USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 54 ASN : amide:sc= -0.298 X(o=-0.38,f=-0.53) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0778 X(o=-0.38,f=-0.3) USER MOD Set 2.1: A 50 GLN : amide:sc= -7.02! C(o=-6.6!,f=-8.7!) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.442 K(o=-6.6,f=-8.7!) USER MOD Set 3.1: A 21 SER OG : rot 137:sc= -0.516! USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 SER N :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 1 SER OG : rot 180:sc= 0.357 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 8 ASN : amide:sc= 0.712 K(o=0.71,f=-0.14) USER MOD Single : A 9 GLN : amide:sc= -3.88! K(o=-3.9!,f=-2.6) USER MOD Single : A 11 SER OG : rot -49:sc= 1.32 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.835 USER MOD Single : A 34 SER OG : rot -38:sc= 0.447 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00382 USER MOD Single : A 39 SER OG : rot 176:sc= 0.486 USER MOD Single : A 42 TYR OH : rot 37:sc= 0.307 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.997 K(o=-1,f=0.022) USER MOD Single : A 67 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 69 ASN : amide:sc= -7.62! C(o=-7.6!,f=-4.1!) USER MOD Single : A 74 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.12) USER MOD Single : A 75 SER OG : rot 179:sc= 1.19 USER MOD Single : A 81 SER OG : rot 180:sc= -0.149 USER MOD Single : A 82 HIS : no HE2:sc= 0.682 K(o=0.68,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 37.843 -5.419 -3.605 1.00 0.00 N ATOM 2 CA SER A 1 36.567 -5.590 -2.876 1.00 0.00 C ATOM 3 C SER A 1 35.567 -4.537 -3.353 1.00 0.00 C ATOM 4 O SER A 1 35.756 -3.959 -4.419 1.00 0.00 O ATOM 5 CB SER A 1 36.815 -5.476 -1.365 1.00 0.00 C ATOM 6 OG SER A 1 35.653 -5.817 -0.621 1.00 0.00 O ATOM 0 H1 SER A 1 38.526 -6.134 -3.282 1.00 0.00 H new ATOM 0 H2 SER A 1 37.678 -5.533 -4.625 1.00 0.00 H new ATOM 0 H3 SER A 1 38.224 -4.469 -3.420 1.00 0.00 H new ATOM 0 HA SER A 1 36.152 -6.577 -3.077 1.00 0.00 H new ATOM 0 HB2 SER A 1 37.637 -6.132 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 1 37.120 -4.458 -1.121 1.00 0.00 H new ATOM 0 HG SER A 1 35.843 -5.737 0.337 1.00 0.00 H new ATOM 14 N ALA A 2 34.516 -4.296 -2.569 1.00 0.00 N ATOM 15 CA ALA A 2 33.479 -3.333 -2.939 1.00 0.00 C ATOM 16 C ALA A 2 34.054 -1.932 -3.101 1.00 0.00 C ATOM 17 O ALA A 2 33.546 -1.120 -3.871 1.00 0.00 O ATOM 18 CB ALA A 2 32.374 -3.333 -1.899 1.00 0.00 C ATOM 0 H ALA A 2 34.360 -4.756 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 2 33.065 -3.635 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 2 31.607 -2.613 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 2 31.933 -4.328 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 2 32.788 -3.058 -0.929 1.00 0.00 H new ATOM 24 N ARG A 3 35.121 -1.665 -2.373 1.00 0.00 N ATOM 25 CA ARG A 3 35.822 -0.394 -2.484 1.00 0.00 C ATOM 26 C ARG A 3 37.314 -0.587 -2.261 1.00 0.00 C ATOM 27 O ARG A 3 38.134 0.008 -2.956 1.00 0.00 O ATOM 28 CB ARG A 3 35.268 0.637 -1.492 1.00 0.00 C ATOM 29 CG ARG A 3 35.951 1.995 -1.591 1.00 0.00 C ATOM 30 CD ARG A 3 35.902 2.530 -3.014 1.00 0.00 C ATOM 31 NE ARG A 3 36.800 3.663 -3.209 1.00 0.00 N ATOM 32 CZ ARG A 3 37.569 3.825 -4.283 1.00 0.00 C ATOM 33 NH1 ARG A 3 37.578 2.905 -5.241 1.00 0.00 N ATOM 34 NH2 ARG A 3 38.340 4.895 -4.382 1.00 0.00 N ATOM 0 H ARG A 3 35.525 -2.312 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 3 35.661 -0.013 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 3 34.199 0.762 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 3 35.382 0.253 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 3 35.465 2.700 -0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 3 36.988 1.908 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 3 36.169 1.734 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 3 34.882 2.832 -3.252 1.00 0.00 H new ATOM 0 HE ARG A 3 36.841 4.374 -2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 3 36.995 2.073 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 3 38.168 3.031 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 3 38.344 5.592 -3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 3 38.931 5.023 -5.203 1.00 0.00 H new ATOM 48 N THR A 4 37.661 -1.425 -1.294 1.00 0.00 N ATOM 49 CA THR A 4 39.053 -1.676 -0.974 1.00 0.00 C ATOM 50 C THR A 4 39.780 -2.402 -2.106 1.00 0.00 C ATOM 51 O THR A 4 39.205 -3.249 -2.801 1.00 0.00 O ATOM 52 CB THR A 4 39.180 -2.472 0.335 1.00 0.00 C ATOM 53 OG1 THR A 4 38.066 -3.364 0.470 1.00 0.00 O ATOM 54 CG2 THR A 4 39.236 -1.539 1.535 1.00 0.00 C ATOM 0 H THR A 4 36.995 -1.941 -0.719 1.00 0.00 H new ATOM 0 HA THR A 4 39.529 -0.704 -0.844 1.00 0.00 H new ATOM 0 HB THR A 4 40.107 -3.045 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 4 38.152 -3.871 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 4 39.326 -2.126 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 4 40.098 -0.878 1.442 1.00 0.00 H new ATOM 0 HG23 THR A 4 38.324 -0.943 1.575 1.00 0.00 H new ATOM 62 N CYS A 5 41.042 -2.039 -2.271 1.00 0.00 N ATOM 63 CA CYS A 5 41.906 -2.561 -3.317 1.00 0.00 C ATOM 64 C CYS A 5 42.113 -4.073 -3.178 1.00 0.00 C ATOM 65 O CYS A 5 41.863 -4.645 -2.116 1.00 0.00 O ATOM 66 CB CYS A 5 43.242 -1.812 -3.270 1.00 0.00 C ATOM 67 SG CYS A 5 43.087 -0.059 -3.721 1.00 0.00 S ATOM 0 H CYS A 5 41.504 -1.358 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 5 41.431 -2.401 -4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 5 43.660 -1.888 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 5 43.947 -2.295 -3.946 1.00 0.00 H new ATOM 72 N PRO A 6 42.529 -4.745 -4.265 1.00 0.00 N ATOM 73 CA PRO A 6 42.845 -6.181 -4.244 1.00 0.00 C ATOM 74 C PRO A 6 43.944 -6.504 -3.230 1.00 0.00 C ATOM 75 O PRO A 6 44.738 -5.633 -2.887 1.00 0.00 O ATOM 76 CB PRO A 6 43.332 -6.462 -5.669 1.00 0.00 C ATOM 77 CG PRO A 6 42.770 -5.358 -6.498 1.00 0.00 C ATOM 78 CD PRO A 6 42.717 -4.159 -5.603 1.00 0.00 C ATOM 0 HA PRO A 6 41.988 -6.788 -3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 6 44.421 -6.476 -5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.985 -7.434 -6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 6 43.395 -5.167 -7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 6 41.777 -5.614 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 6 43.634 -3.573 -5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 6 41.896 -3.493 -5.870 1.00 0.00 H new ATOM 86 N PRO A 7 44.019 -7.769 -2.766 1.00 0.00 N ATOM 87 CA PRO A 7 44.973 -8.202 -1.723 1.00 0.00 C ATOM 88 C PRO A 7 46.439 -7.993 -2.105 1.00 0.00 C ATOM 89 O PRO A 7 47.324 -8.080 -1.259 1.00 0.00 O ATOM 90 CB PRO A 7 44.683 -9.699 -1.562 1.00 0.00 C ATOM 91 CG PRO A 7 43.311 -9.886 -2.106 1.00 0.00 C ATOM 92 CD PRO A 7 43.169 -8.883 -3.212 1.00 0.00 C ATOM 0 HA PRO A 7 44.840 -7.617 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 7 45.409 -10.302 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 7 44.738 -10.001 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 7 43.173 -10.901 -2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 7 42.559 -9.725 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 7 43.503 -9.287 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 7 42.133 -8.572 -3.343 1.00 0.00 H new ATOM 100 N ASN A 8 46.694 -7.718 -3.379 1.00 0.00 N ATOM 101 CA ASN A 8 48.054 -7.463 -3.848 1.00 0.00 C ATOM 102 C ASN A 8 48.424 -6.004 -3.584 1.00 0.00 C ATOM 103 O ASN A 8 49.565 -5.585 -3.783 1.00 0.00 O ATOM 104 CB ASN A 8 48.162 -7.763 -5.346 1.00 0.00 C ATOM 105 CG ASN A 8 49.560 -8.177 -5.794 1.00 0.00 C ATOM 106 OD1 ASN A 8 49.706 -8.969 -6.718 1.00 0.00 O ATOM 107 ND2 ASN A 8 50.595 -7.645 -5.162 1.00 0.00 N ATOM 0 H ASN A 8 45.980 -7.666 -4.105 1.00 0.00 H new ATOM 0 HA ASN A 8 48.742 -8.114 -3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 8 47.460 -8.557 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 8 47.858 -6.879 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 8 51.545 -7.892 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 8 50.443 -6.988 -4.396 1.00 0.00 H new ATOM 114 N GLN A 9 47.444 -5.234 -3.143 1.00 0.00 N ATOM 115 CA GLN A 9 47.632 -3.824 -2.876 1.00 