM 785 NH1 ARG A 54 -11.770 7.638 3.555 1.00 0.00 N ATOM 786 NH2 ARG A 54 -12.254 7.949 5.804 1.00 0.00 N ATOM 0 H ARG A 54 -16.184 2.647 1.488 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.968 2.877 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.011 2.610 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.340 3.023 4.264 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.418 4.597 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.317 4.885 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.658 4.789 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.684 6.061 2.560 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.751 5.969 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.903 7.120 2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.135 8.436 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.755 7.668 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.619 8.747 5.830 1.00 0.00 H new ATOM 800 N GLN A 55 -13.115 0.488 1.592 1.00 0.00 N ATOM 801 CA GLN A 55 -12.349 -0.747 1.595 1.00 0.00 C ATOM 802 C GLN A 55 -11.212 -0.663 2.616 1.00 0.00 C ATOM 803 O GLN A 55 -10.428 0.285 2.600 1.00 0.00 O ATOM 804 CB GLN A 55 -11.810 -1.062 0.198 1.00 0.00 C ATOM 805 CG GLN A 55 -12.772 -1.971 -0.569 1.00 0.00 C ATOM 806 CD GLN A 55 -13.377 -1.240 -1.769 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.166 -0.057 -1.979 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.139 -2.009 -2.542 1.00 0.00 N ATOM 0 H GLN A 55 -13.209 0.929 0.677 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.012 -1.562 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.661 -0.135 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.836 -1.544 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.243 -2.861 -0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.568 -2.308 0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.274 -2.993 -2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.588 -1.615 -3.369 1.00 0.00 H new ATOM 817 N LYS A 56 -11.158 -1.667 3.478 1.00 0.00 N ATOM 818 CA LYS A 56 -10.130 -1.718 4.504 1.00 0.00 C ATOM 819 C LYS A 56 -9.945 -3.166 4.962 1.00 0.00 C ATOM 820 O LYS A 56 -10.899 -3.812 5.391 1.00 0.00 O ATOM 821 CB LYS A 56 -10.460 -0.751 5.642 1.00 0.00 C ATOM 822 CG LYS A 56 -9.186 -0.128 6.218 1.00 0.00 C ATOM 823 CD LYS A 56 -8.707 -0.900 7.449 1.00 0.00 C ATOM 824 CE LYS A 56 -9.575 -0.581 8.669 1.00 0.00 C ATOM 825 NZ LYS A 56 -9.317 0.798 9.141 1.00 0.00 N ATOM 0 H LYS A 56 -11.809 -2.452 3.487 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.173 -1.385 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.120 0.035 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.999 -1.279 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.403 -0.124 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.374 0.911 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.738 -1.970 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.668 -0.646 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.629 -0.693 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.364 -1.291 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.663 0.901 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.295 0.989 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.812 1.474 8.525 1.00 0.00 H new ATOM 839 N GLY A 57 -8.709 -3.634 4.855 1.00 0.00 N ATOM 840 CA GLY A 57 -8.387 -4.993 5.254 1.00 0.00 C ATOM 841 C GLY A 57 -6.879 -5.244 5.178 1.00 0.00 C ATOM 842 O GLY A 57 -6.108 -4.329 4.891 1.00 0.00 O ATOM 0 H GLY A 57 -7.920 -3.096 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.738 -5.170 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.910 -5.699 4.609 1.00 0.00 H new ATOM 846 N TRP A 58 -6.504 -6.487 5.439 1.00 0.00 N ATOM 847 CA TRP A 58 -5.103 -6.870 5.404 1.00 0.00 C ATOM 848 C TRP A 58 -4.832 -7.551 4.062 