USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 525 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 22 SER OG : rot -19:sc= 0.707 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 28 GLN : amide:sc= -1.71 K(o=-5.4,f=-6.8!) USER MOD Set 2.2: A 33 SER OG : rot 160:sc= -0.0426 USER MOD Set 2.3: A 35 HIS : no HD1:sc= -3.87! C(o=-5.4!,f=-9.5!) USER MOD Set 2.4: A 37 THR OG1 : rot -105:sc= 0.232 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 180:sc= 0 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00831 X(o=-0.0083,f=-0.0015) USER MOD Single : A 20 SER OG : rot -42:sc= 0.105 USER MOD Single : A 39 SER OG : rot -89:sc= 0.06 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 149:sc= -0.0964 (180deg=-0.187) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.212 K(o=-0.21,f=-3.4!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0638 K(o=-0.064,f=-0.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.795 -26.292 22.288 1.00 0.00 N ATOM 2 CA GLY A 1 40.163 -27.576 22.037 1.00 0.00 C ATOM 3 C GLY A 1 38.701 -27.397 21.624 1.00 0.00 C ATOM 4 O GLY A 1 37.794 -27.837 22.330 1.00 0.00 O ATOM 0 H1 GLY A 1 41.786 -26.441 22.566 1.00 0.00 H new ATOM 0 H2 GLY A 1 40.761 -25.714 21.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.291 -25.801 23.053 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.704 -28.104 21.252 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.218 -28.194 22.933 1.00 0.00 H new ATOM 8 N SER A 2 38.516 -26.749 20.483 1.00 0.00 N ATOM 9 CA SER A 2 37.180 -26.506 19.968 1.00 0.00 C ATOM 10 C SER A 2 36.841 -27.533 18.885 1.00 0.00 C ATOM 11 O SER A 2 37.714 -28.267 18.427 1.00 0.00 O ATOM 12 CB SER A 2 37.053 -25.086 19.411 1.00 0.00 C ATOM 13 OG SER A 2 36.474 -24.192 20.357 1.00 0.00 O ATOM 0 H SER A 2 39.270 -26.385 19.901 1.00 0.00 H new ATOM 0 HA SER A 2 36.473 -26.609 20.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 38.038 -24.720 19.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.443 -25.104 18.508 1.00 0.00 H new ATOM 0 HG SER A 2 36.412 -23.296 19.965 1.00 0.00 H new ATOM 19 N SER A 3 35.571 -27.550 18.508 1.00 0.00 N ATOM 20 CA SER A 3 35.106 -28.475 17.488 1.00 0.00 C ATOM 21 C SER A 3 34.693 -27.704 16.232 1.00 0.00 C ATOM 22 O SER A 3 34.585 -26.479 16.259 1.00 0.00 O ATOM 23 CB SER A 3 33.938 -29.319 18.001 1.00 0.00 C ATOM 24 OG SER A 3 34.249 -30.710 18.011 1.00 0.00 O ATOM 0 H SER A 3 34.850 -26.938 18.890 1.00 0.00 H new ATOM 0 HA SER A 3 35.925 -29.150 17.239 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.675 -28.999 19.009 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.063 -29.147 17.373 1.00 0.00 H new ATOM 0 HG SER A 3 33.479 -31.215 18.346 1.00 0.00 H new ATOM 30 N GLY A 4 34.473 -28.454 15.162 1.00 0.00 N ATOM 31 CA GLY A 4 34.074 -27.856 13.899 1.00 0.00 C ATOM 32 C GLY A 4 33.314 -28.862 13.033 1.00 0.00 C ATOM 33 O GLY A 4 32.123 -28.691 12.777 1.00 0.00 O ATOM 0 H GLY A 4 34.563 -29.470 15.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.446 -26.985 14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.956 -27.504 13.364 1.00 0.00 H new ATOM 37 N SER A 5 34.033 -29.889 12.605 1.00 0.00 N ATOM 38 CA SER A 5 33.442 -30.923 11.773 1.00 0.00 C ATOM 39 C SER A 5 32.207 -31.507 12.462 1.00 0.00 C ATOM 40 O SER A 5 32.138 -31.548 13.690 1.00 0.00 O ATOM 41 CB SER A 5 34.452 -32.030 11.467 1.00 0.00 C ATOM 42 OG SER A 5 34.662 -32.886 12.587 1.00 0.00 O ATOM 0 H SER A 5 35.021 -30.027 12.819 1.00 0.00 H new ATOM 0 HA SER A 5 33.143 -30.471 10.827 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.098 -32.620 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 35.401 -31.583 11.169 1.00 0.00 H new ATOM 0 HG SER A 5 35.312 -33.580 12.351 1.00 0.00 H new ATOM 48 N SER A 6 31.263 -31.945 11.643 1.00 0.00 N ATOM 49 CA SER A 6 30.034 -32.525 12.159 1.00 0.00 C ATOM 50 C SER A 6 29.149 -32.991 11.001 1.00 0.00 C ATOM 51 O SER A 6 29.330 -32.558 9.864 1.00 0.00 O ATOM 52 CB SER A 6 29.279 -31.525 13.036 1.00 0.00 C ATOM 53 OG SER A 6 28.480 -30.634 12.263 1.00 0.00 O ATOM 0 H SER A 6 31.324 -31.910 10.625 1.00 0.00 H new ATOM 0 HA SER A 6 30.294 -33.384 12.777 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.644 -32.066 13.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.992 -30.951 13.628 1.00 0.00 H new ATOM 0 HG SER A 6 28.013 -30.012 12.859 1.00 0.00 H new ATOM 59 N GLY A 7 28.211 -33.867 11.331 1.00 0.00 N ATOM 60 CA GLY A 7 27.297 -34.396 10.333 1.00 0.00 C ATOM 61 C GLY A 7 26.372 -33.300 9.801 1.00 0.00 C ATOM 62 O GLY A 7 26.801 -32.165 9.598 1.00 0.00 O ATOM 0 H GLY A 7 28.064 -34.224 12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.864 -34.830 9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.702 -35.199 10.769 1.00 0.00 H new ATOM 66 N ILE A 8 25.120 -33.677 9.590 1.00 0.00 N ATOM 67 CA ILE A 8 24.130 -32.741 9.085 1.00 0.00 C ATOM 68 C ILE A 8 24.750 -31.906 7.963 1.00 0.00 C ATOM 69 O ILE A 8 24.907 -30.693 8.101 1.00 0.00 O ATOM 70 CB ILE A 8 23.553 -31.903 10.229 1.00 0.00 C ATOM 71 CG1 ILE A 8 22.514 -30.908 9.709 1.00 0.00 C ATOM 72 CG2 ILE A 8 24.667 -31.210 11.016 1.00 0.00 C ATOM 73 CD1 ILE A 8 21.160 -31.125 10.387 1.00 0.00 C ATOM 0 H ILE A 8 24.768 -34.619 9.760 1.00 0.00 H new ATOM 0 HA ILE A 8 23.284 -33.276 8.654 1.00 0.00 H new ATOM 0 HB ILE A 8 23.040 -32.573 10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 8 22.857 -29.890 9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 8 22.407 -31.019 8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 8 24.230 -30.621 11.823 1.00 0.00 H new ATOM 0 HG22 ILE A 8 25.337 -31.960 11.436 1.00 0.00 H new ATOM 0 HG23 ILE A 8 25.228 -30.554 10.351 1.00 0.00 H new ATOM 0 HD11 ILE A 8 20.439 -30.405 9.999 1.00 0.00 H new ATOM 0 HD12 ILE A 8 20.808 -32.136 10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 8 21.266 -30.989 11.463 1.00 0.00 H new ATOM 85 N PRO A 9 25.096 -32.605 6.850 1.00 0.00 N ATOM 86 CA PRO A 9 25.695 -31.942 5.705 1.00 0.00 C ATOM 87 C PRO A 9 24.649 -31.146 4.922 1.00 0.00 C ATOM 88 O PRO A 9 24.896 -30.007 4.529 1.00 0.00 O ATOM 89 CB PRO A 9 26.325 -33.058 4.888 1.00 0.00 C ATOM 90 CG PRO A 9 25.661 -34.343 5.356 1.00 0.00 C ATOM 91 CD PRO A 9 24.925 -34.042 6.652 1.00 0.00 C ATOM 0 HA PRO A 9 26.445 -31.205 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 9 26.163 -32.901 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 9 27.403 -33.096 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 9 24.968 -34.712 4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 9 26.406 -35.123 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 9 23.871 -34.309 6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 9 25.341 -34.609 7.485 1.00 0.00 H new ATOM 99 N GLY A 10 23.502 -31.777 4.719 1.00 0.00 N ATOM 100 CA GLY A 10 22.417 -31.142 3.991 1.00 0.00 C ATOM 101 C GLY A 10 21.995 -31.988 2.788 1.00 0.00 C ATOM 102 O GLY A 10 22.615 -31.919 1.728 1.00 0.00 O ATOM 0 H GLY A 10 23.300 -32.722 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.565 -30.997 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.730 -30.154 3.653 1.00 0.00 H new ATOM 106 N PRO A 11 20.915 -32.788 2.998 1.00 0.00 N ATOM 107 CA PRO A 11 20.404 -33.647 1.943 1.00 0.00 C ATOM 108 C PRO A 11 19.641 -32.833 0.895 1.00 0.00 C ATOM 109 O PRO A 11 18.485 -32.469 1.107 1.00 0.00 O ATOM 110 CB PRO A 11 19.530 -34.666 2.655 1.00 0.00 C ATOM 111 CG PRO A 11 19.212 -34.066 4.014 1.00 0.00 C ATOM 112 CD PRO A 11 20.156 -32.896 4.240 1.00 0.00 C ATOM 0 HA PRO A 11 21.197 -34.144 1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.618 -34.860 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.048 -35.619 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.175 -33.732 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.335 -34.812 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.606 -31.978 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.813 -33.076 5.091 1.00 0.00 H new ATOM 120 N GLY A 12 20.319 -32.571 -0.213 1.00 0.00 N ATOM 121 CA GLY A 12 19.720 -31.807 -1.294 1.00 0.00 C ATOM 122 C GLY A 12 18.701 -32.652 -2.063 1.00 0.00 C ATOM 123 O GLY A 12 19.046 -33.695 -2.616 1.00 0.00 O ATOM 0 H GLY A 12 21.277 -32.874 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.232 -30.920 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 12 20.498 -31.461 -1.974 1.00 0.00 H new ATOM 127 N PHE A 13 17.468 -32.169 -2.073 1.00 0.00 N ATOM 128 CA PHE A 13 16.397 -32.866 -2.765 1.00 0.00 C ATOM 129 C PHE A 13 15.151 -31.985 -2.878 1.00 0.00 C ATOM 130 O PHE A 13 14.737 -31.362 -1.901 1.00 0.00 O ATOM 131 CB PHE A 13 16.057 -34.104 -1.932 1.00 0.00 C ATOM 132 CG PHE A 13 16.349 -35.429 -2.639 1.00 0.00 C ATOM 133 CD1 PHE A 13 15.424 -35.972 -3.475 1.00 0.00 C ATOM 134 CD2 PHE A 13 17.534 -36.064 -2.432 1.00 0.00 C ATOM 135 CE1 PHE A 13 15.695 -37.202 -4.131 1.00 0.00 C ATOM 136 CE2 PHE A 13 17.805 -37.293 -3.088 1.00 0.00 C ATOM 137 CZ PHE A 13 16.880 -37.837 -3.924 1.00 0.00 C ATOM 0 H PHE A 13 17.186 -31.303 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 13 16.716 -33.129 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 13 16.622 -34.069 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 13 15.001 -34.071 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 13 14.483 -35.468 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 13 18.269 -35.633 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 13 14.960 -37.633 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 13 18.746 -37.797 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 13 17.086 -38.772 -4.423 1.00 0.00 H new ATOM 147 N THR A 14 14.590 -31.960 -4.078 1.00 0.00 N ATOM 148 CA THR A 14 13.400 -31.165 -4.330 1.00 0.00 C ATOM 149 C THR A 14 12.156 -31.884 -3.804 1.00 0.00 C ATOM 150 O THR A 14 12.058 -33.107 -3.894 1.00 0.00 O ATOM 151 CB THR A 14 13.341 -30.866 -5.830 1.00 0.00 C ATOM 152 OG1 THR A 14 14.310 -29.839 -6.018 1.00 0.00 O ATOM 153 CG2 THR A 14 12.021 -30.214 -6.245 1.00 0.00 C ATOM 0 H THR A 14 14.937 -32.477 -4.886 1.00 0.00 H new ATOM 0 HA THR A 14 13.438 -30.216 -3.795 1.00 0.00 H new ATOM 0 HB THR A 14 13.481 -31.791 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.339 -29.586 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.031 -30.023 -7.318 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.194 -30.881 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.896 -29.273 -5.710 1.00 0.00 H new ATOM 161 N ALA A 15 11.238 -31.094 -3.268 1.00 0.00 N ATOM 162 CA ALA A 15 10.004 -31.640 -2.727 1.00 0.00 C ATOM 163 C ALA A 15 8.887 -31.486 -3.761 1.00 0.00 C ATOM 164 O ALA A 15 8.294 -32.473 -4.192 1.00 0.00 O ATOM 165 CB ALA A 15 9.675 -30.946 -1.405 1.00 0.00 C ATOM 0 H ALA A 15 11.323 -30.080 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 15 10.114 -32.704 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.750 -31.355 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.486 -31.111 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.554 -29.876 -1.576 1.00 0.00 H new ATOM 171 N GLY A 16 8.634 -30.239 -4.130 1.00 0.00 N ATOM 172 CA GLY A 16 7.599 -29.942 -5.105 1.00 0.00 C ATOM 173 C GLY A 16 6.264 -30.567 -4.695 1.00 0.00 C ATOM 174 O GLY A 16 5.737 -31.430 -5.397 1.00 0.00 O ATOM 0 H GLY A 16 9.128 -29.422 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.485 -28.862 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.896 -30.320 -6.083 1.00 0.00 H new ATOM 178 N ALA A 17 5.756 -30.108 -3.561 1.00 0.00 N ATOM 179 CA ALA A 17 4.493 -30.612 -3.049 1.00 0.00 C ATOM 180 C ALA A 17 3.719 -29.466 -2.395 1.00 0.00 C ATOM 181 O ALA A 17 2.613 -29.136 -2.821 1.00 0.00 O ATOM 182 CB ALA A 17 4.758 -31.765 -2.079 1.00 0.00 C ATOM 0 H ALA A 17 6.196 -29.393 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 17 3.879 -31.004 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.810 -32.143 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.283 -32.565 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.369 -31.410 -1.250 1.00 0.00 H new ATOM 188 N GLN A 18 4.331 -28.889 -1.371 1.00 0.00 N ATOM 189 CA GLN A 18 3.714 -27.787 -0.654 1.00 0.00 C ATOM 190 C GLN A 18 3.397 -26.640 -1.615 1.00 0.00 C ATOM 191 O GLN A 18 3.596 -26.764 -2.823 1.00 0.00 O ATOM 192 CB GLN A 18 4.607 -27.310 0.493 1.00 0.00 C ATOM 193 CG GLN A 18 6.070 -27.234 0.053 1.00 0.00 C ATOM 194 CD GLN A 18 6.857 -26.262 0.935 1.00 0.00 C ATOM 195 OE1 GLN A 18 6.654 -25.059 0.912 1.00 0.00 O ATOM 196 NE2 GLN A 18 7.765 -26.848 1.710 1.00 0.00 N ATOM 0 H GLN A 18 5.249 -29.165 -1.021 1.00 0.00 H new ATOM 0 HA GLN A 18 2.779 -28.140 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.275 -26.329 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.513 -27.991 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.521 -28.225 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.125 -26.913 -0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.884 -27.861 1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.343 -26.285 2.334 1.00 0.00 H new ATOM 205 N GLY A 19 2.908 -25.549 -1.043 1.00 0.00 N ATOM 206 CA GLY A 19 2.562 -24.380 -1.835 1.00 0.00 C ATOM 207 C GLY A 19 1.046 -24.262 -2.004 1.00 0.00 C ATOM 208 O GLY A 19 0.535 -24.335 -3.120 1.00 0.00 O ATOM 0 H GLY A 19 2.743 -25.450 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.949 -23.482 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.037 -24.446 -2.814 1.00 0.00 H new ATOM 212 N SER A 20 0.369 -24.083 -0.879 1.00 0.00 N ATOM 213 CA SER A 20 -1.078 -23.954 -0.889 1.00 0.00 C ATOM 214 C SER A 20 -1.496 -22.686 -0.142 1.00 0.00 C ATOM 215 O SER A 20 -0.801 -22.241 0.770 1.00 0.00 O ATOM 216 CB SER A 20 -1.744 -25.182 -0.264 1.00 0.00 C ATOM 217 OG SER A 20 -2.127 -26.140 -1.247 1.00 0.00 O ATOM 0 H SER A 20 0.796 -24.024 0.045 1.00 0.00 H new ATOM 0 HA SER A 20 -1.408 -23.882 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.058 -25.645 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.623 -24.870 0.300 1.00 0.00 H new ATOM 0 HG SER A 20 -2.515 -25.679 -2.020 1.00 0.00 H new ATOM 223 N CYS A 21 -2.629 -22.140 -0.557 1.00 0.00 N ATOM 224 CA CYS A 21 -3.148 -20.931 0.062 1.00 0.00 C ATOM 225 C CYS A 21 -4.605 -21.181 0.457 1.00 0.00 C ATOM 226 O CYS A 21 -5.468 -20.335 0.227 1.00 0.00 O ATOM 227 CB CYS A 21 -3.006 -19.718 -0.860 1.00 0.00 C ATOM 228 SG CYS A 21 -1.324 -19.457 -1.532 1.00 0.00 S ATOM 0 H CYS A 21 -3.203 -22.512 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.566 -20.697 0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.701 -19.829 -1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.305 -18.825 -0.311 1.00 0.00 H new ATOM 233 N SER A 22 -4.834 -22.346 1.044 1.00 0.00 N ATOM 234 CA SER A 22 -6.171 -22.718 1.474 1.00 0.00 C ATOM 235 C SER A 22 -6.543 -21.955 2.747 1.00 0.00 C ATOM 236 O SER A 22 -7.652 -22.100 3.260 1.00 0.00 O ATOM 237 CB SER A 22 -6.275 -24.226 1.709 1.00 0.00 C ATOM 238 OG SER A 22 -7.521 -24.590 2.297 1.00 0.00 O ATOM 0 H SER A 22 -4.116 -23.045 1.232 1.00 0.00 H new ATOM 0 HA SER A 22 -6.871 -22.453 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.155 -24.750 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.460 -24.549 2.357 1.00 0.00 H new ATOM 0 HG SER A 22 -7.935 -23.799 2.702 1.00 0.00 H new ATOM 244 N LEU A 23 -5.595 -21.160 3.220 1.00 0.00 N ATOM 245 CA LEU A 23 -5.809 -20.374 4.423 1.00 0.00 C ATOM 246 C LEU A 23 -4.673 -19.361 4.575 1.00 0.00 C ATOM 247 O LEU A 23 -4.283 -19.023 5.691 1.00 0.00 O ATOM 248 CB LEU A 23 -5.983 -21.290 5.637 1.00 0.00 C ATOM 249 CG LEU A 23 -4.875 -22.320 5.863 1.00 0.00 C ATOM 250 CD1 LEU A 23 -3.523 -21.785 5.388 1.00 0.00 C ATOM 251 CD2 LEU A 23 -4.832 -22.768 7.326 1.00 0.00 C ATOM 0 H LEU A 23 -4.677 -21.043 2.792 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.735 -19.805 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.061 -20.668 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.930 -21.820 5.535 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.101 -23.201 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.753 -22.537 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.576 -21.557 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.275 -20.879 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.036 -23.500 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.643 -21.906 7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.787 -23.218 7.597 1.00 0.00 H new ATOM 263 N ARG A 24 -4.174 -18.905 3.435 1.00 0.00 N ATOM 264 CA ARG A 24 -3.090 -17.937 3.427 