0.00 C ATOM 116 C GLN A 9 46.772 -3.392 -1.696 1.00 0.00 C ATOM 117 O GLN A 9 46.251 -4.224 -0.954 1.00 0.00 O ATOM 118 CB GLN A 9 47.320 -2.974 -4.121 1.00 0.00 C ATOM 119 CG GLN A 9 46.069 -3.397 -4.874 1.00 0.00 C ATOM 120 CD GLN A 9 46.383 -4.030 -6.219 1.00 0.00 C ATOM 121 OE1 GLN A 9 45.595 -3.952 -7.156 1.00 0.00 O ATOM 122 NE2 GLN A 9 47.544 -4.656 -6.327 1.00 0.00 N ATOM 0 H GLN A 9 46.498 -5.571 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 9 48.679 -3.663 -2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 9 47.212 -1.933 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 9 48.171 -3.021 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 9 45.505 -4.105 -4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 9 45.429 -2.528 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 9 48.175 -4.702 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 9 47.808 -5.093 -7.210 1.00 0.00 H new ATOM 131 N PHE A 10 46.637 -2.095 -1.538 1.00 0.00 N ATOM 132 CA PHE A 10 45.994 -1.503 -0.380 1.00 0.00 C ATOM 133 C PHE A 10 45.279 -0.219 -0.797 1.00 0.00 C ATOM 134 O PHE A 10 45.581 0.352 -1.841 1.00 0.00 O ATOM 135 CB PHE A 10 47.070 -1.239 0.681 1.00 0.00 C ATOM 136 CG PHE A 10 46.630 -0.393 1.841 1.00 0.00 C ATOM 137 CD1 PHE A 10 45.912 -0.938 2.893 1.00 0.00 C ATOM 138 CD2 PHE A 10 46.944 0.952 1.874 1.00 0.00 C ATOM 139 CE1 PHE A 10 45.516 -0.147 3.959 1.00 0.00 C ATOM 140 CE2 PHE A 10 46.553 1.741 2.930 1.00 0.00 C ATOM 141 CZ PHE A 10 45.838 1.196 3.976 1.00 0.00 C ATOM 0 H PHE A 10 46.973 -1.411 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 10 45.244 -2.173 0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 10 47.423 -2.197 1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 10 47.920 -0.755 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 10 45.659 -1.988 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 10 47.504 1.389 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 10 44.957 -0.580 4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 10 46.807 2.791 2.940 1.00 0.00 H new ATOM 0 HZ PHE A 10 45.531 1.817 4.805 1.00 0.00 H new ATOM 151 N SER A 11 44.339 0.238 0.008 1.00 0.00 N ATOM 152 CA SER A 11 43.561 1.404 -0.329 1.00 0.00 C ATOM 153 C SER A 11 43.955 2.587 0.515 1.00 0.00 C ATOM 154 O SER A 11 43.651 2.648 1.704 1.00 0.00 O ATOM 155 CB SER A 11 42.072 1.136 -0.149 1.00 0.00 C ATOM 156 OG SER A 11 41.625 0.167 -1.065 1.00 0.00 O ATOM 0 H SER A 11 44.098 -0.187 0.904 1.00 0.00 H new ATOM 0 HA SER A 11 43.763 1.632 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.879 0.797 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 11 41.512 2.061 -0.288 1.00 0.00 H new ATOM 0 HG SER A 11 41.940 0.397 -1.964 1.00 0.00 H new ATOM 162 N CYS A 12 44.665 3.509 -0.096 1.00 0.00 N ATOM 163 CA CYS A 12 44.906 4.784 0.538 1.00 0.00 C ATOM 164 C CYS A 12 43.572 5.489 0.751 1.00 0.00 C ATOM 165 O CYS A 12 42.725 5.490 -0.146 1.00 0.00 O ATOM 166 CB CYS A 12 45.854 5.651 -0.289 1.00 0.00 C ATOM 167 SG CYS A 12 45.842 7.416 0.183 1.00 0.00 S ATOM 0 H CYS A 12 45.081 3.402 -1.021 1.00 0.00 H new ATOM 0 HA CYS A 12 45.389 4.615 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 12 46.868 5.264 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 12 45.585 5.564 -1.342 1.00 0.00 H new ATOM 172 N ALA A 13 43.433 6.105 1.923 1.00 0.00 N ATOM 173 CA ALA A 13 42.162 6.625 2.445 1.00 0.00 C ATOM 174 C ALA A 13 41.131 7.007 1.380 1.00 0.00 C ATOM 175 O ALA A 13 41.267 8.021 0.685 1.00 0.00 O ATOM 176 CB ALA A 13 42.443 7.824 3.333 1.00 0.00 C ATOM 0 H ALA A 13 44.218 6.262 2.555 1.00 0.00 H new ATOM 0 HA ALA A 13 41.711 5.805 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 13 41.504 8.215 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 13 43.083 7.521 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 13 42.944 8.598 2.752 1.00 0.00 H new ATOM 182 N SER A 14 40.131 6.129 1.244 1.00 0.00 N ATOM 183 CA SER A 14 38.891 6.395 0.503 1.00 0.00 C ATOM 184 C SER A 14 39.053 6.390 -1.024 1.00 0.00 C ATOM 185 O SER A 14 38.241 5.790 -1.734 1.00 0.00 O ATOM 186 CB SER A 14 38.281 7.723 0.956 1.00 0.00 C ATOM 187 OG SER A 14 38.019 7.714 2.350 1.00 0.00 O ATOM 0 H SER A 14 40.161 5.195 1.654 1.00 0.00 H new ATOM 0 HA SER A 14 38.223 5.566 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 14 38.961 8.540 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 14 37.356 7.907 0.410 1.00 0.00 H new ATOM 0 HG SER A 14 37.631 8.574 2.616 1.00 0.00 H new ATOM 193 N GLY A 15 40.076 7.054 -1.536 1.00 0.00 N ATOM 194 CA GLY A 15 40.143 7.285 -2.970 1.00 0.00 C ATOM 195 C GLY A 15 41.236 6.521 -3.694 1.00 0.00 C ATOM 196 O GLY A 15 41.046 6.103 -4.837 1.00 0.00 O ATOM 0 H GLY A 15 40.854 7.434 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.182 7.019 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.289 8.351 -3.144 1.00 0.00 H new ATOM 200 N ARG A 16 42.375 6.337 -3.053 1.00 0.00 N ATOM 201 CA ARG A 16 43.553 5.855 -3.763 1.00 0.00 C ATOM 202 C ARG A 16 43.675 4.333 -3.701 1.00 0.00 C ATOM 203 O ARG A 16 42.965 3.663 -2.949 1.00 0.00 O ATOM 204 CB ARG A 16 44.828 6.516 -3.229 1.00 0.00 C ATOM 205 CG ARG A 16 44.849 8.041 -3.331 1.00 0.00 C ATOM 206 CD ARG A 16 44.027 8.702 -2.233 1.00 0.00 C ATOM 207 NE ARG A 16 44.054 10.162 -2.319 1.00 0.00 N ATOM 208 CZ ARG A 16 44.404 10.958 -1.306 1.00 0.00 C ATOM 209 NH1 ARG A 16 44.837 10.434 -0.164 1.00 0.00 N ATOM 210 NH2 ARG A 16 44.337 12.277 -1.441 1.00 0.00 N ATOM 0 H ARG A 16 42.513 6.510 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 16 43.429 6.134 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 16 44.957 6.234 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 16 45.683 6.117 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 16 45.879 8.393 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 16 44.462 8.344 -4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 16 42.995 8.356 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 16 44.408 8.391 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 16 43.790 10.597 -3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 16 44.903 9.421 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 16 45.104 11.044 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 16 44.018 12.684 -2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 16 44.605 12.883 -0.666 1.00 0.00 H new ATOM 224 N CYS A 17 44.606 3.807 -4.488 1.00 0.00 N ATOM 225 CA CYS A 17 44.856 2.377 -4.569 1.00 0.00 C ATOM 226 C CYS A 17 46.363 2.160 -4.648 1.00 0.00 C ATOM 227 O CYS A 17 46.957 2.269 -5.720 1.00 0.00 O ATOM 228 CB CYS A 17 44.181 1.785 -5.808 1.00 0.00 C ATOM 229 SG CYS A 17 43.781 0.024 -5.624 1.00 0.00 S ATOM 0 H CYS A 17 45.211 4.365 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 17 44.446 1.881 -3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.266 2.340 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 17 44.836 1.915 -6.669 1.00 0.00 H new ATOM 234 N ILE A 18 46.984 1.896 -3.510 1.00 0.00 N ATOM 235 CA ILE A 18 48.434 1.838 -3.433 1.00 0.00 C ATOM 236 C ILE A 18 48.887 0.401 -3.194 1.00 0.00 C ATOM 237 O ILE A 18 48.268 -0.319 -2.424 1.00 0.00 O ATOM 238 CB ILE A 18 48.959 2.770 -2.312 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.623 2.236 -0.925 1.00 0.00 C ATOM 240 CG2 ILE A 18 48.352 4.150 -2.445 1.00 0.00 C ATOM 241 CD1 ILE A 18 49.813 1.661 -0.198 1.00 0.00 C ATOM 0 H ILE A 18 46.506 1.718 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 18 48.849 2.182 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 18 50.042 2.815 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 18 48.197 3.042 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 18 47.856 1.467 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.731 4.792 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 18 48.620 4.574 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 18 47.267 4.079 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.501 1.300 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.227 0.834 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 18 50.572 2.433 -0.075 1.00 0.00 H new ATOM 253 N PRO A 19 49.941 -0.051 -3.878 1.00 0.00 N ATOM 254 CA PRO A 19 50.453 -1.417 -3.721 1.00 0.00 C ATOM 255 C PRO A 19 50.859 -1.729 -2.277 1.00 0.00 C ATOM 256 O PRO A 19 51.197 -0.836 -1.508 1.00 0.00 O ATOM 257 CB PRO A 19 51.667 -1.460 -4.656 1.00 0.00 C ATOM 258 CG PRO A 19 51.429 -0.362 -5.635 1.00 0.00 C ATOM 259 CD PRO A 19 50.707 0.713 -4.873 1.00 0.00 C ATOM 0 HA PRO A 19 49.697 -2.164 -3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 19 52.596 -1.306 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 51.748 -2.425 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 19 52.369 0.011 -6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 19 50.833 -0.712 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 19 51.400 1.410 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 19 50.056 1.300 -5.521 1.00 0.00 H new ATOM 267 N ILE A 20 50.810 -3.003 -1.920 1.00 0.00 N ATOM 268 CA ILE A 20 51.170 -3.453 -0.577 1.00 0.00 C ATOM 269 C ILE A 20 52.624 -3.111 -0.228 1.00 0.00 C ATOM 270 O ILE A 20 53.472 -2.995 -1.113 1.00 0.00 O ATOM 271 CB ILE A 20 50.913 -4.975 -0.459 1.00 0.00 C ATOM 272 CG1 ILE A 20 49.436 -5.244 -0.159 1.00 0.00 C ATOM 273 CG2 ILE A 20 51.794 -5.642 0.580 1.00 0.00 C ATOM 274 CD1 ILE A 20 48.975 -4.694 1.176 1.00 0.00 C ATOM 0 H ILE A 20 50.521 -3.754 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 20 50.544 -2.924 0.142 1.00 0.00 H new ATOM 0 HB ILE A 20 51.174 -5.415 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 20 48.828 -4.807 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 20 49.260 -6.320 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 20 51.569 -6.708 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 20 52.841 -5.502 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 20 51.606 -5.197 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 20 47.919 -4.923 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 20 49.557 -5.149 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 20 49.118 -3.613 1.193 1.00 0.00 H new ATOM 286 N SER A 21 52.871 -2.914 1.079 1.00 0.00 N ATOM 287 CA SER A 21 54.198 -2.606 1.631 1.00 0.00 C ATOM 288 C SER A 21 54.543 -1.138 1.466 1.00 0.00 C ATOM 289 O SER A 21 55.448 -0.626 2.114 1.00 0.00 O ATOM 290 CB SER A 21 55.282 -3.469 1.001 1.00 0.00 C ATOM 291 OG SER A 21 54.988 -4.836 1.170 1.00 0.00 O ATOM 0 H SER A 21 52.142 -2.966 1.790 1.00 0.00 H new ATOM 0 HA SER A 21 54.154 -2.833 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 21 55.367 -3.238 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 21 56.246 -3.240 1.455 1.00 0.00 H new ATOM 0 HG SER A 21 55.167 -5.315 0.334 1.00 0.00 H new ATOM 297 N TRP A 22 53.810 -0.480 0.593 1.00 0.00 N ATOM 298 CA TRP A 22 53.975 0.964 0.373 1.00 0.00 C ATOM 299 C TRP A 22 53.591 1.744 1.618 1.00 0.00 C ATOM 300 O TRP A 22 54.222 2.730 1.966 1.00 0.00 O ATOM 301 CB TRP A 22 53.124 1.452 -0.799 1.00 0.00 C ATOM 302 CG TRP A 22 53.675 1.130 -2.148 1.00 0.00 C ATOM 303 CD1 TRP A 22 54.127 -0.075 -2.589 1.00 0.00 C ATOM 304 CD2 TRP A 22 53.803 2.037 -3.245 1.00 0.00 C ATOM 305 NE1 TRP A 22 54.532 0.027 -3.896 1.00 0.00 N ATOM 306 CE2 TRP A 22 54.347 1.318 -4.320 1.00 0.00 C ATOM 307 CE3 TRP A 22 53.510 3.393 -3.418 1.00 0.00 C ATOM 308 CZ2 TRP A 22 54.604 1.908 -5.557 1.00 0.00 C ATOM 309 CZ3 TRP A 22 53.765 3.978 -4.642 1.00 0.00 C ATOM 310 CH2 TRP A 22 54.309 3.238 -5.698 1.00 0.00 C ATOM 0 H TRP A 22 53.088 -0.913 0.016 1.00 0.00 H new ATOM 0 HA TRP A 22 55.026 1.134 0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 22 52.129 1.015 -0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 22 53.005 2.533 -0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 22 54.162 -0.978 -1.998 1.00 0.00 H new ATOM 0 HE1 TRP A 22 54.909 -0.734 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.092 3.973 -2.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 55.020 1.337 -6.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 53.541 5.024 -4.787 1.00 0.00 H new ATOM 0 HH2 TRP A 22 54.500 3.725 -6.643 1.00 0.00 H new ATOM 321 N THR A 23 52.559 1.258 2.283 1.00 0.00 N ATOM 322 CA THR A 23 52.005 1.916 3.458 1.00 0.00 C ATOM 323 C THR A 23 53.052 2.078 4.555 1.00 0.00 C ATOM 324 O THR A 23 53.334 3.181 5.004 1.00 0.00 O ATOM 325 CB THR A 23 50.748 1.164 3.982 1.00 0.00 C ATOM 326 OG1 THR A 23 50.653 1.253 5.406 1.00 0.00 O ATOM 327 CG2 THR A 23 50.740 -0.306 3.561 1.00 0.00 C ATOM 0 H THR A 23 52.079 0.396 2.026 1.00 0.00 H new ATOM 0 HA THR A 23 51.693 2.916 3.157 1.00 0.00 H new ATOM 0 HB THR A 23 49.884 1.652 3.532 1.00 0.00 H new ATOM 0 HG1 THR A 23 49.854 0.774 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 23 49.844 -0.791 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.746 -0.373 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 23 51.624 -0.804 3.960 1.00 0.00 H new ATOM 335 N CYS A 24 53.615 0.980 4.987 1.00 0.00 N ATOM 336 CA CYS A 24 54.701 1.023 5.934 1.00 0.00 C ATOM 337 C CYS A 24 56.029 1.126 5.179 1.00 0.00 C ATOM 338 O CYS A 24 56.625 0.104 4.822 1.00 0.00 O ATOM 339 CB CYS A 24 54.696 -0.223 6.797 1.00 0.00 C ATOM 340 SG CYS A 24 53.105 -0.562 7.613 1.00 0.00 S ATOM 0 H CYS A 24 53.339 0.042 4.698 1.00 0.00 H new ATOM 0 HA CYS A 24 54.578 1.894 6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 24 54.964 -1.080 6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 24 55.469 -0.126 7.560 1.00 0.00 H new ATOM 345 N ASP A 25 56.466 2.349 4.915 1.00 0.00 N ATOM 346 CA ASP A 25 57.683 2.598 4.144 1.00 0.00 C ATOM 347 C ASP A 25 58.747 3.254 5.022 1.00 0.00 C ATOM 348 O ASP A 25 59.819 2.688 5.241 1.00 0.00 O ATOM 349 CB ASP A 25 57.365 3.482 2.936 1.00 0.00 C ATOM 350 CG ASP A 25 58.592 3.840 2.127 1.00 0.00 C ATOM 351 OD1 ASP A 25 59.345 2.915 1.742 1.00 0.00 O ATOM 352 OD2 ASP A 25 58.805 5.048 1.882 1.00 0.00 O ATOM 0 H ASP A 25 55.991 3.196 5.226 1.00 0.00 H new ATOM 0 HA ASP A 25 58.074 1.645 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.651 2.967 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 25 56.883 4.397 3.279 1.00 0.00 H new ATOM 357 N LEU A 26 58.424 4.437 5.537 1.00 0.00 N ATOM 358 CA LEU A 26 59.268 5.153 6.497 1.00 0.00 C ATOM 359 C LEU A 26 58.561 6.442 6.893 1.00 0.00 C ATOM 360 O LEU A 26 58.625 6.883 8.041 1.00 0.00 O ATOM 361 CB LEU A 26 60.665 5.470 5.929 1.00 0.00 C ATOM 362 CG LEU A 26 61.823 5.325 6.925 1.00 0.00 C ATOM 363 CD1 LEU A 26 63.143 5.665 6.254 1.00 0.00 C ATOM 364 CD2 LEU A 26 61.616 6.204 8.147 1.00 0.00 C ATOM 0 H LEU A 26 57.564 4.932 5.300 1.00 0.00 H new ATOM 0 HA LEU A 26 59.420 4.512 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.852 4.812 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 26 60.661 6.491 5.547 1.00 0.00 H new ATOM 0 HG LEU A 26 61.849 4.287 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 26 63.955 5.558 6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 63.309 4.989 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 26 63.113 6.693 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 62.454 6.077 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 26 61.554 7.248 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 26 60.691 5.918 8.648 1.00 0.00 H new ATOM 376 N ASP A 27 57.909 7.049 5.919 1.00 0.00 N ATOM 377 CA ASP A 27 57.041 8.192 6.167 1.00 0.00 C ATOM 378 C ASP A 27 55.674 7.889 5.562 1.00 0.00 C ATOM 379 O ASP A 27 55.558 6.965 4.760 1.00 0.00 O ATOM 380 CB ASP A 27 57.631 9.468 5.559 1.00 0.00 C ATOM 381 CG ASP A 27 57.227 10.723 6.315 1.00 0.00 C ATOM 382 OD1 ASP A 27 56.016 10.989 6.445 1.00 0.00 O ATOM 383 OD2 ASP A 27 58.131 11.445 6.790 1.00 0.00 O ATOM 0 H ASP A 27 57.963 6.769 4.940 1.00 0.00 H new ATOM 0 HA ASP A 27 56.946 8.359 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 27 58.718 9.390 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 27 57.307 9.554 4.522 1.00 0.00 H new ATOM 388 N ASP A 28 54.655 8.654 5.939 1.00 0.00 N ATOM 389 CA ASP A 28 53.276 8.352 5.533 1.00 0.00 C ATOM 390 C ASP A 28 53.121 8.411 4.025 1.00 0.00 C ATOM 391 O ASP A 28 53.419 9.433 3.399 1.00 0.00 O ATOM 392 CB ASP A 28 52.275 9.316 6.195 1.00 0.00 C ATOM 393 CG ASP A 28 50.849 9.171 5.658 1.00 0.00 C ATOM 394 OD1 ASP A 28 50.237 8.092 5.835 