1.00 0.00 C ATOM 849 O TRP A 58 -5.552 -8.470 3.672 1.00 0.00 O ATOM 850 CB TRP A 58 -4.744 -7.749 6.604 1.00 0.00 C ATOM 851 CG TRP A 58 -4.722 -7.001 7.939 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.746 -6.770 8.772 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.573 -6.392 8.565 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.343 -6.060 9.884 1.00 0.00 N ATOM 855 CE2 TRP A 58 -3.979 -5.823 9.754 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.235 -6.325 8.139 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.109 -5.145 10.616 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.377 -5.644 9.012 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.771 -5.065 10.213 1.00 0.00 C ATOM 0 H TRP A 58 -7.147 -7.243 5.676 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.462 -5.992 5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.461 -8.567 6.669 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.765 -8.196 6.434 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.760 -7.098 8.595 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -5.936 -5.763 10.659 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.896 -6.764 7.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.452 -4.707 11.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.337 -5.563 8.733 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.048 -4.556 10.832 1.00 0.00 H new ATOM 870 N PHE A 59 -3.793 -7.075 3.391 1.00 0.00 N ATOM 871 CA PHE A 59 -3.419 -7.627 2.100 1.00 0.00 C ATOM 872 C PHE A 59 -1.899 -7.761 1.981 1.00 0.00 C ATOM 873 O PHE A 59 -1.156 -7.122 2.724 1.00 0.00 O ATOM 874 CB PHE A 59 -3.918 -6.650 1.034 1.00 0.00 C ATOM 875 CG PHE A 59 -3.194 -5.302 1.038 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.892 -5.228 0.651 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.852 -4.178 1.429 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.221 -3.977 0.654 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.181 -2.927 1.432 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.879 -2.853 1.045 1.00 0.00 C ATOM 0 H PHE A 59 -3.199 -6.313 3.717 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.855 -8.619 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.803 -7.110 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.984 -6.479 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.369 -6.121 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.885 -4.237 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.188 -3.918 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.704 -2.034 1.741 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.368 -1.902 1.048 1.00 0.00 H new ATOM 890 N PRO A 60 -1.472 -8.619 1.017 1.00 0.00 N ATOM 891 CA PRO A 60 -0.055 -8.845 0.791 1.00 0.00 C ATOM 892 C PRO A 60 0.581 -7.658 0.065 1.00 0.00 C ATOM 893 O PRO A 60 0.054 -7.186 -0.941 1.00 0.00 O ATOM 894 CB PRO A 60 0.015 -10.136 -0.009 1.00 0.00 C ATOM 895 CG PRO A 60 -1.371 -10.337 -0.598 1.00 0.00 C ATOM 896 CD PRO A 60 -2.323 -9.394 0.119 1.00 0.00 C ATOM 0 HA PRO A 60 0.509 -8.935 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.767 -10.068 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.294 -10.975 0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.364 -10.132 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.692 -11.371 -0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.846 -8.748 -0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.084 -9.945 0.672 1.00 0.00 H new ATOM 904 N ALA A 61 1.705 -7.209 0.604 1.00 0.00 N ATOM 905 CA ALA A 61 2.419 -6.085 0.020 1.00 0.00 C ATOM 906 C ALA A 61 3.057 -6.522 -1.300 1.00 0.00 C ATOM 907 O ALA A 61 3.433 -5.685 -2.118 1.00 0.00 O ATOM 908 CB ALA A 61 3.450 -5.560 1.021 1.00 0.00 C ATOM 0 H ALA A 61 2.139 -7.603 1.439 1.00 0.00 H new ATOM 0 HA ALA A 61 1.733 -5.267 