1.00 0.00 C ATOM 265 C ARG A 24 -3.619 -16.551 3.053 1.00 0.00 C ATOM 266 O ARG A 24 -4.056 -15.795 3.920 1.00 0.00 O ATOM 267 CB ARG A 24 -1.997 -18.342 2.436 1.00 0.00 C ATOM 268 CG ARG A 24 -1.226 -19.564 2.940 1.00 0.00 C ATOM 269 CD ARG A 24 -0.403 -19.219 4.183 1.00 0.00 C ATOM 270 NE ARG A 24 1.032 -19.139 3.833 1.00 0.00 N ATOM 271 CZ ARG A 24 2.030 -19.271 4.718 1.00 0.00 C ATOM 272 NH1 ARG A 24 1.754 -19.491 6.010 1.00 0.00 N ATOM 273 NH2 ARG A 24 3.303 -19.184 4.310 1.00 0.00 N ATOM 0 H ARG A 24 -4.500 -19.188 2.511 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.663 -17.909 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.444 -18.564 1.467 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.309 -17.510 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.924 -20.368 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.567 -19.932 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.738 -18.269 4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.557 -19.976 4.953 1.00 0.00 H new ATOM 0 HE ARG A 24 1.277 -18.973 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.785 -19.558 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.513 -19.592 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.513 -19.017 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.062 -19.284 4.984 1.00 0.00 H new ATOM 287 N CYS A 25 -3.562 -16.259 1.762 1.00 0.00 N ATOM 288 CA CYS A 25 -4.030 -14.977 1.263 1.00 0.00 C ATOM 289 C CYS A 25 -3.217 -13.872 1.941 1.00 0.00 C ATOM 290 O CYS A 25 -3.763 -12.835 2.313 1.00 0.00 O ATOM 291 CB CYS A 25 -5.533 -14.798 1.486 1.00 0.00 C ATOM 292 SG CYS A 25 -6.589 -16.003 0.601 1.00 0.00 S ATOM 0 H CYS A 25 -3.199 -16.888 1.046 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.881 -14.927 0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.739 -14.871 2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.815 -13.792 1.175 1.00 0.00 H new ATOM 297 N GLY A 26 -1.926 -14.132 2.080 1.00 0.00 N ATOM 298 CA GLY A 26 -1.032 -13.173 2.706 1.00 0.00 C ATOM 299 C GLY A 26 0.230 -13.860 3.231 1.00 0.00 C ATOM 300 O GLY A 26 0.502 -13.835 4.430 1.00 0.00 O ATOM 0 H GLY A 26 -1.477 -14.994 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.758 -12.402 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.546 -12.673 3.527 1.00 0.00 H new ATOM 304 N ALA A 27 0.968 -14.458 2.306 1.00 0.00 N ATOM 305 CA ALA A 27 2.195 -15.151 2.661 1.00 0.00 C ATOM 306 C ALA A 27 3.082 -15.274 1.420 1.00 0.00 C ATOM 307 O ALA A 27 2.588 -15.246 0.294 1.00 0.00 O ATOM 308 CB ALA A 27 1.854 -16.512 3.271 1.00 0.00 C ATOM 0 H ALA A 27 0.740 -14.477 1.312 1.00 0.00 H new ATOM 0 HA ALA A 27 2.752 -14.588 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.774 -17.032 3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.247 -16.368 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.298 -17.107 2.546 1.00 0.00 H new ATOM 314 N GLN A 28 4.377 -15.407 1.669 1.00 0.00 N ATOM 315 CA GLN A 28 5.337 -15.535 0.586 1.00 0.00 C ATOM 316 C GLN A 28 6.192 -16.788 0.780 1.00 0.00 C ATOM 317 O GLN A 28 6.791 -16.978 1.838 1.00 0.00 O ATOM 318 CB GLN A 28 6.213 -14.285 0.481 1.00 0.00 C ATOM 319 CG GLN A 28 5.356 -13.026 0.326 1.00 0.00 C ATOM 320 CD GLN A 28 5.545 -12.401 -1.058 1.00 0.00 C ATOM 321 OE1 GLN A 28 5.541 -13.073 -2.077 1.00 0.00 O ATOM 322 NE2 GLN A 28 5.711 -11.082 -1.038 1.00 0.00 N ATOM 0 H GLN A 28 4.783 -15.429 2.604 1.00 0.00 H new ATOM 0 HA GLN A 28 4.788 -15.635 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.836 -14.198 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.886 -14.379 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.306 -13.276 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.624 -12.302 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.704 -10.580 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.846 -10.572 -1.911 1.00 0.00 H new ATOM 331 N ASP A 29 6.223 -17.612 -0.257 1.00 0.00 N ATOM 332 CA ASP A 29 6.994 -18.842 -0.214 1.00 0.00 C ATOM 333 C ASP A 29 7.896 -18.916 -1.448 1.00 0.00 C ATOM 334 O ASP A 29 7.858 -18.034 -2.303 1.00 0.00 O ATOM 335 CB ASP A 29 6.078 -20.068 -0.224 1.00 0.00 C ATOM 336 CG ASP A 29 5.823 -20.695 1.148 1.00 0.00 C ATOM 337 OD1 ASP A 29 4.914 -20.191 1.842 1.00 0.00 O ATOM 338 OD2 ASP A 29 6.543 -21.664 1.472 1.00 0.00 O ATOM 0 H ASP A 29 5.726 -17.451 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 29 7.582 -18.839 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.121 -19.784 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.515 -20.824 -0.877 1.00 0.00 H new ATOM 343 N GLY A 30 8.687 -19.978 -1.500 1.00 0.00 N ATOM 344 CA GLY A 30 9.597 -20.180 -2.615 1.00 0.00 C ATOM 345 C GLY A 30 8.885 -20.854 -3.789 1.00 0.00 C ATOM 346 O GLY A 30 8.962 -20.379 -4.921 1.00 0.00 O ATOM 0 H GLY A 30 8.717 -20.708 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.005 -19.221 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.439 -20.794 -2.295 1.00 0.00 H new ATOM 350 N LEU A 31 8.208 -21.949 -3.479 1.00 0.00 N ATOM 351 CA LEU A 31 7.483 -22.693 -4.495 1.00 0.00 C ATOM 352 C LEU A 31 6.397 -21.799 -5.098 1.00 0.00 C ATOM 353 O LEU A 31 6.211 -21.777 -6.314 1.00 0.00 O ATOM 354 CB LEU A 31 6.949 -24.006 -3.919 1.00 0.00 C ATOM 355 CG LEU A 31 7.511 -25.288 -4.536 1.00 0.00 C ATOM 356 CD1 LEU A 31 8.959 -25.518 -4.097 1.00 0.00 C ATOM 357 CD2 LEU A 31 6.618 -26.488 -4.218 1.00 0.00 C ATOM 0 H LEU A 31 8.146 -22.339 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 31 8.151 -22.977 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.156 -24.021 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.865 -24.016 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 31 7.517 -25.171 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.335 -26.436 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.574 -24.677 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.001 -25.605 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.041 -27.386 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.556 -26.619 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.620 -26.316 -4.621 1.00 0.00 H new ATOM 369 N CYS A 32 5.709 -21.084 -4.220 1.00 0.00 N ATOM 370 CA CYS A 32 4.647 -20.191 -4.651 1.00 0.00 C ATOM 371 C CYS A 32 4.566 -19.028 -3.660 1.00 0.00 C ATOM 372 O CYS A 32 5.504 -18.789 -2.900 1.00 0.00 O ATOM 373 CB CYS A 32 3.310 -20.923 -4.782 1.00 0.00 C ATOM 374 SG CYS A 32 2.307 -20.968 -3.252 1.00 0.00 S ATOM 0 H CYS A 32 5.866 -21.105 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 32 4.874 -19.806 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.726 -20.446 -5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.502 -21.946 -5.104 1.00 0.00 H new ATOM 379 N SER A 33 3.438 -18.336 -3.700 1.00 0.00 N ATOM 380 CA SER A 33 3.222 -17.204 -2.815 1.00 0.00 C ATOM 381 C SER A 33 1.740 -16.823 -2.804 1.00 0.00 C ATOM 382 O SER A 33 1.086 -16.829 -3.845 1.00 0.00 O ATOM 383 CB SER A 33 4.075 -16.005 -3.236 1.00 0.00 C ATOM 384 OG SER A 33 4.011 -14.944 -2.287 1.00 0.00 O ATOM 0 H SER A 33 2.663 -18.537 -4.332 1.00 0.00 H new ATOM 0 HA SER A 33 3.523 -17.495 -1.809 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.111 -16.322 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.738 -15.643 -4.207 1.00 0.00 H new ATOM 0 HG SER A 33 4.785 -14.355 -2.403 1.00 0.00 H new ATOM 390 N CYS A 34 1.254 -16.501 -1.614 1.00 0.00 N ATOM 391 CA CYS A 34 -0.138 -16.118 -1.453 1.00 0.00 C ATOM 392 C CYS A 34 -0.208 -14.593 -1.343 1.00 0.00 C ATOM 393 O CYS A 34 -1.245 -14.040 -0.979 1.00 0.00 O ATOM 394 CB CYS A 34 -0.779 -16.807 -0.247 1.00 0.00 C ATOM 395 SG CYS A 34 -0.332 -18.570 -0.044 1.00 0.00 S ATOM 0 H CYS A 34 1.800 -16.498 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.710 -16.445 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.493 -16.268 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.863 -16.729 -0.335 1.00 0.00 H new ATOM 400 N HIS A 35 0.910 -13.957 -1.662 1.00 0.00 N ATOM 401 CA HIS A 35 0.988 -12.508 -1.603 1.00 0.00 C ATOM 402 C HIS A 35 0.420 -11.910 -2.892 1.00 0.00 C ATOM 403 O HIS A 35 0.457 -12.545 -3.944 1.00 0.00 O ATOM 404 CB HIS A 35 2.422 -12.052 -1.321 1.00 0.00 C ATOM 405 CG HIS A 35 2.527 -10.969 -0.274 1.00 0.00 