1.00 0.00 O ATOM 395 OD2 ASP A 28 50.322 10.144 5.079 1.00 0.00 O ATOM 0 H ASP A 28 54.751 9.485 6.522 1.00 0.00 H new ATOM 0 HA ASP A 28 53.059 7.338 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 28 52.270 9.141 7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 28 52.612 10.341 6.040 1.00 0.00 H new ATOM 400 N ASP A 29 52.689 7.305 3.442 1.00 0.00 N ATOM 401 CA ASP A 29 52.327 7.293 2.041 1.00 0.00 C ATOM 402 C ASP A 29 51.028 8.059 1.920 1.00 0.00 C ATOM 403 O ASP A 29 51.014 9.238 1.553 1.00 0.00 O ATOM 404 CB ASP A 29 52.175 5.854 1.536 1.00 0.00 C ATOM 405 CG ASP A 29 52.175 5.750 0.028 1.00 0.00 C ATOM 406 OD1 ASP A 29 53.276 5.639 -0.551 1.00 0.00 O ATOM 407 OD2 ASP A 29 51.075 5.757 -0.578 1.00 0.00 O ATOM 0 H ASP A 29 52.582 6.409 3.918 1.00 0.00 H new ATOM 0 HA ASP A 29 53.101 7.757 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 29 52.988 5.248 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 29 51.246 5.436 1.923 1.00 0.00 H new ATOM 412 N CYS A 30 49.939 7.376 2.215 1.00 0.00 N ATOM 413 CA CYS A 30 48.690 8.039 2.578 1.00 0.00 C ATOM 414 C CYS A 30 47.610 7.057 3.005 1.00 0.00 C ATOM 415 O CYS A 30 46.446 7.448 3.137 1.00 0.00 O ATOM 416 CB CYS A 30 48.159 8.910 1.457 1.00 0.00 C ATOM 417 SG CYS A 30 47.760 8.021 -0.091 1.00 0.00 S ATOM 0 H CYS A 30 49.889 6.357 2.212 1.00 0.00 H new ATOM 0 HA CYS A 30 48.937 8.672 3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 30 47.261 9.419 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 30 48.897 9.681 1.236 1.00 0.00 H new ATOM 422 N GLY A 31 47.997 5.807 3.252 1.00 0.00 N ATOM 423 CA GLY A 31 47.046 4.733 3.489 1.00 0.00 C ATOM 424 C GLY A 31 45.898 5.120 4.390 1.00 0.00 C ATOM 425 O GLY A 31 44.739 4.910 4.045 1.00 0.00 O ATOM 0 H GLY A 31 48.974 5.515 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.647 4.397 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 31 47.572 3.886 3.930 1.00 0.00 H new ATOM 429 N ASP A 32 46.211 5.696 5.533 1.00 0.00 N ATOM 430 CA ASP A 32 45.174 6.203 6.418 1.00 0.00 C ATOM 431 C ASP A 32 45.537 7.605 6.872 1.00 0.00 C ATOM 432 O ASP A 32 45.173 8.035 7.965 1.00 0.00 O ATOM 433 CB ASP A 32 44.965 5.273 7.620 1.00 0.00 C ATOM 434 CG ASP A 32 43.709 5.624 8.405 1.00 0.00 C ATOM 435 OD1 ASP A 32 42.794 6.250 7.821 1.00 0.00 O ATOM 436 OD2 ASP A 32 43.626 5.272 9.598 1.00 0.00 O ATOM 0 H ASP A 32 47.164 5.826 5.871 1.00 0.00 H new ATOM 0 HA ASP A 32 44.232 6.239 5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 32 44.898 4.242 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 32 45.832 5.332 8.278 1.00 0.00 H new ATOM 441 N ARG A 33 46.255 8.331 6.000 1.00 0.00 N ATOM 442 CA ARG A 33 46.683 9.706 6.297 1.00 0.00 C ATOM 443 C ARG A 33 47.623 9.679 7.480 1.00 0.00 C ATOM 444 O ARG A 33 47.834 10.674 8.174 1.00 0.00 O ATOM 445 CB ARG A 33 45.458 10.564 6.586 1.00 0.00 C ATOM 446 CG ARG A 33 44.369 10.331 5.565 1.00 0.00 C ATOM 447 CD ARG A 33 42.978 10.454 6.176 1.00 0.00 C ATOM 448 NE ARG A 33 42.680 9.347 7.092 1.00 0.00 N ATOM 449 CZ ARG A 33 41.818 9.412 8.103 1.00 0.00 C ATOM 450 NH1 ARG A 33 41.175 10.547 8.364 1.00 0.00 N ATOM 451 NH2 ARG A 33 41.606 8.339 8.855 1.00 0.00 N ATOM 0 H ARG A 33 46.550 7.989 5.086 1.00 0.00 H new ATOM 0 HA ARG A 33 47.207 10.137 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 33 45.079 10.337 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 33 45.741 11.617 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 33 44.473 11.051 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 33 44.487 9.339 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 33 42.900 11.400 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 33 42.233 10.477 5.380 1.00 0.00 H new ATOM 0 HE ARG A 33 43.169 8.464 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 33 41.342 11.372 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 33 40.515 10.592 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 33 42.103 7.471 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 33 40.946 8.383 9.632 1.00 0.00 H new ATOM 465 N SER A 34 48.192 8.507 7.642 1.00 0.00 N ATOM 466 CA SER A 34 49.027 8.150 8.756 1.00 0.00 C ATOM 467 C SER A 34 49.294 6.652 8.663 1.00 0.00 C ATOM 468 O SER A 34 49.388 5.969 9.684 1.00 0.00 O ATOM 469 CB SER A 34 48.335 8.488 10.088 1.00 0.00 C ATOM 470 OG SER A 34 49.186 8.225 11.192 1.00 0.00 O ATOM 0 H SER A 34 48.078 7.747 6.971 1.00 0.00 H new ATOM 0 HA SER A 34 49.961 8.712 8.724 1.00 0.00 H new ATOM 0 HB2 SER A 34 48.044 9.538 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 34 47.420 7.903 10.184 1.00 0.00 H new ATOM 0 HG SER A 34 49.705 7.412 11.019 1.00 0.00 H new ATOM 476 N ASP A 35 49.425 6.137 7.426 1.00 0.00 N ATOM 477 CA ASP A 35 49.649 4.686 7.215 1.00 0.00 C ATOM 478 C ASP A 35 51.011 4.201 7.749 1.00 0.00 C ATOM 479 O ASP A 35 51.423 3.068 7.487 1.00 0.00 O ATOM 480 CB ASP A 35 49.489 4.287 5.743 1.00 0.00 C ATOM 481 CG ASP A 35 50.519 4.873 4.794 1.00 0.00 C ATOM 482 OD1 ASP A 35 51.509 5.470 5.245 1.00 0.00 O ATOM 483 OD2 ASP A 35 50.316 4.723 3.577 1.00 0.00 O ATOM 0 H ASP A 35 49.381 6.688 6.569 1.00 0.00 H new ATOM 0 HA ASP A 35 48.873 4.188 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 35 49.531 3.200 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 35 48.497 4.590 5.408 1.00 0.00 H new ATOM 488 N GLU A 36 51.658 5.040 8.543 1.00 0.00 N ATOM 489 CA GLU A 36 52.907 4.696 9.217 1.00 0.00 C ATOM 490 C GLU A 36 52.650 4.445 10.694 1.00 0.00 C ATOM 491 O GLU A 36 53.572 4.225 11.480 1.00 0.00 O ATOM 492 CB GLU A 36 53.906 5.839 9.082 1.00 0.00 C ATOM 493 CG GLU A 36 54.731 5.781 7.816 1.00 0.00 C ATOM 494 CD GLU A 36 55.735 4.651 7.842 1.00 0.00 C ATOM 495 OE1 GLU A 36 56.484 4.543 8.832 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.773 3.865 6.881 1.00 0.00 O ATOM 0 H GLU A 36 51.332 5.986 8.741 1.00 0.00 H new ATOM 0 HA GLU A 36 53.312 3.796 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 36 53.367 6.786 9.110 1.00 0.00 H new ATOM 0 HB3 GLU A 36 54.576 5.828 9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 36 54.070 5.658 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 36 55.255 6.727 7.682 1.00 0.00 H new ATOM 503 N SER A 37 51.387 4.480 11.066 1.00 0.00 N ATOM 504 CA SER A 37 50.989 4.286 12.442 1.00 0.00 C ATOM 505 C SER A 37 49.622 3.626 12.500 1.00 0.00 C ATOM 506 O SER A 37 48.796 3.824 11.611 1.00 0.00 O ATOM 507 CB SER A 37 50.965 5.622 13.185 1.00 0.00 C ATOM 508 OG SER A 37 52.247 6.224 13.179 1.00 0.00 O ATOM 0 H SER A 37 50.611 4.643 10.424 1.00 0.00 H new ATOM 0 HA SER A 37 51.716 3.635 12.928 1.00 0.00 H new ATOM 0 HB2 SER A 37 50.242 6.290 12.717 1.00 0.00 H new ATOM 0 HB3 SER A 37 50.636 5.466 14.212 1.00 0.00 H new ATOM 0 HG SER A 37 52.210 7.078 13.658 1.00 0.00 H new ATOM 514 N ALA A 38 49.417 2.810 13.531 1.00 0.00 N ATOM 515 CA ALA A 38 48.166 2.079 13.743 1.00 0.00 C ATOM 516 C ALA A 38 47.993 0.958 12.731 1.00 0.00 C ATOM 517 O ALA A 38 47.049 0.170 12.810 1.00 0.00 O ATOM 518 CB ALA A 38 46.958 3.012 13.750 1.00 0.00 C ATOM 0 H ALA A 38 50.119 2.635 14.250 1.00 0.00 H new ATOM 0 HA ALA A 38 48.228 1.622 14.731 1.00 0.00 H new ATOM 0 HB1 ALA A 38 46.050 2.430 13.910 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.067 3.742 14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.893 3.530 12.793 1.00 0.00 H new ATOM 524 N SER A 39 48.909 0.894 11.794 1.00 0.00 N ATOM 525 CA SER A 39 49.037 -0.242 10.923 1.00 0.00 C ATOM 526 C SER A 39 50.289 -0.989 11.345 1.00 0.00 C ATOM 527 O SER A 39 50.228 -2.091 11.893 1.00 0.00 O ATOM 528 CB SER A 39 49.140 0.230 9.468 1.00 0.00 C ATOM 529 OG SER A 39 50.055 1.313 9.361 1.00 0.00 O ATOM 0 H SER A 39 49.588 1.634 11.616 1.00 0.00 H new ATOM 0 HA SER A 39 48.169 -0.897 10.