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.986 -4.717 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.943 -5.235 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.158 -6.353 1.264 1.00 0.00 H new ATOM 914 N SER A 62 3.160 -7.833 -1.465 1.00 0.00 N ATOM 915 CA SER A 62 3.746 -8.391 -2.672 1.00 0.00 C ATOM 916 C SER A 62 2.837 -8.115 -3.871 1.00 0.00 C ATOM 917 O SER A 62 3.231 -8.332 -5.016 1.00 0.00 O ATOM 918 CB SER A 62 3.986 -9.895 -2.523 1.00 0.00 C ATOM 919 OG SER A 62 5.366 -10.199 -2.336 1.00 0.00 O ATOM 0 H SER A 62 2.848 -8.524 -0.783 1.00 0.00 H new ATOM 0 HA SER A 62 4.711 -7.911 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.414 -10.271 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.618 -10.411 -3.410 1.00 0.00 H new ATOM 0 HG SER A 62 5.478 -11.168 -2.243 1.00 0.00 H new ATOM 925 N HIS A 63 1.638 -7.641 -3.568 1.00 0.00 N ATOM 926 CA HIS A 63 0.670 -7.333 -4.607 1.00 0.00 C ATOM 927 C HIS A 63 0.722 -5.839 -4.930 1.00 0.00 C ATOM 928 O HIS A 63 0.363 -5.425 -6.032 1.00 0.00 O ATOM 929 CB HIS A 63 -0.729 -7.804 -4.203 1.00 0.00 C ATOM 930 CG HIS A 63 -1.031 -9.232 -4.587 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.792 -9.566 -5.694 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.667 -10.409 -4.002 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.875 -10.886 -5.762 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.178 -11.407 -4.712 1.00 0.00 N ATOM 0 H HIS A 63 1.314 -7.463 -2.617 1.00 0.00 H new ATOM 0 HA HIS A 63 0.924 -7.875 -5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.839 -7.698 -3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.469 -7.150 -4.665 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.217 -8.907 -6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.065 -10.512 -3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.402 -11.451 -6.517 1.00 0.00 H new ATOM 942 N VAL A 64 1.171 -5.069 -3.950 1.00 0.00 N ATOM 943 CA VAL A 64 1.275 -3.629 -4.116 1.00 0.00 C ATOM 944 C VAL A 64 2.751 -3.227 -4.133 1.00 0.00 C ATOM 945 O VAL A 64 3.629 -4.065 -3.929 1.00 0.00 O ATOM 946 CB VAL A 64 0.473 -2.917 -3.025 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.875 -3.604 -2.799 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.272 -2.835 -1.723 1.00 0.00 C ATOM 0 H VAL A 64 1.467 -5.415 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 64 0.844 -3.322 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 64 0.278 -1.899 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.425 -3.078 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.452 -3.587 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.710 -4.637 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.679 -2.324 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.512 -3.841 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.194 -2.281 -1.896 1.00 0.00 H new ATOM 958 N LYS A 65 2.979 -1.945 -4.376 1.00 0.00 N ATOM 959 CA LYS A 65 4.334 -1.421 -4.422 1.00 0.00 C ATOM 960 C LYS A 65 4.360 -0.029 -3.789 1.00 0.00 C ATOM 961 O LYS A 65 3.598 0.852 -4.186 1.00 0.00 O ATOM 962 CB LYS A 65 4.874 -1.456 -5.853 1.00 0.00 C ATOM 963 CG LYS A 65 5.939 -0.378 -6.063 1.00 0.00 C ATOM 964 CD LYS A 65 6.535 -0.464 -7.470 1.00 0.00 C ATOM 965 CE LYS A 65 6.178 0.775 -8.293 1.00 0.00 C ATOM 966 NZ LYS A 65 5.935 0.406 -9.706 1.00 0.00 N ATOM 0 H LYS A 65 2.248 -1.253 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 65 5.005 -2.050 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.299 -2.438 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.056 -1.307 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.499 0.608 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.730 -0.493 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.619 -0.562 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.164 -1.358 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.290 1.251 -7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.987 1.503 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.694 1.258 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.792 -0.028 -10.