C ATOM 406 ND1 HIS A 35 3.353 -9.868 -0.416 1.00 0.00 N ATOM 407 CD2 HIS A 35 1.901 -10.828 0.929 1.00 0.00 C ATOM 408 CE1 HIS A 35 3.223 -9.106 0.661 1.00 0.00 C ATOM 409 NE2 HIS A 35 2.323 -9.704 1.493 1.00 0.00 N ATOM 0 H HIS A 35 1.769 -14.419 -1.962 1.00 0.00 H new ATOM 0 HA HIS A 35 0.381 -12.142 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.009 -12.912 -1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.867 -11.691 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.183 -11.515 1.351 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.739 -8.176 0.847 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.024 -9.346 2.400 1.00 0.00 H new ATOM 417 N PRO A 36 -0.107 -10.663 -2.763 1.00 0.00 N ATOM 418 CA PRO A 36 -0.683 -9.972 -3.904 1.00 0.00 C ATOM 419 C PRO A 36 0.411 -9.451 -4.839 1.00 0.00 C ATOM 420 O PRO A 36 0.152 -9.170 -6.008 1.00 0.00 O ATOM 421 CB PRO A 36 -1.531 -8.862 -3.306 1.00 0.00 C ATOM 422 CG PRO A 36 -1.034 -8.680 -1.881 1.00 0.00 C ATOM 423 CD PRO A 36 -0.169 -9.880 -1.532 1.00 0.00 C ATOM 0 HA PRO A 36 -1.291 -10.627 -4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.426 -7.940 -3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.588 -9.127 -3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.461 -7.757 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.874 -8.601 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.825 -9.571 -1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.604 -10.458 -0.717 1.00 0.00 H new ATOM 431 N THR A 37 1.611 -9.337 -4.288 1.00 0.00 N ATOM 432 CA THR A 37 2.745 -8.854 -5.057 1.00 0.00 C ATOM 433 C THR A 37 3.365 -9.995 -5.866 1.00 0.00 C ATOM 434 O THR A 37 4.313 -9.783 -6.621 1.00 0.00 O ATOM 435 CB THR A 37 3.727 -8.193 -4.088 1.00 0.00 C ATOM 436 OG1 THR A 37 4.390 -9.289 -3.464 1.00 0.00 O ATOM 437 CG2 THR A 37 3.019 -7.480 -2.934 1.00 0.00 C ATOM 0 H THR A 37 1.822 -9.571 -3.318 1.00 0.00 H new ATOM 0 HA THR A 37 2.437 -8.108 -5.789 1.00 0.00 H new ATOM 0 HB THR A 37 4.347 -7.479 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.050 -9.401 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.761 -7.028 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.366 -6.703 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.425 -8.200 -2.371 1.00 0.00 H new ATOM 445 N CYS A 38 2.804 -11.182 -5.681 1.00 0.00 N ATOM 446 CA CYS A 38 3.290 -12.357 -6.384 1.00 0.00 C ATOM 447 C CYS A 38 3.051 -12.154 -7.882 1.00 0.00 C ATOM 448 O CYS A 38 3.615 -12.871 -8.707 1.00 0.00 O ATOM 449 CB CYS A 38 2.630 -13.637 -5.869 1.00 0.00 C ATOM 450 SG CYS A 38 0.888 -13.862 -6.380 1.00 0.00 S ATOM 0 H CYS A 38 2.018 -11.355 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 38 4.358 -12.478 -6.201 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.209 -14.493 -6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.678 -13.641 -4.780 1.00 0.00 H new ATOM 455 N SER A 39 2.214 -11.173 -8.187 1.00 0.00 N ATOM 456 CA SER A 39 1.893 -10.867 -9.571 1.00 0.00 C ATOM 457 C SER A 39 3.105 -10.241 -10.263 1.00 0.00 C ATOM 458 O SER A 39 3.407 -10.568 -11.409 1.00 0.00 O ATOM 459 CB SER A 39 0.687 -9.929 -9.662 1.00 0.00 C ATOM 460 OG SER A 39 0.959 -8.653 -9.090 1.00 0.00 O ATOM 0 H SER A 39 1.749 -10.580 -7.500 1.00 0.00 H new ATOM 0 HA SER A 39 1.635 -11.798 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.402 -9.805 -10.707 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.163 -10.381 -9.152 1.00 0.00 H new ATOM 0 HG SER A 39 0.735 -8.668 -8.136 1.00 0.00 H new ATOM 466 N GLY A 40 3.767 -9.352 -9.537 1.00 0.00 N ATOM 467 CA GLY A 40 4.940 -8.677 -10.067 1.00 0.00 C ATOM 468 C GLY A 40 6.156 -9.606 -10.062 1.00 0.00 C ATOM 469 O GLY A 40 7.036 -9.487 -10.913 1.00 0.00 O ATOM 0 H GLY A 40 3.514 -9.083 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.741 -8.338 -11.084 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.153 -7.789 -9.471 1.00 0.00 H new ATOM 473 N LEU A 41 6.165 -10.511 -9.094 1.00 0.00 N ATOM 474 CA LEU A 41 7.259 -11.460 -8.967 1.00 0.00 C ATOM 475 C LEU A 41 7.013 -12.643 -9.906 1.00 0.00 C ATOM 476 O LEU A 41 7.856 -12.960 -10.743 1.00 0.00 O ATOM 477 CB LEU A 41 7.449 -11.865 -7.504 1.00 0.00 C ATOM 478 CG LEU A 41 7.779 -10.730 -6.532 1.00 0.00 C ATOM 479 CD1 LEU A 41 6.861 -10.773 -5.308 1.00 0.00 C ATOM 480 CD2 LEU A 41 9.258 -10.757 -6.140 1.00 0.00 C ATOM 0 H LEU A 41 5.433 -10.607 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 41 8.200 -11.001 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.538 -12.356 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.248 -12.604 -7.453 1.00 0.00 H new ATOM 0 HG LEU A 41 7.597 -9.782 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.116 -9.956 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.824 -10.670 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.988 -11.724 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.466 -9.940 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.490 -11.707 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.873 -10.643 -7.033 1.00 0.00 H new ATOM 492 N GLY A 42 5.855 -13.263 -9.734 1.00 0.00 N ATOM 493 CA GLY A 42 5.488 -14.404 -10.556 1.00 0.00 C ATOM 494 C GLY A 42 5.647 -15.712 -9.779 1.00 0.00 C ATOM 495 O GLY A 42 6.049 -16.728 -10.343 1.00 0.00 O ATOM 0 H GLY A 42 5.159 -12.997 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.456 -14.299 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.112 -14.429 -11.449 1.00 0.00 H new ATOM 499 N THR A 43 5.324 -15.645 -8.496 1.00 0.00 N ATOM 500 CA THR A 43 5.426 -16.811 -7.636 1.00 0.00 C ATOM 501 C THR A 43 4.046 -17.204 -7.103 1.00 0.00 C ATOM 502 O THR A 43 3.941 -17.928 -6.115 1.00 0.00 O ATOM 503 CB THR A 43 6.436 -16.498 -6.531 1.00 0.00 C ATOM 504 OG1 THR A 43 5.938 -15.304 -5.933 1.00 0.00 O ATOM 505 CG2 THR A 43 7.804 -16.094 -7.086 1.00 0.00 C ATOM 0 H THR A 43 4.991 -14.800 -8.031 1.00 0.00 H new ATOM 0 HA THR A 43 5.786 -17.679 -8.189 1.00 0.00 H new ATOM 0 HB THR A 43 6.549 -17.369 -5.885 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.533 -15.031 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.484 -15.883 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.207 -16.908 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.697 -15.203 -7.705 1.00 0.00 H new ATOM 513 N CYS A 44 3.022 -16.709 -7.783 1.00 0.00 N ATOM 514 CA CYS A 44 1.653 -16.998 -7.391 1.00 0.00 C ATOM 515 C CYS A 44 1.431 -18.508 -7.502 1.00 0.00 C ATOM 516 O CYS A 44 1.996 -19.159 -8.380 1.00 0.00 O ATOM 517 CB CYS A 44 0.645 -16.209 -8.229 1.00 0.00 C ATOM 518 SG CYS A 44 0.959 -14.408 -8.312 1.00 0.00 S ATOM 0 H CYS A 44 3.113 -16.109 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 44 1.493 -16.683 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.643 -16.610 -9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.352 -16.371 -7.820 1.00 0.00 H new ATOM 523 N CYS A 45 0.606 -19.021 -6.601 1.00 0.00 N ATOM 524 CA CYS A 45 0.302 -20.442 -6.588 1.00 0.00 C ATOM 525 C CYS A 45 -0.812 -20.704 -7.603 1.00 0.00 C ATOM 526 O CYS A 45 -1.437 -19.769 -8.099 1.00 0.00 O ATOM 527 CB CYS A 45 -0.077 -20.926 -5.187 1.00 0.00 C ATOM 528 SG CYS A 45 0.581 -19.905 -3.818 1.00 0.00 S ATOM 0 H CYS A 45 0.139 -18.478 -5.875 1.00 0.00 H new ATOM 0 HA CYS A 45 1.189 -21.009 -6.869 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.164 -20.955 -5.110 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.279 -21.949 -5.062 1.00 0.00 H new ATOM 533 N GLU A 46 -1.025 -21.982 -7.882 1.00 0.00 N ATOM 534 CA GLU A 46 -2.052 -22.379 -8.830 1.00 0.00 C ATOM 535 C GLU A 46 -3.433 -22.319 -8.173 1.00 0.00 C ATOM 536 O GLU A 46 -4.445 -22.187 -8.858 1.00 0.00 O ATOM 537 CB GLU A 46 -1.772 -23.775 -9.389 1.00 0.00 C ATOM 538 CG GLU A 46 -2.635 -24.056 -10.621 1.00 0.00 C ATOM 539 CD GLU A 46 -2.326 -25.437 -11.204 1.00 0.00 C ATOM 540 OE1 GLU A 46 -2.462 -26.418 -10.442 1.00 0.00 O ATOM 541 OE2 GLU A 46 -1.960 -25.479 -12.398 1.00 0.00 O ATOM 0 H GLU A 46 -0.504 -22.755 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.038 -21.679 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.718 -23.860 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.971 -24.524 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.690 -23.999 