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 49.467 -0.594 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 39 48.158 0.538 9.109 1.00 0.00 H new ATOM 0 HG SER A 39 50.161 1.560 8.418 1.00 0.00 H new ATOM 535 N CYS A 40 51.427 -0.361 11.112 1.00 0.00 N ATOM 536 CA CYS A 40 52.693 -0.867 11.601 1.00 0.00 C ATOM 537 C CYS A 40 53.078 -0.216 12.924 1.00 0.00 C ATOM 538 O CYS A 40 52.772 0.951 13.163 1.00 0.00 O ATOM 539 CB CYS A 40 53.781 -0.655 10.560 1.00 0.00 C ATOM 540 SG CYS A 40 53.629 -1.780 9.141 1.00 0.00 S ATOM 0 H CYS A 40 51.498 0.508 10.582 1.00 0.00 H new ATOM 0 HA CYS A 40 52.583 -1.936 11.781 1.00 0.00 H new ATOM 0 HB2 CYS A 40 53.743 0.375 10.206 1.00 0.00 H new ATOM 0 HB3 CYS A 40 54.756 -0.796 11.027 1.00 0.00 H new ATOM 545 N ALA A 41 53.731 -0.983 13.787 1.00 0.00 N ATOM 546 CA ALA A 41 54.312 -0.436 15.006 1.00 0.00 C ATOM 547 C ALA A 41 55.814 -0.261 14.820 1.00 0.00 C ATOM 548 O ALA A 41 56.515 0.233 15.701 1.00 0.00 O ATOM 549 CB ALA A 41 54.008 -1.347 16.183 1.00 0.00 C ATOM 0 H ALA A 41 53.872 -1.986 13.666 1.00 0.00 H new ATOM 0 HA ALA A 41 53.873 0.540 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.447 -0.929 17.089 1.00 0.00 H new ATOM 0 HB2 ALA A 41 52.929 -1.432 16.308 1.00 0.00 H new ATOM 0 HB3 ALA A 41 54.430 -2.335 15.997 1.00 0.00 H new ATOM 555 N TYR A 42 56.274 -0.682 13.644 1.00 0.00 N ATOM 556 CA TYR A 42 57.678 -0.604 13.243 1.00 0.00 C ATOM 557 C TYR A 42 58.625 -1.254 14.243 1.00 0.00 C ATOM 558 O TYR A 42 59.250 -0.575 15.060 1.00 0.00 O ATOM 559 CB TYR A 42 58.101 0.838 12.955 1.00 0.00 C ATOM 560 CG TYR A 42 57.992 1.184 11.488 1.00 0.00 C ATOM 561 CD1 TYR A 42 56.759 1.180 10.844 1.00 0.00 C ATOM 562 CD2 TYR A 42 59.124 1.486 10.739 1.00 0.00 C ATOM 563 CE1 TYR A 42 56.660 1.466 9.498 1.00 0.00 C ATOM 564 CE2 TYR A 42 59.027 1.776 9.397 1.00 0.00 C ATOM 565 CZ TYR A 42 57.796 1.763 8.786 1.00 0.00 C ATOM 566 OH TYR A 42 57.702 2.046 7.458 1.00 0.00 O ATOM 0 H TYR A 42 55.672 -1.094 12.931 1.00 0.00 H new ATOM 0 HA TYR A 42 57.755 -1.179 12.320 1.00 0.00 H new ATOM 0 HB2 TYR A 42 57.478 1.520 13.534 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.129 0.986 13.286 1.00 0.00 H new ATOM 0 HD1 TYR A 42 55.866 0.950 11.406 1.00 0.00 H new ATOM 0 HD2 TYR A 42 60.093 1.493 11.217 1.00 0.00 H new ATOM 0 HE1 TYR A 42 55.697 1.456 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 42 59.913 2.012 8.827 1.00 0.00 H new ATOM 0 HH TYR A 42 56.882 2.556 7.289 1.00 0.00 H new ATOM 576 N PRO A 43 58.723 -2.593 14.204 1.00 0.00 N ATOM 577 CA PRO A 43 59.755 -3.316 14.935 1.00 0.00 C ATOM 578 C PRO A 43 61.079 -3.277 14.178 1.00 0.00 C ATOM 579 O PRO A 43 62.155 -3.405 14.760 1.00 0.00 O ATOM 580 CB PRO A 43 59.200 -4.738 15.007 1.00 0.00 C ATOM 581 CG PRO A 43 58.362 -4.879 13.782 1.00 0.00 C ATOM 582 CD PRO A 43 57.822 -3.504 13.471 1.00 0.00 C ATOM 0 HA PRO A 43 59.966 -2.894 15.918 1.00 0.00 H new ATOM 0 HB2 PRO A 43 60.002 -5.476 15.025 1.00 0.00 H new ATOM 0 HB3 PRO A 43 58.609 -4.887 15.911 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.953 -5.261 12.950 1.00 0.00 H new ATOM 0 HG3 PRO A 43 57.550 -5.587 13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 43 57.836 -3.303 12.400 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.789 -3.396 13.802 1.00 0.00 H new ATOM 590 N THR A 44 60.971 -3.098 12.869 1.00 0.00 N ATOM 591 CA THR A 44 62.119 -2.946 11.996 1.00 0.00 C ATOM 592 C THR A 44 61.792 -1.965 10.887 1.00 0.00 C ATOM 593 O THR A 44 62.079 -0.778 10.989 1.00 0.00 O ATOM 594 CB THR A 44 62.545 -4.295 11.379 1.00 0.00 C ATOM 595 OG1 THR A 44 61.385 -5.030 10.955 1.00 0.00 O ATOM 596 CG2 THR A 44 63.337 -5.137 12.365 1.00 0.00 C ATOM 0 H THR A 44 60.076 -3.054 12.382 1.00 0.00 H new ATOM 0 HA THR A 44 62.948 -2.570 12.596 1.00 0.00 H new ATOM 0 HB THR A 44 63.183 -4.077 10.523 1.00 0.00 H new ATOM 0 HG1 THR A 44 61.664 -5.884 10.563 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.619 -6.079 11.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 64.235 -4.598 12.665 1.00 0.00 H new ATOM 0 HG23 THR A 44 62.725 -5.339 13.244 1.00 0.00 H new ATOM 604 N CYS A 45 61.132 -2.476 9.865 1.00 0.00 N ATOM 605 CA CYS A 45 60.754 -1.686 8.694 1.00 0.00 C ATOM 606 C CYS A 45 59.575 -2.313 7.977 1.00 0.00 C ATOM 607 O CYS A 45 58.481 -1.755 7.929 1.00 0.00 O ATOM 608 CB CYS A 45 61.910 -1.569 7.686 1.00 0.00 C ATOM 609 SG CYS A 45 63.358 -0.625 8.260 1.00 0.00 S ATOM 0 H CYS A 45 60.839 -3.452 9.817 1.00 0.00 H new ATOM 0 HA CYS A 45 60.492 -0.695 9.064 1.00 0.00 H new ATOM 0 HB2 CYS A 45 62.237 -2.573 7.416 1.00 0.00 H new ATOM 0 HB3 CYS A 45 61.531 -1.102 6.777 1.00 0.00 H new ATOM 614 N PHE A 46 59.816 -3.496 7.440 1.00 0.00 N ATOM 615 CA PHE A 46 58.896 -4.118 6.500 1.00 0.00 C ATOM 616 C PHE A 46 57.612 -4.583 7.177 1.00 0.00 C ATOM 617 O PHE A 46 57.640 -5.173 8.259 1.00 0.00 O ATOM 618 CB PHE A 46 59.579 -5.294 5.779 1.00 0.00 C ATOM 619 CG PHE A 46 59.394 -6.633 6.435 1.00 0.00 C ATOM 620 CD1 PHE A 46 60.219 -7.044 7.466 1.00 0.00 C ATOM 621 CD2 PHE A 46 58.385 -7.481 6.007 1.00 0.00 C ATOM 622 CE1 PHE A 46 60.039 -8.279 8.061 1.00 0.00 C ATOM 623 CE2 PHE A 46 58.199 -8.714 6.591 1.00 0.00 C ATOM 624 CZ PHE A 46 59.028 -9.115 7.621 1.00 0.00 C ATOM 0 H PHE A 46 60.648 -4.050 7.640 1.00 0.00 H new ATOM 0 HA PHE A 46 58.620 -3.361 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 46 59.195 -5.349 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 46 60.646 -5.086 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 46 61.011 -6.395 7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 46 57.734 -7.170 5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 46 60.686 -8.591 8.868 1.00 0.00 H new ATOM 0 HE2 PHE A 46 57.409 -9.364 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 46 58.887 -10.081 8.083 1.00 0.00 H new ATOM 634 N PRO A 47 56.465 -4.278 6.560 1.00 0.00 N ATOM 635 CA PRO A 47 55.197 -4.888 6.923 1.00 0.00 C ATOM 636 C PRO A 47 54.931 -6.149 6.112 1.00 0.00 C ATOM 637 O PRO A 47 54.214 -7.046 6.545 1.00 0.00 O ATOM 638 CB PRO A 47 54.196 -3.808 6.540 1.00 0.00 C ATOM 639 CG PRO A 47 54.797 -3.163 5.335 1.00 0.00 C ATOM 640 CD PRO A 47 56.297 -3.256 5.505 1.00 0.00 C ATOM 0 HA PRO A 47 55.157 -5.193 7.969 1.00 0.00 H new ATOM 0 HB2 PRO A 47 53.217 -4.233 6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 47 54.056 -3.090 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 47 54.477 -3.668 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 47 54.479 -2.124 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 47 56.788 -3.552 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 47 56.727 -2.299 5.802 1.00 0.00 H new ATOM 648 N LEU A 48 55.539 -6.196 4.930 1.00 0.00 N ATOM 649 CA LEU A 48 55.272 -7.242 3.954 1.00 0.00 C ATOM 650 C LEU A 48 56.480 -7.482 3.045 1.00 0.00 C ATOM 651 O LEU A 48 57.106 -8.535 3.104 1.00 0.00 O ATOM 652 CB LEU A 48 54.025 -6.886 3.126 1.00 0.00 C ATOM 653 CG LEU A 48 52.704 -7.014 3.888 1.00 0.00 C ATOM 654 CD1 LEU A 48 52.038 -5.656 4.052 1.00 0.00 C ATOM 655 CD2 LEU A 48 51.774 -7.994 3.188 1.00 0.00 C ATOM 0 H LEU A 48 56.229 -5.510 4.624 1.00 0.00 H new ATOM 0 HA LEU A 48 55.082 -8.170 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 48 54.124 -5.863 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.989 -7.532 2.249 1.00 0.00 H new ATOM 0 HG LEU A 48 52.921 -7.403 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 48 51.101 -5.774 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 48 52.699 -4.991 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 48 51.836 -5.229 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 50.840 -8.071 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 48 51.566 -7.640 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 48 52.249 -8.974 3.138 1.00 0.00 H new ATOM 667 N THR A 49 56.822 -6.491 2.228 1.00 0.00 N ATOM 668 CA THR A 49 57.906 -6.610 1.269 1.00 0.00 C ATOM 669 C THR A 49 58.640 -5.278 1.159 1.00 0.00 C ATOM 670 O THR A 49 58.258 -4.388 0.401 1.00 0.00 O ATOM 671 CB THR A 49 57.404 -7.071 -0.126 1.00 0.00 C ATOM 672 OG1 THR A 49 56.307 -6.262 -0.570 1.00 0.00 O ATOM 673 CG2 THR A 49 56.972 -8.532 -0.109 1.00 0.00 C ATOM 0 H THR A 49 56.354 -5.585 2.215 1.00 0.00 H new ATOM 0 HA THR A 49 58.591 -7.377 1.630 1.00 0.00 H new ATOM 0 HB THR A 49 58.239 -6.959 -0.817 1.00 0.00 H new ATOM 0 HG1 THR A 49 56.009 -6.570 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 49 56.626 -8.821 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 49 57.817 -9.158 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 49 56.163 -8.664 0.609 1.00 0.00 H new ATOM 681 N GLN A 50 59.673 -5.143 1.963 1.00 0.00 N ATOM 682 CA GLN A 50 60.476 -3.930 2.023 1.00 0.00 C ATOM 683 C GLN A 50 61.958 -4.281 2.029 1.00 0.00 C ATOM 684 O GLN A 50 62.346 -5.373 2.441 1.00 0.00 O ATOM 685 CB GLN A 50 60.164 -3.137 3.296 1.00 0.00 C ATOM 686 CG GLN A 50 58.781 -2.510 3.339 1.00 0.00 C ATOM 687 CD GLN A 50 58.669 -1.283 2.467 1.00 0.00 C ATOM 688 OE1 GLN A 50 58.294 -1.371 1.300 1.00 0.00 O ATOM 689 NE2 GLN A 50 58.998 -0.131 3.034 1.00 0.00 N ATOM 0 H GLN A 50 59.986 -5.875 2.600 1.00 0.00 H new ATOM 0 HA GLN A 50 60.236 -3.328 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.273 -3.800 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.908 -2.348 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 50 58.043 -3.246 3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 50 58.540 -2.243 4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.304 -0.110 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.946 0.735 2.497 1.00 0.00 H new ATOM 698 N PHE A 51 62.771 -3.347 1.579 1.00 0.00 N ATOM 699 CA PHE A 51 64.216 -3.447 1.688 1.00 0.00 C ATOM 700 C PHE A 51 64.664 -2.445 2.748 1.00 0.00 C ATOM 701 O PHE A 51 64.024 -1.418 2.939 1.00 0.00 O ATOM 702 CB PHE A 51 64.862 -3.141 0.325 1.00 0.00 C ATOM 703 CG PHE A 51 66.361 -3.332 0.248 1.00 0.00 C ATOM 704 CD1 PHE A 51 67.230 -2.423 0.831 1.00 0.00 C ATOM 705 CD2 PHE A 51 66.900 -4.407 -0.440 1.00 0.00 C ATOM 706 CE1 PHE A 51 68.597 -2.585 0.738 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.267 -4.573 -0.535 1.00 0.00 C ATOM 708 CZ PHE A 51 69.119 -3.663 0.053 1.00 0.00 C ATOM 0 H PHE A 51 62.449 -2.492 1.125 1.00 0.00 H new ATOM 0 HA PHE A 51 64.522 -4.452 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.395 -3.776 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.632 -2.109 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 51 66.831 -1.574 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 51 66.242 -5.124 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 51 69.258 -1.868 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 51 68.670 -5.419 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 51 70.189 -3.793 -0.022 1.00 0.00 H new ATOM 718 N THR A 52 65.717 -2.749 3.469 1.00 0.00 N ATOM 719 CA THR A 52 66.216 -1.840 4.477 1.00 0.00 C ATOM 720 C THR A 52 67.569 -1.276 4.058 1.00 0.00 C ATOM 721 O THR A 52 68.570 -1.996 4.059 1.00 0.00 O ATOM 722 CB THR A 52 66.343 -2.557 5.833 1.00 0.00 C ATOM 723 OG1 THR A 52 65.106 -3.221 6.141 1.00 0.00 O ATOM 724 CG2 THR A 52 66.684 -1.574 6.941 1.00 0.00 C ATOM 0 H THR A 52 66.245 -3.617 3.378 1.00 0.00 H new ATOM 0 HA THR A 52 65.507 -1.018 4.580 1.00 0.00 H new ATOM 0 HB THR A 52 67.149 -3.287 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 52 65.187 -3.679 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 52 66.768 -2.108 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 67.632 -1.085 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 52 65.897 -0.823 7.016 1.00 0.00 H new ATOM 732 N CYS A 53 67.586 -0.007 3.644 1.00 0.00 N ATOM 733 CA CYS A 53 68.849 0.675 3.359 1.00 0.00 C ATOM 734 C CYS A 53 69.807 0.550 4.541 1.00 0.00 C ATOM 735 O CYS A 53 69.431 0.810 5.683 1.00 0.00 O ATOM 736 CB CYS A 53 68.609 2.148 3.043 1.00 0.00 C ATOM 737 SG CYS A 53 67.680 2.433 1.505 1.00 0.00 S ATOM 0 H CYS A 53 66.752 0.562 3.500 1.00 0.00 H new ATOM 0 HA CYS A 53 69.298 0.198 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 53 68.067 2.603 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 53 69.571 2.656 2.974 1.00 0.00 H new ATOM 742 N ASN A 54 71.046 0.163 4.250 1.00 0.00 N ATOM 743 CA ASN A 54 72.048 -0.119 5.283 1.00 0.00 C ATOM 744 C ASN A 54 72.285 1.059 6.223 1.00 0.00 C ATOM 745 O ASN A 54 72.686 0.862 7.367 1.00 0.00 O ATOM 746 CB ASN A 54 73.376 -0.544 4.655 1.00 0.00 C ATOM 747 CG ASN A 54 73.787 0.330 3.488 1.00 0.00 C ATOM 748 OD1 ASN A 54 74.319 1.426 3.664 1.00 0.00 O ATOM 749 ND2 ASN A 54 73.559 -0.166 2.282 1.00 0.00 N ATOM 0 H ASN A 54 71.386 0.035 3.297 1.00 0.00 H new ATOM 0 HA ASN A 54 71.642 -0.937 5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 54 74.156 -0.515 5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 54 73.297 -1.577 4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 54 73.827 0.365 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 54 73.115 -1.079 2.182 1.00 0.00 H new ATOM 756 N ASN A 55 72.037 2.276 5.756 1.00 0.00 N ATOM 757 CA ASN A 55 72.242 3.455 6.585 1.00 0.00 C ATOM 758 C ASN A 55 71.096 3.673 7.578 1.00 0.00 C ATOM 759 O ASN A 55 71.036 4.701 8.253 1.00 0.00 O ATOM 760 CB ASN A 55 72.446 4.695 5.717 1.00 0.00 C ATOM 761 CG ASN A 55 73.911 5.042 5.540 1.00 0.00 C ATOM 762 OD1 ASN A 55 74.468 5.835 6.297 1.00 0.00 O ATOM 763 ND2 ASN A 55 74.551 4.437 4.552 1.00 0.00 N ATOM 0 H ASN A 55 71.696 2.471 4.815 1.00 0.00 H new ATOM 0 HA ASN A 55 73.145 3.282 7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 55 71.994 4.529 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 55 71.927 5.541 6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 55 75.542 4.622 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 55 74.053 3.785 3.945 1.00 0.00 H new ATOM 770 N GLY A 56 70.176 2.714 7.653 1.00 0.00 N ATOM 771 CA GLY A 56 69.148 2.747 8.679 1.00 0.00 C ATOM 772 C GLY A 56 67.802 3.179 8.146 1.00 0.00 C ATOM 773 O GLY A 56 66.865 3.401 8.907 1.00 0.00 O ATOM 0 H GLY A 56 70.124 1.915 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 56 69.056 1.757 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 56 69.455 3.428 9.473 1.00 0.00 H new ATOM 777 N ARG A 57 67.712 3.331 6.837 1.00 0.00 N ATOM 778 CA ARG A 57 66.463 3.724 6.207 1.00 0.00 C ATOM 779 C ARG A 57 65.684 2.489 5.795 1.00 0.00 C ATOM 780 O ARG A 57 66.261 1.437 5.542 1.00 0.00 O ATOM 781 CB ARG A 57 66.697 4.613 4.973 1.00 0.00 C ATOM 782 CG ARG A 57 67.453 5.906 5.238 1.00 0.00 C ATOM 783 CD ARG A 57 68.902 5.639 5.609 1.00 0.00 C ATOM 784 NE ARG A 57 69.804 6.709 5.203 1.00 0.00 N ATOM 785 CZ ARG A 57 70.406 7.551 6.039 1.00 0.00 C ATOM 786 NH1 ARG A 57 70.128 7.519 7.340 1.00 0.00 N ATOM 787 NH2 ARG A 57 71.306 8.405 5.573 1.00 0.00 N ATOM 0 H ARG A 57 68.487 3.189 6.190 1.00 0.00 H new ATOM 0 HA ARG A 57 65.895 4.302 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 57 67.246 4.036 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 57 65.730 4.860 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 57 67.414 6.539 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 57 66.965 6.455 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 57 68.975 5.501 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 57 69.223 4.706 5.146 1.00 0.00 H new ATOM 0 HE ARG A 57 69.987 6.821 4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 57 69.451 6.847 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 57 70.592 8.167 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 57 71.534 8.414 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 57 71.771 9.053 6.209 1.00 0.00 H new ATOM 801 N CYS A 58 64.385 2.627 5.712 1.00 0.00 N ATOM 802 CA CYS A 58 63.539 1.571 5.203 1.00 0.00 C ATOM 803 C CYS A 58 63.034 1.987 3.831 1.00 0.00 C ATOM 804 O CYS A 58 62.646 3.137 3.646 1.00 0.00 O ATOM 805 CB CYS A 58 62.367 1.346 6.158 1.00 0.00 C ATOM 806 SG CYS A 58 62.846 1.308 7.920 1.00 0.00 S ATOM 0 H CYS A 58 63.883 3.469 5.993 1.00 0.00 H new ATOM 0 HA CYS A 58 64.098 0.639 5.122 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.632 2.137 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.879 0.405 5.904 1.00 0.00 H new ATOM 811 N ILE A 59 63.087 1.085 2.861 1.00 0.00 N ATOM 812 CA ILE A 59 62.613 1.399 1.524 1.00 0.00 C ATOM 813 C ILE A 59 61.702 0.303 0.995 1.00 0.00 C ATOM 814 O ILE A 59 61.694 -0.812 1.517 1.00 0.00 O ATOM 815 CB ILE A 59 63.760 1.622 0.519 1.00 0.00 C ATOM 816 CG1 ILE A 59 64.730 0.441 0.533 1.00 0.00 C ATOM 817 CG2 ILE A 59 64.473 2.919 0.831 1.00 0.00 C ATOM 818 CD1 ILE A 59 65.677 0.411 -0.648 1.00 0.00 C ATOM 0 H ILE A 59 63.450 0.139 2.974 1.00 0.00 H new ATOM 0 HA ILE A 59 62.058 2.332 1.618 1.00 0.00 H new ATOM 0 HB ILE A 59 63.341 1.691 