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.148 -0.272 -9.757 1.00 0.00 H new ATOM 980 N LEU A 66 5.244 0.127 -2.814 1.00 0.00 N ATOM 981 CA LEU A 66 5.379 1.398 -2.123 1.00 0.00 C ATOM 982 C LEU A 66 5.808 2.474 -3.121 1.00 0.00 C ATOM 983 O LEU A 66 6.722 2.260 -3.916 1.00 0.00 O ATOM 984 CB LEU A 66 6.321 1.259 -0.925 1.00 0.00 C ATOM 985 CG LEU A 66 5.656 0.969 0.422 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.678 1.017 1.559 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.480 1.917 0.667 1.00 0.00 C ATOM 0 H LEU A 66 5.874 -0.606 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 66 4.420 1.711 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.030 0.459 -1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.897 2.180 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 66 5.253 -0.043 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.179 0.807 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.453 0.270 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.131 2.007 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.024 1.690 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.837 2.947 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.740 1.790 -0.123 1.00 0.00 H new ATOM 999 N LEU A 67 5.129 3.610 -3.048 1.00 0.00 N ATOM 1000 CA LEU A 67 5.429 4.720 -3.936 1.00 0.00 C ATOM 1001 C LEU A 67 6.505 5.601 -3.298 1.00 0.00 C ATOM 1002 O LEU A 67 6.724 6.731 -3.731 1.00 0.00 O ATOM 1003 CB LEU A 67 4.149 5.477 -4.298 1.00 0.00 C ATOM 1004 CG LEU A 67 3.121 4.700 -5.122 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.064 5.639 -5.707 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.805 3.863 -6.204 1.00 0.00 C ATOM 0 H LEU A 67 4.372 3.785 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 67 5.834 4.355 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.672 5.806 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.425 6.374 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 67 2.604 4.007 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.346 5.061 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.546 6.153 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.546 6.373 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.051 3.321 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.364 4.518 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.487 3.153 -5.737 1.00 0.00 H new ATOM 1018 N GLY A 68 7.148 5.050 -2.279 1.00 0.00 N ATOM 1019 CA GLY A 68 8.195 5.772 -1.577 1.00 0.00 C ATOM 1020 C GLY A 68 7.678 7.110 -1.045 1.00 0.00 C ATOM 1021 O GLY A 68 6.479 7.272 -0.823 1.00 0.00 O ATOM 0 H GLY A 68 6.964 4.112 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.567 5.167 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.036 5.944 -2.249 1.00 0.00 H new ATOM 1025 N PRO A 69 8.632 8.059 -0.850 1.00 0.00 N ATOM 1026 CA PRO A 69 8.285 9.377 -0.348 1.00 0.00 C ATOM 1027 C PRO A 69 7.620 10.221 -1.437 1.00 0.00 C ATOM 1028 O PRO A 69 8.124 10.306 -2.556 1.00 0.00 O ATOM 1029 CB PRO A 69 9.596 9.969 0.144 1.00 0.00 C ATOM 1030 CG PRO A 69 10.695 9.156 -0.520 1.00 0.00 C ATOM 1031 CD PRO A 69 10.062 7.902 -1.101 1.00 0.00 C ATOM 0 HA PRO A 69 7.553 9.340 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.674 11.023 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.668 9.910 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.179 9.738 -1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.466 8.894 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.269 7.811 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.452 