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.457 -23.290 -11.376 1.00 0.00 H new ATOM 548 N ASP A 47 -3.428 -22.418 -6.851 1.00 0.00 N ATOM 549 CA ASP A 47 -4.667 -22.377 -6.094 1.00 0.00 C ATOM 550 C ASP A 47 -4.703 -21.100 -5.252 1.00 0.00 C ATOM 551 O ASP A 47 -5.573 -20.939 -4.398 1.00 0.00 O ATOM 552 CB ASP A 47 -4.773 -23.572 -5.144 1.00 0.00 C ATOM 553 CG ASP A 47 -3.491 -23.902 -4.376 1.00 0.00 C ATOM 554 OD1 ASP A 47 -2.683 -22.966 -4.191 1.00 0.00 O ATOM 555 OD2 ASP A 47 -3.349 -25.082 -3.990 1.00 0.00 O ATOM 0 H ASP A 47 -2.586 -22.526 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.495 -22.405 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.569 -23.377 -4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.070 -24.449 -5.719 1.00 0.00 H new ATOM 560 N PHE A 48 -3.747 -20.223 -5.524 1.00 0.00 N ATOM 561 CA PHE A 48 -3.659 -18.965 -4.802 1.00 0.00 C ATOM 562 C PHE A 48 -4.865 -18.074 -5.104 1.00 0.00 C ATOM 563 O PHE A 48 -5.489 -17.537 -4.189 1.00 0.00 O ATOM 564 CB PHE A 48 -2.388 -18.262 -5.283 1.00 0.00 C ATOM 565 CG PHE A 48 -2.408 -16.744 -5.098 1.00 0.00 C ATOM 566 CD1 PHE A 48 -2.502 -16.212 -3.850 1.00 0.00 C ATOM 567 CD2 PHE A 48 -2.333 -15.925 -6.182 1.00 0.00 C ATOM 568 CE1 PHE A 48 -2.521 -14.803 -3.678 1.00 0.00 C ATOM 569 CE2 PHE A 48 -2.352 -14.516 -6.010 1.00 0.00 C ATOM 570 CZ PHE A 48 -2.446 -13.984 -4.762 1.00 0.00 C ATOM 0 H PHE A 48 -3.027 -20.359 -6.234 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.639 -19.153 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.533 -18.672 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.238 -18.487 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.562 -16.862 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.259 -16.347 -7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.595 -14.381 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.292 -13.866 -6.871 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.461 -12.912 -4.631 1.00 0.00 H new ATOM 580 N LEU A 49 -5.158 -17.944 -6.389 1.00 0.00 N ATOM 581 CA LEU A 49 -6.279 -17.127 -6.823 1.00 0.00 C ATOM 582 C LEU A 49 -7.587 -17.859 -6.516 1.00 0.00 C ATOM 583 O LEU A 49 -8.578 -17.236 -6.138 1.00 0.00 O ATOM 584 CB LEU A 49 -6.122 -16.739 -8.294 1.00 0.00 C ATOM 585 CG LEU A 49 -5.411 -15.412 -8.566 1.00 0.00 C ATOM 586 CD1 LEU A 49 -5.131 -15.236 -10.060 1.00 0.00 C ATOM 587 CD2 LEU A 49 -6.205 -14.237 -7.990 1.00 0.00 C ATOM 0 H LEU A 49 -4.638 -18.391 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.302 -16.188 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.574 -17.533 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.113 -16.696 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.447 -15.430 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.625 -14.285 -10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.496 -16.050 -10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.072 -15.247 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.678 -13.306 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.193 -14.205 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.310 -14.363 -6.912 1.00 0.00 H new ATOM 599 N ASP A 50 -7.548 -19.172 -6.690 1.00 0.00 N ATOM 600 CA ASP A 50 -8.717 -19.996 -6.437 1.00 0.00 C ATOM 601 C ASP A 50 -9.155 -19.819 -4.982 1.00 0.00 C ATOM 602 O ASP A 50 -10.345 -19.878 -4.676 1.00 0.00 O ATOM 603 CB ASP A 50 -8.407 -21.477 -6.660 1.00 0.00 C ATOM 604 CG ASP A 50 -9.468 -22.249 -7.448 1.00 0.00 C ATOM 605 OD1 ASP A 50 -10.628 -21.785 -7.442 1.00 0.00 O ATOM 606 OD2 ASP A 50 -9.094 -23.286 -8.038 1.00 0.00 O ATOM 0 H ASP A 50 -6.724 -19.686 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.503 -19.685 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.455 -21.558 -7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.277 -21.956 -5.689 1.00 0.00 H new ATOM 611 N TYR A 51 -8.169 -19.606 -4.123 1.00 0.00 N ATOM 612 CA TYR A 51 -8.437 -19.420 -2.707 1.00 0.00 C ATOM 613 C TYR A 51 -8.456 -17.934 -2.343 1.00 0.00 C ATOM 614 O TYR A 51 -9.161 -17.525 -1.421 1.00 0.00 O ATOM 615 CB TYR A 51 -7.284 -20.099 -1.966 1.00 0.00 C ATOM 616 CG TYR A 51 -7.538 -21.571 -1.636 1.00 0.00 C ATOM 617 CD1 TYR A 51 -8.659 -21.934 -0.917 1.00 0.00 C ATOM 618 CD2 TYR A 51 -6.646 -22.537 -2.057 1.00 0.00 C ATOM 619 CE1 TYR A 51 -8.898 -23.319 -0.606 1.00 0.00 C ATOM 620 CE2 TYR A 51 -6.885 -23.922 -1.746 1.00 0.00 C ATOM 621 CZ TYR A 51 -7.999 -24.245 -1.035 1.00 0.00 C ATOM 622 OH TYR A 51 -8.225 -25.554 -0.742 1.00 0.00 O ATOM 0 H TYR A 51 -7.183 -19.558 -4.380 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.408 -19.839 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.381 -20.024 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.092 -19.557 -1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.357 -21.179 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.769 -22.254 -2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.772 -23.616 -0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.195 -24.688 -2.070 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.501 -26.102 -1.112 1.00 0.00 H new ATOM 632 N CYS A 52 -7.673 -17.165 -3.086 1.00 0.00 N ATOM 633 CA CYS A 52 -7.591 -15.733 -2.853 1.00 0.00 C ATOM 634 C CYS A 52 -7.900 -15.014 -4.167 1.00 0.00 C ATOM 635 O CYS A 52 -7.014 -14.417 -4.776 1.00 0.00 O ATOM 636 CB CYS A 52 -6.228 -15.329 -2.288 1.00 0.00 C ATOM 637 SG CYS A 52 -5.509 -16.516 -1.095 1.00 0.00 S ATOM 0 H CYS A 52 -7.090 -17.507 -3.850 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.323 -15.442 -2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.531 -15.200 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.326 -14.359 -1.800 1.00 0.00 H new ATOM 642 N LEU A 53 -9.161 -15.095 -4.567 1.00 0.00 N ATOM 643 CA LEU A 53 -9.598 -14.460 -5.798 1.00 0.00 C ATOM 644 C LEU A 53 -10.350 -13.170 -5.462 1.00 0.00 C ATOM 645 O LEU A 53 -10.862 -12.496 -6.354 1.00 0.00 O ATOM 646 CB LEU A 53 -10.409 -15.440 -6.648 1.00 0.00 C ATOM 647 CG LEU A 53 -9.780 -15.849 -7.982 1.00 0.00 C ATOM 648 CD1 LEU A 53 -10.215 -17.260 -8.384 1.00 0.00 C ATOM 649 CD2 LEU A 53 -10.090 -14.821 -9.072 1.00 0.00 C ATOM 0 H LEU A 53 -9.894 -15.591 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.739 -14.180 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.585 -16.341 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.384 -14.995 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.697 -15.870 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.754 -17.526 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.902 -17.969 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.300 -17.291 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.632 -15.135 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.169 -14.744 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.690 -13.850 -8.780 1.00 0.00 H new ATOM 661 N GLU A 54 -10.393 -12.866 -4.173 1.00 0.00 N ATOM 662 CA GLU A 54 -11.073 -11.670 -3.708 1.00 0.00 C ATOM 663 C GLU A 54 -10.356 -11.092 -2.487 1.00 0.00 C ATOM 664 O GLU A 54 -10.999 -10.687 -1.519 1.00 0.00 O ATOM 665 CB GLU A 54 -12.542 -11.961 -3.395 1.00 0.00 C ATOM 666 CG GLU A 54 -13.452 -10.873 -3.968 1.00 0.00 C ATOM 667 CD GLU A 54 -14.237 -11.394 -5.174 1.00 0.00 C ATOM 668 OE1 GLU A 54 -15.244 -12.094 -4.935 1.00 0.00 O ATOM 669 OE2 GLU A 54 -13.813 -11.079 -6.307 1.00 0.00 O ATOM 0 H GLU A 54 -9.967 -13.428 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.046 -10.927 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.821 -12.929 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.682 -12.025 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.145 -10.531 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.853 -10.012 -4.264 1.00 0.00 H new ATOM 676 N ILE A 55 -9.034 -11.071 -2.571 1.00 0.00 N ATOM 677 CA ILE A 55 -8.223 -10.550 -1.485 1.00 0.00 C ATOM 678 C ILE A 55 -7.545 -9.255 -1.936 1.00 0.00 C ATOM 679 O ILE A 55 -7.301 -8.362 -1.126 1.00 0.00 O ATOM 680 CB ILE A 55 -7.244 -11.615 -0.987 1.00 0.00 C ATOM 681 CG1 ILE A 55 -6.161 -11.895 -2.032 1.00 0.00 C ATOM 682 CG2 ILE A 55 -7.983 -12.889 -0.574 1.00 0.00 C ATOM 683 CD1 ILE A 55 -4.888 -12.428 -1.372 1.00 0.00 C ATOM 0 H ILE A 55 -8.504 -11.407 