7.003 -0.623 1.00 0.00 H new ATOM 1039 N SER A 70 6.498 10.824 -1.071 1.00 0.00 N ATOM 1040 CA SER A 70 5.759 11.659 -2.003 1.00 0.00 C ATOM 1041 C SER A 70 5.207 12.889 -1.280 1.00 0.00 C ATOM 1042 O SER A 70 5.401 14.017 -1.731 1.00 0.00 O ATOM 1043 CB SER A 70 4.622 10.875 -2.661 1.00 0.00 C ATOM 1044 OG SER A 70 3.760 10.275 -1.698 1.00 0.00 O ATOM 0 H SER A 70 6.083 10.751 -0.142 1.00 0.00 H new ATOM 0 HA SER A 70 6.442 11.984 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.043 11.543 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.040 10.101 -3.305 1.00 0.00 H new ATOM 0 HG SER A 70 3.046 9.785 -2.158 1.00 0.00 H new ATOM 1050 N SER A 71 4.531 12.630 -0.171 1.00 0.00 N ATOM 1051 CA SER A 71 3.950 13.702 0.619 1.00 0.00 C ATOM 1052 C SER A 71 5.035 14.702 1.023 1.00 0.00 C ATOM 1053 O SER A 71 5.910 14.384 1.827 1.00 0.00 O ATOM 1054 CB SER A 71 3.247 13.152 1.862 1.00 0.00 C ATOM 1055 OG SER A 71 4.166 12.572 2.783 1.00 0.00 O ATOM 0 H SER A 71 4.372 11.693 0.200 1.00 0.00 H new ATOM 0 HA SER A 71 3.205 14.211 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.699 13.956 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.513 12.404 1.562 1.00 0.00 H new ATOM 0 HG SER A 71 5.020 13.050 2.738 1.00 0.00 H new ATOM 1061 N GLU A 72 4.944 15.891 0.445 1.00 0.00 N ATOM 1062 CA GLU A 72 5.907 16.940 0.735 1.00 0.00 C ATOM 1063 C GLU A 72 5.188 18.204 1.213 1.00 0.00 C ATOM 1064 O GLU A 72 4.298 18.711 0.533 1.00 0.00 O ATOM 1065 CB GLU A 72 6.780 17.235 -0.486 1.00 0.00 C ATOM 1066 CG GLU A 72 7.952 18.145 -0.115 1.00 0.00 C ATOM 1067 CD GLU A 72 9.275 17.574 -0.630 1.00 0.00 C ATOM 1068 OE1 GLU A 72 9.611 16.448 -0.203 1.00 0.00 O ATOM 1069 OE2 GLU A 72 9.920 18.275 -1.440 1.00 0.00 O ATOM 0 H GLU A 72 4.218 16.151 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 72 6.562 16.594 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.158 16.301 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.178 17.709 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.793 19.138 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.999 18.260 0.968 1.00 0.00 H new ATOM 1076 N ARG A 73 5.602 18.676 2.380 1.00 0.00 N ATOM 1077 CA ARG A 73 5.009 19.870 2.956 1.00 0.00 C ATOM 1078 C ARG A 73 6.103 20.822 3.446 1.00 0.00 C ATOM 1079 O ARG A 73 6.998 20.417 4.185 1.00 0.00 O ATOM 1080 CB ARG A 73 4.089 19.518 4.126 1.00 0.00 C ATOM 1081 CG ARG A 73 2.856 18.751 3.642 1.00 0.00 C ATOM 1082 CD ARG A 73 1.642 19.676 3.533 1.00 0.00 C ATOM 1083 NE ARG A 73 0.657 19.109 2.586 1.00 0.00 N ATOM 1084 CZ ARG A 73 0.722 19.256 1.256 1.00 0.00 C ATOM 1085 NH1 ARG A 73 1.726 19.955 0.708 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -0.217 18.706 0.474 1.00 0.00 N ATOM 0 H ARG A 73 6.341 18.253 2.942 1.00 0.00 H new ATOM 0 HA ARG A 73 4.420 20.356 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.634 18.916 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.778 20.430 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.062 18.300 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.636 17.936 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.184 19.805 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.956 20.664 3.196 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.121 18.572 2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.440 20.375 1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.776 20.067 -0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.982 18.175 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.167 18.818 -0.539 1.00 0.00 H new ATOM 1100 N ALA A 74 5.993 22.070 3.013 1.00 0.00 N ATOM 1101 CA ALA A 74 6.962 23.083 3.398 1.00 0.00 C ATOM 1102 C ALA A 74 6.636 23.584 4.806 1.00 0.00 C ATOM 1103 O ALA A 74 5.903 24.558 4.968 1.00 0.00 O ATOM 1104 CB ALA A 74 6.960 24.210 2.363 1.00 0.00 C ATOM 0 H ALA A 74 