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.850 -10.301 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.744 -11.230 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.530 -12.620 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.935 -10.981 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.264 -13.630 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.686 -12.659 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.527 -13.288 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.134 -12.619 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.509 -11.691 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.112 -13.355 -0.844 1.00 0.00 H new ATOM 695 N LEU A 56 -7.260 -9.193 -3.229 1.00 0.00 N ATOM 696 CA LEU A 56 -6.615 -8.022 -3.798 1.00 0.00 C ATOM 697 C LEU A 56 -7.374 -6.766 -3.366 1.00 0.00 C ATOM 698 O LEU A 56 -8.565 -6.830 -3.063 1.00 0.00 O ATOM 699 CB LEU A 56 -6.480 -8.169 -5.315 1.00 0.00 C ATOM 700 CG LEU A 56 -5.551 -9.283 -5.802 1.00 0.00 C ATOM 701 CD1 LEU A 56 -6.326 -10.332 -6.603 1.00 0.00 C ATOM 702 CD2 LEU A 56 -4.376 -8.709 -6.595 1.00 0.00 C ATOM 0 H LEU A 56 -7.464 -9.935 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.598 -7.925 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.472 -8.342 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.123 -7.222 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.135 -9.787 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.643 -11.112 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.099 -10.772 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.789 -9.859 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.731 -9.522 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.753 -8.165 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.805 -8.031 -5.960 1.00 0.00 H new ATOM 714 N PRO A 57 -6.636 -5.624 -3.352 1.00 0.00 N ATOM 715 CA PRO A 57 -7.227 -4.356 -2.963 1.00 0.00 C ATOM 716 C PRO A 57 -8.122 -3.804 -4.074 1.00 0.00 C ATOM 717 O PRO A 57 -7.858 -4.023 -5.255 1.00 0.00 O ATOM 718 CB PRO A 57 -6.047 -3.452 -2.647 1.00 0.00 C ATOM 719 CG PRO A 57 -4.840 -4.093 -3.313 1.00 0.00 C ATOM 720 CD PRO A 57 -5.224 -5.511 -3.705 1.00 0.00 C ATOM 0 HA PRO A 57 -7.885 -4.447 -2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.214 -2.444 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.899 -3.365 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.540 -3.522 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.988 -4.102 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.067 -5.684 -4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.622 -6.246 -3.171 1.00 0.00 H new ATOM 728 N SER A 58 -9.163 -3.098 -3.656 1.00 0.00 N ATOM 729 CA SER A 58 -10.098 -2.513 -4.601 1.00 0.00 C ATOM 730 C SER A 58 -11.074 -1.590 -3.869 1.00 0.00 C ATOM 731 O SER A 58 -12.182 -1.999 -3.525 1.00 0.00 O ATOM 732 CB SER A 58 -10.863 -3.598 -5.362 1.00 0.00 C ATOM 733 OG SER A 58 -10.804 -3.404 -6.773 1.00 0.00 O ATOM 0 H SER A 58 -9.379 -2.918 -2.675 1.00 0.00 H new ATOM 0 HA SER A 58 -9.531 -1.929 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.450 -4.575 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.904 -3.601 -5.040 1.00 0.00 H new ATOM 0 HG SER A 58 -11.303 -4.118 -7.222 1.00 0.00 H new ATOM 739 N SER A 59 -10.627 -0.362 -3.651 1.00 0.00 N ATOM 740 CA SER A 59 -11.447 0.623 -2.966 1.00 0.00 C ATOM 741 C SER A 59 -11.572 1.886 -3.820 1.00 0.00 C ATOM 742 O SER A 59 -10.875 2.033 -4.823 1.00 0.00 O ATOM 743 CB SER A 59 -10.864 0.965 -1.593 1.00 0.00 C ATOM 744 OG SER A 59 -10.925 -0.140 -0.696 1.00 0.00 O ATOM 0 H SER A 59 -9.707 -0.026 -3.937 1.00 0.00 H new ATOM 0 HA SER A 59 -12.439 0.197 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.827 1.281 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.409 1.808 -1.168 1.00 0.00 H new ATOM 0 HG SER A 59 -10.542 0.119 0.168 1.00 0.00 H new ATOM 750 N GLY A 60 -12.465 2.766 -3.391 1.00 0.00 N ATOM 751 CA GLY A 60 -12.690 4.012 -4.104 1.00 0.00 C ATOM 752 C GLY A 60 -12.483 5.216 -3.183 1.00 0.00 C ATOM 753 O GLY A 60 -11.454 5.885 -3.252 1.00 0.00 O ATOM 0 H GLY A 60 -13.041 2.641 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.009 4.078 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.703 4.027 -4.506 1.00 0.00 H new ATOM 757 N SER A 61 -13.479 5.454 -2.341 1.00 0.00 N ATOM 758 CA SER A 61 -13.419 6.566 -1.408 1.00 0.00 C ATOM 759 C SER A 61 -13.410 7.891 -2.171 1.00 0.00 C ATOM 760 O SER A 61 -12.459 8.190 -2.892 1.00 0.00 O ATOM 761 CB SER A 61 -12.186 6.464 -0.507 1.00 0.00 C ATOM 762 OG SER A 61 -12.184 7.461 0.510 1.00 0.00 O ATOM 0 H SER A 61 -14.331 4.896 -2.286 1.00 0.00 H new ATOM 0 HA SER A 61 -14.304 6.526 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.154 5.477 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.285 6.562 -1.113 1.00 0.00 H new ATOM 0 HG SER A 61 -11.382 7.361 1.065 1.00 0.00 H new ATOM 768 N MET A 62 -14.480 8.651 -1.988 1.00 0.00 N ATOM 769 CA MET A 62 -14.608 9.937 -2.651 1.00 0.00 C ATOM 770 C MET A 62 -13.408 10.835 -2.341 1.00 0.00 C ATOM 771 O MET A 62 -12.595 10.513 -1.476 1.00 0.00 O ATOM 772 CB MET A 62 -15.894 10.625 -2.188 1.00 0.00 C ATOM 773 CG MET A 62 -17.119 10.014 -2.870 1.00 0.00 C ATOM 774 SD MET A 62 -18.346 9.583 -1.648 1.00 0.00 S ATOM 775 CE MET A 62 -18.128 7.812 -1.601 1.00 0.00 C ATOM 0 H MET A 62 -15.267 8.400 -1.389 1.00 0.00 H new ATOM 0 HA MET A 62 -14.644 9.768 -3.727 1.00 0.00 H new ATOM 0 HB2 MET A 62 -15.991 10.532 -1.106 1.00 0.00 H new ATOM 0 HB3 MET A 62 -15.842 11.690 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 62 -17.539 10.722 -3.585 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.828 9.127 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 62 -18.356 7.444 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 62 -18.799 7.344 -2.322 1.00 0.00 H new ATOM 0 HE3 MET A 62 -17.096 7.566 -1.852 1.00 0.00 H new ATOM 785 N MET A 63 -13.336 11.943 -3.064 1.00 0.00 N ATOM 786 CA MET A 63 -12.249 12.889 -2.878 1.00 0.00 C ATOM 787 C MET A 63 -12.763 14.329 -2.920 1.00 0.00 C ATOM 788 O MET A 63 -12.860 14.926 -3.991 1.00 0.00 O ATOM 789 CB MET A 63 -11.202 12.688 -3.975 1.00 0.00 C ATOM 790 CG MET A 63 -9.789 12.675 -3.389 1.00 0.00 C ATOM 791 SD MET A 63 -9.058 14.298 -3.524 1.00 0.00 S ATOM 792 CE MET A 63 -7.347 13.893 -3.219 1.00 0.00 C ATOM 0 H MET A 63 -14.013 12.207 -3.780 1.00 0.00 H new ATOM 0 HA MET A 63 -11.801 12.711 -1.900 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.392 11.750 -4.496 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.286 13.486 -4.713 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.823 12.368 -2.344 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.174 11.945 -3.916 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.744 14.800 -3.267 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.250 13.444 -2.230 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.000 13.187 -3.973 1.00 0.00 H new ATOM 802 N GLY A 64 -13.080 14.846 -1.742 1.00 0.00 N ATOM 803 CA GLY A 64 -13.582 16.205 -1.631 1.00 0.00 C ATOM 804 C GLY A 64 -12.529 17.217 -2.088 1.00 0.00 C ATOM 805 O GLY A 64 -11.899 17.036 -3.129 1.00 0.00 O ATOM 0 H GLY A 64 -12.999 14.348 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.483 16.314 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.864 16.409 -0.598 1.00 0.00 H new ATOM 809 N GLY A 65 -12.370 18.260 -1.287 1.00 0.00 N ATOM 810 CA GLY A 65 -11.405 19.301 -1.596 1.00 0.00 C ATOM 811 C GLY A 65 -11.577 20.503 -0.664 1.00 0.00 C ATOM 812 O GLY A 65 -12.622 20.660 -0.035 1.00 0.00 O ATOM 0 H GLY A 65 -12.894 18.407 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.394 18.904 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.527 19.619 -2.631 1.00 0.00 H new ATOM 816 N LYS A 66 -10.535 21.319 -0.606 1.00 0.00 N ATOM 817 CA LYS A 66 -10.557 22.501 0.239 1.00 0.00 C ATOM 818 C LYS A 66 -11.710 23.409 -0.193 1.00 0.00 C ATOM 819 O LYS A 66 -12.184 23.321 -1.325 1.00 0.00 O ATOM 820 CB LYS A 66 -9.192 23.193 0.228 1.00 0.00 C ATOM 821 CG LYS A 66 -8.247 22.557 1.249 1.00 0.00 C ATOM 822 CD LYS A 66 -8.299 23.303 2.584 1.00 0.00 C ATOM 823 CE LYS A 66 -8.492 22.330 3.749 1.00 0.00 C ATOM 824 NZ LYS A 66 -7.630 22.710 4.890 