5.249 22.402 2.400 1.00 0.00 H new ATOM 0 HA ALA A 74 7.968 22.664 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.686 24.970 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.225 23.807 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.967 24.657 2.314 1.00 0.00 H new ATOM 1110 N SER A 75 7.198 22.896 5.789 1.00 0.00 N ATOM 1111 CA SER A 75 6.977 23.260 7.178 1.00 0.00 C ATOM 1112 C SER A 75 8.164 22.810 8.032 1.00 0.00 C ATOM 1113 O SER A 75 8.665 21.698 7.869 1.00 0.00 O ATOM 1114 CB SER A 75 5.680 22.646 7.708 1.00 0.00 C ATOM 1115 OG SER A 75 5.217 23.308 8.882 1.00 0.00 O ATOM 0 H SER A 75 7.806 22.089 5.651 1.00 0.00 H new ATOM 0 HA SER A 75 6.885 24.345 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.912 22.698 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.841 21.590 7.927 1.00 0.00 H new ATOM 0 HG SER A 75 4.386 22.888 9.188 1.00 0.00 H new ATOM 1121 N GLY A 76 8.581 23.696 8.924 1.00 0.00 N ATOM 1122 CA GLY A 76 9.700 23.404 9.804 1.00 0.00 C ATOM 1123 C GLY A 76 9.662 21.949 10.274 1.00 0.00 C ATOM 1124 O GLY A 76 8.588 21.385 10.477 1.00 0.00 O ATOM 0 H GLY A 76 8.164 24.617 9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.637 23.597 9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.672 24.070 10.667 1.00 0.00 H new ATOM 1128 N PRO A 77 10.880 21.366 10.437 1.00 0.00 N ATOM 1129 CA PRO A 77 10.997 19.987 10.879 1.00 0.00 C ATOM 1130 C PRO A 77 10.699 19.863 12.375 1.00 0.00 C ATOM 1131 O PRO A 77 9.897 19.026 12.784 1.00 0.00 O ATOM 1132 CB PRO A 77 12.417 19.578 10.520 1.00 0.00 C ATOM 1133 CG PRO A 77 13.185 20.873 10.317 1.00 0.00 C ATOM 1134 CD PRO A 77 12.174 22.003 10.206 1.00 0.00 C ATOM 0 HA PRO A 77 10.273 19.329 10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.864 18.980 11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.431 18.970 9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 77 13.864 21.049 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.796 20.817 9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.369 22.783 10.942 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.214 22.475 9.224 1.00 0.00 H new ATOM 1142 N SER A 78 11.361 20.710 13.149 1.00 0.00 N ATOM 1143 CA SER A 78 11.177 20.706 14.590 1.00 0.00 C ATOM 1144 C SER A 78 11.611 19.358 15.170 1.00 0.00 C ATOM 1145 O SER A 78 11.796 18.392 14.432 1.00 0.00 O ATOM 1146 CB SER A 78 9.722 20.999 14.961 1.00 0.00 C ATOM 1147 OG SER A 78 9.391 22.373 14.780 1.00 0.00 O ATOM 0 H SER A 78 12.025 21.404 12.806 1.00 0.00 H new ATOM 0 HA SER A 78 11.798 21.494 15.015 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.061 20.384 14.350 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.549 20.718 16.000 1.00 0.00 H new ATOM 0 HG SER A 78 8.454 22.519 15.026 1.00 0.00 H new ATOM 1153 N SER A 79 11.761 19.336 16.486 1.00 0.00 N ATOM 1154 CA SER A 79 12.170 18.123 17.173 1.00 0.00 C ATOM 1155 C SER A 79 10.947 17.417 17.760 1.00 0.00 C ATOM 1156 O SER A 79 10.226 17.991 18.576 1.00 0.00 O ATOM 1157 CB SER A 79 13.186 18.430 18.275 1.00 0.00 C ATOM 1158 OG SER A 79 14.395 18.972 17.750 1.00 0.00 O ATOM 0 H SER A 79 11.606 20.139 17.095 1.00 0.00 H new ATOM 0 HA SER A 79 12.649 17.464 16.449 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.751 19.134 18.984 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.408 17.517 18.828 1.00 0.00 H new ATOM 0 HG SER A 79 15.017 19.156 18.485 1.00 0.00 H new ATOM 1164 N GLY A 80 10.750 16.182 17.324 1.00 0.00 N ATOM 1165 CA GLY A 80 9.626 15.391 17.796 1.00 0.00 C ATOM 1166 C GLY A 80 10.091 14.023 18.300 1.00 0.00 C ATOM 1167 O GLY A 80 11.108 13.923 18.984 1.00 0.00 O ATOM 0 H GLY A 80 11.350 15.709 16.648 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.114 15.923 18.598 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.905 15.259 16.989 1.00 0.00 H new TER 1171 GLY A 80