1.00 0.00 N ATOM 0 H LYS A 66 -9.670 21.185 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.740 22.224 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.755 23.127 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.316 24.253 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.520 21.513 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.228 22.567 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.377 23.867 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.115 24.025 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.537 22.328 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.253 21.316 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.773 22.039 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.633 22.689 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.877 23.669 5.207 1.00 0.00 H new ATOM 838 N ASP A 67 -12.128 24.261 0.731 1.00 0.00 N ATOM 839 CA ASP A 67 -13.217 25.185 0.461 1.00 0.00 C ATOM 840 C ASP A 67 -12.643 26.508 -0.049 1.00 0.00 C ATOM 841 O ASP A 67 -13.004 26.971 -1.130 1.00 0.00 O ATOM 842 CB ASP A 67 -14.021 25.476 1.729 1.00 0.00 C ATOM 843 CG ASP A 67 -13.182 25.790 2.969 1.00 0.00 C ATOM 844 OD1 ASP A 67 -12.387 24.906 3.355 1.00 0.00 O ATOM 845 OD2 ASP A 67 -13.354 26.906 3.503 1.00 0.00 O ATOM 0 H ASP A 67 -11.732 24.331 1.668 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.870 24.728 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.685 26.319 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.654 24.615 1.945 1.00 0.00 H new ATOM 850 N PHE A 68 -11.758 27.081 0.754 1.00 0.00 N ATOM 851 CA PHE A 68 -11.130 28.342 0.398 1.00 0.00 C ATOM 852 C PHE A 68 -10.054 28.725 1.416 1.00 0.00 C ATOM 853 O PHE A 68 -10.181 28.424 2.602 1.00 0.00 O ATOM 854 CB PHE A 68 -12.228 29.407 0.409 1.00 0.00 C ATOM 855 CG PHE A 68 -12.571 29.934 1.804 1.00 0.00 C ATOM 856 CD1 PHE A 68 -11.807 30.906 2.370 1.00 0.00 C ATOM 857 CD2 PHE A 68 -13.639 29.429 2.477 1.00 0.00 C ATOM 858 CE1 PHE A 68 -12.125 31.395 3.665 1.00 0.00 C ATOM 859 CE2 PHE A 68 -13.957 29.918 3.772 1.00 0.00 C ATOM 860 CZ PHE A 68 -13.193 30.891 4.338 1.00 0.00 C ATOM 0 H PHE A 68 -11.461 26.695 1.650 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.654 28.258 -0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -11.915 30.243 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.128 28.990 -0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -10.958 31.306 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.245 28.657 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -11.518 32.167 4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -14.805 29.517 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.435 31.263 5.323 1.00 0.00 H new ATOM 870 N VAL A 69 -9.019 29.384 0.916 1.00 0.00 N ATOM 871 CA VAL A 69 -7.922 29.812 1.767 1.00 0.00 C ATOM 872 C VAL A 69 -7.548 31.255 1.422 1.00 0.00 C ATOM 873 O VAL A 69 -7.969 31.780 0.393 1.00 0.00 O ATOM 874 CB VAL A 69 -6.747 28.841 1.634 1.00 0.00 C ATOM 875 CG1 VAL A 69 -7.131 27.445 2.130 1.00 0.00 C ATOM 876 CG2 VAL A 69 -6.238 28.791 0.193 1.00 0.00 C ATOM 0 H VAL A 69 -8.917 29.632 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.222 29.796 2.815 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.936 29.208 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.278 26.774 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.423 27.499 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.966 27.066 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.403 28.094 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.041 28.460 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.907 29.784 -0.110 1.00 0.00 H new ATOM 886 N VAL A 70 -6.760 31.855 2.303 1.00 0.00 N ATOM 887 CA VAL A 70 -6.323 33.226 2.104 1.00 0.00 C ATOM 888 C VAL A 70 -4.866 33.231 1.638 1.00 0.00 C ATOM 889 O VAL A 70 -4.037 32.497 2.174 1.00 0.00 O ATOM 890 CB VAL A 70 -6.545 34.036 3.384 1.00 0.00 C ATOM 891 CG1 VAL A 70 -5.902 35.420 3.274 1.00 0.00 C ATOM 892 CG2 VAL A 70 -8.035 34.148 3.711 1.00 0.00 C ATOM 0 H VAL A 70 -6.413 31.416 3.156 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.914 33.706 1.324 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.062 33.506 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.074 35.975 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.830 35.311 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.344 35.961 2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.164 34.728 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.551 34.645 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.452 33.151 3.852 1.00 0.00 H new ATOM 902 N GLN A 71 -4.599 34.067 0.646 1.00 0.00 N ATOM 903 CA GLN A 71 -3.256 34.177 0.101 1.00 0.00 C ATOM 904 C GLN A 71 -2.536 35.385 0.705 1.00 0.00 C ATOM 905 O GLN A 71 -3.148 36.192 1.403 1.00 0.00 O ATOM 906 CB GLN A 71 -3.289 34.265 -1.426 1.00 0.00 C ATOM 907 CG GLN A 71 -2.114 33.505 -2.044 1.00 0.00 C ATOM 908 CD GLN A 71 -1.183 34.455 -2.800 1.00 0.00 C ATOM 909 OE1 GLN A 71 -0.935 35.577 -2.392 1.00 0.00 O ATOM 910 NE2 GLN A 71 -0.683 33.944 -3.922 1.00 0.00 N ATOM 0 H GLN A 71 -5.289 34.675 0.205 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.702 33.277 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.228 33.855 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.254 35.310 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.557 32.991 -1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.489 32.740 -2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.932 32.997 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.051 34.500 -4.498 1.00 0.00 H new ATOM 919 N HIS A 72 -1.246 35.471 0.414 1.00 0.00 N ATOM 920 CA HIS A 72 -0.437 36.566 0.919 1.00 0.00 C ATOM 921 C HIS A 72 0.946 36.526 0.266 1.00 0.00 C ATOM 922 O HIS A 72 1.336 37.462 -0.431 1.00 0.00 O ATOM 923 CB HIS A 72 -0.372 36.534 2.447 1.00 0.00 C ATOM 924 CG HIS A 72 0.735 37.378 3.033 1.00 0.00 C ATOM 925 ND1 HIS A 72 2.032 36.917 3.179 1.00 0.00 N ATOM 926 CD2 HIS A 72 0.726 38.658 3.505 1.00 0.00 C ATOM 927 CE1 HIS A 72 2.761 37.883 3.718 1.00 0.00 C ATOM 928 NE2 HIS A 72 1.950 38.961 3.919 1.00 0.00 N ATOM 0 H HIS A 72 -0.742 34.800 -0.165 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.899 37.517 0.653 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.326 36.875 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.240 35.502 2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.132 39.314 3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.813 37.827 3.956 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.237 39.853 4.321 1.00 0.00 H new ATOM 936 N LEU A 73 1.651 35.432 0.514 1.00 0.00 N ATOM 937 CA LEU A 73 2.983 35.257 -0.041 1.00 0.00 C ATOM 938 C LEU A 73 2.968 35.642 -1.521 1.00 0.00 C ATOM 939 O LEU A 73 1.930 35.563 -2.177 1.00 0.00 O ATOM 940 CB LEU A 73 3.490 33.837 0.220 1.00 0.00 C ATOM 941 CG LEU A 73 4.931 33.721 0.719 1.00 0.00 C ATOM 942 CD1 LEU A 73 4.969 33.355 2.204 1.00 0.00 C ATOM 943 CD2 LEU A 73 5.729 32.734 -0.135 1.00 0.00 C ATOM 0 H LEU A 73 1.325 34.657 1.092 1.00 0.00 H new ATOM 0 HA LEU A 73 3.692 35.920 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.834 33.367 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.399 33.265 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 73 5.408 34.696 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.005 33.279 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.460 34.126 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.469 32.399 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.750 32.670 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.262 31.750 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.744 33.077 -1.169 1.00 0.00 H new ATOM 955 N LYS A 74 4.131 36.052 -2.005 1.00 0.00 N ATOM 956 CA LYS A 74 4.265 36.450 -3.396 1.00 0.00 C ATOM 957 C LYS A 74 5.131 35.426 -4.134 1.00 0.00 C ATOM 958 O LYS A 74 5.684 34.517 -3.518 1.00 0.00 O ATOM 959 CB LYS A 74 4.790 37.884 -3.495 1.00 0.00 C ATOM 960 CG LYS A 74 6.244 37.969 -3.028 1.00 0.00 C ATOM 961 CD LYS A 74 6.996 39.072 -3.775 1.00 0.00 C ATOM 962 CE LYS A 74 8.005 39.766 -2.858 1.00 0.00 C ATOM 963 NZ LYS A 74 9.034 40.469 -3.657 1.00 0.00 N ATOM 0 H LYS A 74 4.990 36.117 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 74 3.291 36.457 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.714 38.232 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.170 38.545 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.275 38.165 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.739 37.012 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.513 38.646 -4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.286 39.804 -4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.489 40.477 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.480 39.031 -2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.711 40.935 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.538 39.783 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.578 41.184 -4.259 1.00 0.00 H new ATOM 977 N TRP A 75 5.220 35.609 -5.443 1.00 0.00 N ATOM 978 CA TRP A 75 6.009 34.713 -6.271 1.00 0.00 C ATOM 979 C TRP A 75 6.465 35.490 -7.508 1.00 0.00 C ATOM 980 O TRP A 75 5.895 36.529 -7.837 1.00 0.00 O ATOM 981 CB TRP A 75 5.219 33.449 -6.617 1.00 0.00 C ATOM 982 CG TRP A 75 5.479 32.274 -5.672 1.00 0.00 C ATOM 983 CD1 TRP A 75 6.631 31.621 -5.466 1.00 0.00 C ATOM 984 CD2 TRP A 75 4.516 31.636 -4.808 1.00 0.00 C ATOM 985 NE1 TRP A 75 6.480 30.612 -4.536 1.00 0.00 N ATOM 986 CE2 TRP A 75 5.153 30.622 -4.123 1.00 0.00 C ATOM 987 CE3 TRP A 75 3.150 31.907 -4.611 1.00 0.00 C ATOM 988 CZ2 TRP A 75 4.505 29.798 -3.196 1.00 0.00 C ATOM 989 CZ3 TRP A 75 2.516 31.074 -3.682 1.00 0.00 C ATOM 990 CH2 TRP A 75 3.144 30.049 -2.984 1.00 0.00 C ATOM 0 H TRP A 75 4.759 36.364 -5.951 1.00 0.00 H new ATOM 0 HA TRP A 75 6.891 34.367 -5.733 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.155 33.683 -6.604 1.00 0.00 H new ATOM 0 HB3 TRP A 75 5.466 33.145 -7.634 1.00 0.00 H new ATOM 0 HD1 TRP A 75 7.560 31.855 -5.965 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.208 29.976 -4.212 1.00 0.00 H new ATOM 0 HE3 TRP A 75 2.631 32.696 -5.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 5.027 29.011 -2.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 1.465 31.239 -3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 75 2.585 29.449 -2.281 1.00 0.00 H new ATOM 1001 N THR A 76 7.488 34.956 -8.159 1.00 0.00 N ATOM 1002 CA THR A 76 8.027 35.587 -9.352 1.00 0.00 C ATOM 1003 C THR A 76 7.547 34.854 -10.606 1.00 0.00 C ATOM 1004 O THR A 76 7.076 33.720 -10.525 1.00 0.00 O ATOM 1005 CB THR A 76 9.550 35.629 -9.218 1.00 0.00 C ATOM 1006 OG1 THR A 76 9.977 36.392 -10.343 1.00 0.00 O ATOM 1007 CG2 THR A 76 10.195 34.258 -9.432 1.00 0.00 C ATOM 0 H THR A 76 7.958 34.094 -7.883 1.00 0.00 H new ATOM 0 HA THR A 76 7.667 36.611 -9.455 1.00 0.00 H new ATOM 0 HB THR A 76 9.817 36.006 -8.231 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.954 36.470 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 76 11.276 34.344 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.812 33.556 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.956 33.896 -10.432 1.00 0.00 H new ATOM 1015 N ASP A 77 7.683 35.530 -11.737 1.00 0.00 N ATOM 1016 CA ASP A 77 7.270 34.957 -13.006 1.00 0.00 C ATOM 1017 C ASP A 77 8.509 34.547 -13.804 1.00 0.00 C ATOM 1018 O ASP A 77 9.552 35.193 -13.713 1.00 0.00 O ATOM 1019 CB ASP A 77 6.486 35.972 -13.840 1.00 0.00 C ATOM 1020 CG ASP A 77 5.126 36.371 -13.263 1.00 0.00 C ATOM 1021 OD1 ASP A 77 5.116 36.831 -12.101 1.00 0.00 O ATOM 1022 OD2 ASP A 77 4.128 36.207 -13.997 1.00 0.00 O ATOM 0 H ASP A 77 8.074 36.470 -11.801 1.00 0.00 H new ATOM 0 HA ASP A 77 6.636 34.096 -12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.092 36.870 -13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.334 35.560 -14.837 1.00 0.00 H new ATOM 1027 N PRO A 78 8.351 33.447 -14.588 1.00 0.00 N ATOM 1028 CA PRO A 78 9.444 32.943 -15.401 1.00 0.00 C ATOM 1029 C PRO A 78 9.668 33.828 -16.629 1.00 0.00 C ATOM 1030 O PRO A 78 8.991 34.841 -16.800 1.00 0.00 O ATOM 1031 CB PRO A 78 9.046 31.521 -15.759 1.00 0.00 C ATOM 1032 CG PRO A 78 7.545 31.438 -15.528 1.00 0.00 C ATOM 1033 CD PRO A 78 7.130 32.657 -14.721 1.00 0.00 C ATOM 0 HA PRO A 78 10.399 32.955 -14.875 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.295 31.295 -16.796 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.577 30.799 -15.139 1.00 0.00 H new ATOM 0 HG2 PRO A 78 7.013 31.411 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.291 30.522 -14.994 1.00 0.00 H new ATOM 0 HD2 PRO A 78 6.347 33.220 -15.229 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.735 32.371 -13.746 1.00 0.00 H new ATOM 1041 N SER A 79 10.621 33.414 -17.451 1.00 0.00 N ATOM 1042 CA SER A 79 10.942 34.157 -18.658 1.00 0.00 C ATOM 1043 C SER A 79 10.273 33.504 -19.869 1.00 0.00 C ATOM 1044 O SER A 79 10.107 32.285 -19.908 1.00 0.00 O ATOM 1045 CB SER A 79 12.455 34.239 -18.868 1.00 0.00 C ATOM 1046 OG SER A 79 12.849 35.483 -19.440 1.00 0.00 O ATOM 0 H SER A 79 11.181 32.574 -17.305 1.00 0.00 H new ATOM 0 HA SER A 79 10.562 35.172 -18.545 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.961 34.103 -17.912 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.775 33.424 -19.517 1.00 0.00 H new ATOM 0 HG SER A 79 13.822 35.496 -19.556 1.00 0.00 H new ATOM 1052 N GLY A 80 9.907 34.342 -20.827 1.00 0.00 N ATOM 1053 CA GLY A 80 9.260 33.861 -22.036 1.00 0.00 C ATOM 1054 C GLY A 80 10.290 33.335 -23.037 1.00 0.00 C ATOM 1055 O GLY A 80 11.473 33.659 -22.944 1.00 0.00 O ATOM 0 H GLY A 80 10.046 35.352 -20.791 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.555 33.069 -21.785 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.685 34.668 -22.491 1.00 0.00 H new ATOM 1059 N PRO A 81 9.791 32.510 -23.996 1.00 0.00 N ATOM 1060 CA PRO A 81 10.654 31.936 -25.014 1.00 0.00 C ATOM 1061 C PRO A 81 11.036 32.982 -26.063 1.00 0.00 C ATOM 1062 O PRO A 81 10.651 34.146 -25.954 1.00 0.00 O ATOM 1063 CB PRO A 81 9.862 30.776 -25.593 1.00 0.00 C ATOM 1064 CG PRO A 81 8.413 31.027 -25.209 1.00 0.00 C ATOM 1065 CD PRO A 81 8.395 32.104 -24.137 1.00 0.00 C ATOM 0 HA PRO A 81 11.606 31.589 -24.611 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.976 30.727 -26.676 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.213 29.825 -25.192 1.00 0.00 H new ATOM 0 HG2 PRO A 81 7.837 31.344 -26.078 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.952 30.111 -24.838 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.766 32.944 -24.430 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.997 31.721 -23.197 1.00 0.00 H new ATOM 1073 N SER A 82 11.788 32.531 -27.056 1.00 0.00 N ATOM 1074 CA SER A 82 12.225 33.413 -28.124 1.00 0.00 C ATOM 1075 C SER A 82 12.084 32.709 -29.476 1.00 0.00 C ATOM 1076 O SER A 82 11.814 31.510 -29.530 1.00 0.00 O ATOM 1077 CB SER A 82 13.672 33.863 -27.909 1.00 0.00 C ATOM 1078 OG SER A 82 14.607 32.891 -28.367 1.00 0.00 O ATOM 0 H SER A 82 12.106 31.566 -27.143 1.00 0.00 H new ATOM 0 HA SER A 82 11.591 34.300 -28.116 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.841 34.804 -28.433 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.838 34.055 -26.849 1.00 0.00 H new ATOM 0 HG SER A 82 15.519 33.216 -28.214 1.00 0.00 H new ATOM 1084 N SER A 83 12.273 33.485 -30.533 1.00 0.00 N ATOM 1085 CA SER A 83 12.170 32.951 -31.881 1.00 0.00 C ATOM 1086 C SER A 83 10.733 32.502 -32.157 1.00 0.00 C ATOM 1087 O SER A 83 9.976 32.227 -31.228 1.00 0.00 O ATOM 1088 CB SER A 83 13.139 31.785 -32.087 1.00 0.00 C ATOM 1089 OG SER A 83 13.823 31.874 -33.334 1.00 0.00 O ATOM 0 H SER A 83 12.497 34.479 -30.484 1.00 0.00 H new ATOM 0 HA SER A 83 12.439 33.740 -32.583 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.866 31.770 -31.275 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.590 30.845 -32.041 1.00 0.00 H new ATOM 0 HG SER A 83 14.433 31.113 -33.427 1.00 0.00 H new ATOM 1095 N GLY A 84 10.403 32.441 -33.438 1.00 0.00 N ATOM 1096 CA GLY A 84 9.071 32.030 -33.849 1.00 0.00 C ATOM 1097 C GLY A 84 8.640 32.758 -35.123 1.00 0.00 C ATOM 1098 O GLY A 84 7.551 32.519 -35.642 1.00 0.00 O ATOM 0 H GLY A 84 11.035 32.669 -34.206 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.055 30.953 -34.018 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.360 32.237 -33.049 1.00 0.00 H new TER 1102 GLY A 84