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 59 65.313 0.473 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.158 -0.486 0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 59 65.282 3.070 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 59 63.768 3.748 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 59 64.883 2.875 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.333 -0.456 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 59 65.104 0.346 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 59 66.277 1.321 -0.656 1.00 0.00 H new ATOM 830 N ASN A 60 60.944 0.612 -0.046 1.00 0.00 N ATOM 831 CA ASN A 60 60.066 -0.377 -0.659 1.00 0.00 C ATOM 832 C ASN A 60 60.884 -1.474 -1.318 1.00 0.00 C ATOM 833 O ASN A 60 61.999 -1.233 -1.787 1.00 0.00 O ATOM 834 CB ASN A 60 59.159 0.253 -1.719 1.00 0.00 C ATOM 835 CG ASN A 60 58.199 1.299 -1.185 1.00 0.00 C ATOM 836 OD1 ASN A 60 57.874 2.255 -1.890 1.00 0.00 O ATOM 837 ND2 ASN A 60 57.713 1.113 0.033 1.00 0.00 N ATOM 0 H ASN A 60 60.918 1.533 -0.483 1.00 0.00 H new ATOM 0 HA ASN A 60 59.448 -0.792 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 60 59.783 0.709 -2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 60 58.584 -0.537 -2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 60 57.042 1.776 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 60 58.010 0.307 0.583 1.00 0.00 H new ATOM 844 N ILE A 61 60.322 -2.677 -1.383 1.00 0.00 N ATOM 845 CA ILE A 61 60.962 -3.775 -2.097 1.00 0.00 C ATOM 846 C ILE A 61 60.881 -3.515 -3.612 1.00 0.00 C ATOM 847 O ILE A 61 61.455 -4.239 -4.425 1.00 0.00 O ATOM 848 CB ILE A 61 60.304 -5.139 -1.774 1.00 0.00 C ATOM 849 CG1 ILE A 61 61.289 -6.278 -2.052 1.00 0.00 C ATOM 850 CG2 ILE A 61 59.024 -5.330 -2.580 1.00 0.00 C ATOM 851 CD1 ILE A 61 62.514 -6.244 -1.164 1.00 0.00 C ATOM 0 H ILE A 61 59.429 -2.915 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 61 62.002 -3.822 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 61 60.041 -5.153 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 61 60.778 -7.231 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.604 -6.230 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 61 58.581 -6.295 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 61 58.319 -4.535 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 61 59.256 -5.297 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.169 -7.079 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.048 -5.306 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.209 -6.323 -0.120 1.00 0.00 H new ATOM 863 N ASN A 62 60.192 -2.434 -3.964 1.00 0.00 N ATOM 864 CA ASN A 62 59.852 -2.122 -5.350 1.00 0.00 C ATOM 865 C ASN A 62 60.794 -1.077 -5.942 1.00 0.00 C ATOM 866 O ASN A 62 60.470 -0.432 -6.935 1.00 0.00 O ATOM 867 CB ASN A 62 58.413 -1.602 -5.400 1.00 0.00 C ATOM 868 CG ASN A 62 57.407 -2.627 -4.911 1.00 0.00 C ATOM 869 OD1 ASN A 62 57.509 -3.812 -5.216 1.00 0.00 O ATOM 870 ND2 ASN A 62 56.454 -2.183 -4.103 1.00 0.00 N ATOM 0 H ASN A 62 59.852 -1.745 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 62 59.953 -3.031 -5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 62 58.334 -0.701 -4.791 1.00 0.00 H new ATOM 0 HB3 ASN A 62 58.168 -1.317 -6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 62 55.773 -2.834 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 62 56.402 -1.191 -3.873 1.00 0.00 H new ATOM 877 N TRP A 63 61.963 -0.921 -5.336 1.00 0.00 N ATOM 878 CA TRP A 63 62.948 0.064 -5.801 1.00 0.00 C ATOM 879 C TRP A 63 64.113 -0.648 -6.493 1.00 0.00 C ATOM 880 O TRP A 63 65.197 -0.093 -6.685 1.00 0.00 O ATOM 881 CB TRP A 63 63.452 0.911 -4.622 1.00 0.00 C ATOM 882 CG TRP A 63 62.414 1.838 -4.048 1.00 0.00 C ATOM 883 CD1 TRP A 63 61.053 1.701 -4.106 1.00 0.00 C ATOM 884 CD2 TRP A 63 62.655 3.048 -3.317 1.00 0.00 C ATOM 885 NE1 TRP A 63 60.441 2.747 -3.461 1.00 0.00 N ATOM 886 CE2 TRP A 63 61.404 3.585 -2.969 1.00 0.00 C ATOM 887 CE3 TRP A 63 63.811 3.728 -2.921 1.00 0.00 C ATOM 888 CZ2 TRP A 63 61.273 4.771 -2.250 1.00 0.00 C ATOM 889 CZ3 TRP A 63 63.681 4.905 -2.206 1.00 0.00 C ATOM 890 CH2 TRP A 63 62.421 5.413 -1.877 1.00 0.00 C ATOM 0 H TRP A 63 62.258 -1.460 -4.522 1.00 0.00 H new ATOM 0 HA TRP A 63 62.472 0.730 -6.521 1.00 0.00 H new ATOM 0 HB2 TRP A 63 63.806 0.246 -3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 63 64.309 1.500 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 63 60.535 0.886 -4.590 1.00 0.00 H new ATOM 0 HE1 TRP A 63 59.434 2.878 -3.364 1.00 0.00 H new ATOM 0 HE3 TRP A 63 64.788 3.341 -3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 60.301 5.168 -1.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 64.567 5.440 -1.897 1.00 0.00 H new ATOM 0 HH2 TRP A 63 62.353 6.333 -1.316 1.00 0.00 H new ATOM 901 N ARG A 64 63.863 -1.900 -6.854 1.00 0.00 N ATOM 902 CA ARG A 64 64.815 -2.701 -7.619 1.00 0.00 C ATOM 903 C ARG A 64 65.096 -2.041 -8.965 1.00 0.00 C ATOM 904 O ARG A 64 64.362 -2.264 -9.929 1.00 0.00 O ATOM 905 CB ARG A 64 64.257 -4.111 -7.864 1.00 0.00 C ATOM 906 CG ARG A 64 63.981 -4.919 -6.601 1.00 0.00 C ATOM 907 CD ARG A 64 65.256 -5.489 -5.995 1.00 0.00 C ATOM 908 NE ARG A 64 64.990 -6.273 -4.789 1.00 0.00 N ATOM 909 CZ ARG A 64 65.764 -7.275 -4.370 1.00 0.00 C ATOM 910 NH1 ARG A 64 66.755 -7.724 -5.131 1.00 0.00 N ATOM 911 NH2 ARG A 64 65.533 -7.847 -3.196 1.00 0.00 N ATOM 0 H ARG A 64 62.998 -2.389 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 64 65.738 -2.771 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 64 63.331 -4.026 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 64 64.963 -4.663 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 64 63.483 -4.285 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 64 63.296 -5.734 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 64 65.758 -6.117 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 64 65.938 -4.674 -5.754 1.00 0.00 H new ATOM 0 HE ARG A 64 64.165 -6.040 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 64 66.929 -7.302 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 64 67.343 -8.491 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 64.763 -7.521 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 64 66.126 -8.613 -2.877 1.00 0.00 H new ATOM 925 N CYS A 65 66.115 -1.201 -9.021 1.00 0.00 N ATOM 926 CA CYS A 65 66.504 -0.570 -10.269 1.00 0.00 C ATOM 927 C CYS A 65 67.371 -1.510 -11.079 1.00 0.00 C ATOM 928 O CYS A 65 67.174 -1.690 -12.283 1.00 0.00 O ATOM 929 CB CYS A 65 67.261 0.736 -10.008 1.00 0.00 C ATOM 930 SG CYS A 65 66.271 2.055 -9.227 1.00 0.00 S ATOM 0 H CYS A 65 66.687 -0.941 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 65 65.598 -0.340 -10.830 1.00 0.00 H new ATOM 0 HB2 CYS A 65 68.119 0.521 -9.371 1.00 0.00 H new ATOM 0 HB3 CYS A 65 67.652 1.108 -10.955 1.00 0.00 H new ATOM 935 N ASP A 66 68.304 -2.129 -10.388 1.00 0.00 N ATOM 936 CA ASP A 66 69.328 -2.932 -11.030 1.00 0.00 C ATOM 937 C ASP A 66 69.313 -4.364 -10.513 1.00 0.00 C ATOM 938 O ASP A 66 69.024 -5.302 -11.259 1.00 0.00 O ATOM 939 CB ASP A 66 70.698 -2.297 -10.789 1.00 0.00 C ATOM 940 CG ASP A 66 70.733 -0.835 -11.196 1.00 0.00 C ATOM 941 OD1 ASP A 66 70.093 -0.008 -10.500 1.00 0.00 O ATOM 942 OD2 ASP A 66 71.391 -0.516 -12.213 1.00 0.00 O ATOM 0 H ASP A 66 68.376 -2.092 -9.371 1.00 0.00 H new ATOM 0 HA ASP A 66 69.123 -2.964 -12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 66 70.956 -2.385 -9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 66 71.455 -2.846 -11.349 1.00 0.00 H new ATOM 947 N ASN A 67 69.619 -4.533 -9.233 1.00 0.00 N ATOM 948 CA ASN A 67 69.669 -5.850 -8.627 1.00 0.00 C ATOM 949 C ASN A 67 68.762 -5.922 -7.398 1.00 0.00 C ATOM 950 O ASN A 67 67.740 -6.611 -7.405 1.00 0.00 O ATOM 951 CB ASN A 67 71.120 -6.210 -8.271 1.00 0.00 C ATOM 952 CG ASN A 67 71.227 -7.409 -7.351 1.00 0.00 C ATOM 953 OD1 ASN A 67 71.208 -8.559 -7.793 1.00 0.00 O ATOM 954 ND2 ASN A 67 71.382 -7.139 -6.067 1.00 0.00 N ATOM 0 H ASN A 67 69.837 -3.768 -8.595 1.00 0.00 H new ATOM 0 HA ASN A 67 69.300 -6.580 -9.347 1.00 0.00 H new ATOM 0 HB2 ASN A 67 71.673 -6.413 -9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 67 71.595 -5.352 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 67 71.492 -7.899 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 67 71.391 -6.171 -5.747 1.00 0.00 H new ATOM 961 N ASP A 68 69.137 -5.202 -6.361 1.00 0.00 N ATOM 962 CA ASP A 68 68.356 -5.105 -5.141 1.00 0.00 C ATOM 963 C ASP A 68 67.735 -3.714 -5.042 1.00 0.00 C ATOM 964 O ASP A 68 67.455 -3.078 -6.061 1.00 0.00 O ATOM 965 CB ASP A 68 69.227 -5.410 -3.911 1.00 0.00 C ATOM 966 CG ASP A 68 69.023 -6.822 -3.380 1.00 0.00 C ATOM 967 OD1 ASP A 68 69.607 -7.772 -3.941 1.00 0.00 O ATOM 968 OD2 ASP A 68 68.256 -6.984 -2.408 1.00 0.00 O ATOM 0 H ASP A 68 70.002 -4.661 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 68 67.557 -5.845 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 68 70.276 -5.273 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 68 68.998 -4.693 -3.122 1.00 0.00 H new ATOM 973 N ASN A 69 67.493 -3.241 -3.834 1.00 0.00 N ATOM 974 CA ASN A 69 66.847 -1.948 -3.657 1.00 0.00 C ATOM 975 C ASN A 69 67.789 -0.948 -3.004 1.00 0.00 C ATOM 976 O ASN A 69 68.602 -1.317 -2.156 1.00 0.00 O ATOM 977 CB ASN A 69 65.598 -2.080 -2.787 1.00 0.00 C ATOM 978 CG ASN A 69 64.639 -3.150 -3.255 1.00 0.00 C ATOM 979 OD1 ASN A 69 64.679 -4.292 -2.805 1.00 0.00 O ATOM 980 ND2 ASN A 69 63.768 -2.786 -4.165 1.00 0.00 N ATOM 0 H ASN A 69 67.730 -3.724 -2.967 1.00 0.00 H new ATOM 0 HA ASN A 69 66.570 -1.590 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 69 65.901 -2.300 -1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 69 65.078 -1.122 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 69 63.093 -3.461 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 69 63.766 -1.828 -4.514 1.00 0.00 H new ATOM 987 N ASP A 70 67.675 0.317 -3.387 1.00 0.00 N ATOM 988 CA ASP A 70 68.429 1.378 -2.737 1.00 0.00 C ATOM 989 C ASP A 70 67.539 2.592 -2.497 1.00 0.00 C ATOM 990 O ASP A 70 66.335 2.524 -2.707 1.00 0.00 O ATOM 991 CB ASP A 70 69.652 1.757 -3.568 1.00 0.00 C ATOM 992 CG ASP A 70 69.417 2.926 -4.496 1.00 0.00 C ATOM 993 OD1 ASP A 70 68.604 2.791 -5.424 1.00 0.00 O ATOM 994 OD2 ASP A 70 70.048 3.984 -4.265 1.00 0.00 O ATOM 0 H ASP A 70 67.068 0.632 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 70 68.778 1.013 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.476 1.998 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 70 69.962 0.894 -4.157 1.00 0.00 H new ATOM 999 N CYS A 71 68.127 3.691 -2.042 1.00 0.00 N ATOM 1000 CA CYS A 71 67.355 4.875 -1.693 1.00 0.00 C ATOM 1001 C CYS A 71 68.128 6.151 -2.000 1.00 0.00 C ATOM 1002 O CYS A 71 67.772 6.895 -2.912 1.00 0.00 O ATOM 1003 CB CYS A 71 66.965 4.830 -0.218 1.00 0.00 C ATOM 1004 SG CYS A 71 68.298 4.267 0.894 1.00 0.00 S ATOM 0 H CYS A 71 69.133 3.787 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 71 66.450 4.881 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 71 66.645 5.825 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 71 66.107 4.169 -0.101 1.00 0.00 H new ATOM 1009 N GLY A 72 69.169 6.419 -1.221 1.00 0.00 N ATOM 1010 CA GLY A 72 69.994 7.583 -1.480 1.00 0.00 C ATOM 1011 C GLY A 72 71.322 7.551 -0.756 1.00 0.00 C ATOM 1012 O GLY A 72 72.022 8.560 -0.692 1.00 0.00 O ATOM 0 H GLY A 72 69.455 5.856 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 72 70.175 7.660 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.449 8.479 -1.184 1.00 0.00 H new ATOM 1016 N ASP A 73 71.679 6.394 -0.214 1.00 0.00 N ATOM 1017 CA ASP A 73 72.952 6.253 0.471 1.00 0.00 C ATOM 1018 C ASP A 73 73.884 5.398 -0.367 1.00 0.00 C ATOM 1019 O ASP A 73 74.779 5.907 -1.033 1.00 0.00 O ATOM 1020 CB ASP A 73 72.764 5.607 1.848 1.00 0.00 C ATOM 1021 CG ASP A 73 71.614 6.201 2.635 1.00 0.00 C ATOM 1022 OD1 ASP A 73 71.748 7.330 3.149 1.00 0.00 O ATOM 1023 OD2 ASP A 73 70.570 5.525 2.758 1.00 0.00 O ATOM 0 H ASP A 73 71.109 5.548 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 73 73.382 7.245 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 73 72.594 4.538 1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 73 73.684 5.717 2.422 1.00 0.00 H new ATOM 1028 N ASN A 74 73.629 4.093 -0.342 1.00 0.00 N ATOM 1029 CA ASN A 74 74.393 3.113 -1.109 1.00 0.00 C ATOM 1030 C ASN A 74 73.898 1.721 -0.745 1.00 0.00 C ATOM 1031 O ASN A 74 74.585 0.968 -0.067 1.00 0.00 O ATOM 1032 CB ASN A 74 75.901 3.219 -0.816 1.00 0.00 C ATOM 1033 CG ASN A 74 76.786 2.543 -1.861 1.00 0.00 C ATOM 1034 OD1 ASN A 74 77.893 3.004 -2.131 1.00 0.00 O ATOM 1035 ND2 ASN A 74 76.327 1.439 -2.437 1.00 0.00 N ATOM 0 H ASN A 74 72.880 3.682 0.216 1.00 0.00 H new ATOM 0 HA ASN A 74 74.247 3.308 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.175 4.272 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.103 2.775 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 74 76.897 0.948 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.404 1.082 -2.191 1.00 0.00 H new ATOM 1042 N SER A 75 72.683 1.396 -1.156 1.00 0.00 N ATOM 1043 CA SER A 75 72.098 0.113 -0.808 1.00 0.00 C ATOM 1044 C SER A 75 72.389 -0.935 -1.868 1.00 0.00 C ATOM 1045 O SER A 75 73.379 -1.652 -1.771 1.00 0.00 O ATOM 1046 CB SER A 75 70.603 0.253 -0.546 1.00 0.00 C ATOM 1047 OG SER A 75 70.350 1.314 0.357 1.00 0.00 O ATOM 0 H SER A 75 72.088 1.997 -1.726 1.00 0.00 H new ATOM 0 HA SER A 75 72.564 -0.231 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 75 70.080 0.435 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 75 70.211 -0.679 -0.139 1.00 0.00 H new ATOM 0 HG SER A 75 69.384 1.397 0.502 1.00 0.00 H new ATOM 1053 N ASP A 76 71.531 -1.018 -2.868 1.00 0.00 N ATOM 1054 CA ASP A 76 71.757 -1.932 -3.980 1.00 0.00 C ATOM 1055 C ASP A 76 72.996 -1.506 -4.754 1.00 0.00 C ATOM 1056 O ASP A 76 73.975 -2.247 -4.859 1.00 0.00 O ATOM 1057 CB ASP A 76 70.566 -1.960 -4.930 1.00 0.00 C ATOM 1058 CG ASP A 76 70.796 -2.907 -6.098 1.00 0.00 C ATOM 1059 OD1 ASP A 76 71.497 -3.927 -5.913 1.00 0.00 O ATOM 1060 OD2 ASP A 76 70.236 -2.676 -7.189 1.00 0.00 O ATOM 0 H ASP A 76 70.675 -0.468 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 76 71.895 -2.931 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.673 -2.266 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.379 -0.955 -5.308 1.00 0.00 H new ATOM 1065 N GLU A 77 72.956 -0.277 -5.255 1.00 0.00 N ATOM 1066 CA GLU A 77 74.022 0.245 -6.102 1.00 0.00 C ATOM 1067 C GLU A 77 74.239 1.746 -5.883 1.00 0.00 C ATOM 1068 O GLU A 77 75.363 2.242 -6.001 1.00 0.00 O ATOM 1069 CB GLU A 77 73.723 -0.069 -7.588 1.00 0.00 C ATOM 1070 CG GLU A 77 72.769 0.897 -8.306 1.00 0.00 C ATOM 1071 CD GLU A 77 71.475 1.170 -7.553 1.00 0.00 C ATOM 1072 OE1 GLU A 77 70.928 0.242 -6.936 1.00 0.00 O ATOM 1073 OE2 GLU A 77 71.040 2.339 -7.540 1.00 0.00 O ATOM 0 H GLU A 77 72.193 0.379 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 77 74.951 -0.252 -5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.668 -0.085 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.303 -1.073 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.285 1.842 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.526 0.488 -9.287 1.00 0.00 H new ATOM 1080 N ALA A 78 73.153 2.441 -5.554 1.00 0.00 N ATOM 1081 CA ALA A 78 73.157 3.883 -5.307 1.00 0.00 C ATOM 1082 C ALA A 78 73.381 4.668 -6.595 1.00 0.00 C ATOM 1083 O ALA A 78 74.379 5.376 -6.744 1.00 0.00 O ATOM 1084 CB ALA A 78 74.185 4.271 -4.251 1.00 0.00 C ATOM 0 H ALA A 78 72.233 2.014 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 78 72.171 4.143 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 78 74.158 5.350 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 78 73.954 3.763 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 78 75.180 3.978 -4.587 1.00 0.00 H new ATOM 1090 N GLY A 79 72.461 4.516 -7.535 1.00 0.00 N ATOM 1091 CA GLY A 79 72.526 5.271 -8.762 1.00 0.00 C ATOM 1092 C GLY A 79 71.799 4.588 -9.902 1.00 0.00 C ATOM 1093 O GLY A 79 72.431 4.146 -10.863 1.00 0.00 O ATOM 0 H GLY A 79 71.667 3.879 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 79 72.095 6.259 -8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 79 73.570 5.420 -9.038 1.00 0.00 H new ATOM 1097 N CYS A 80 70.468 4.514 -9.798 1.00 0.00 N ATOM 1098 CA CYS A 80 69.626 3.928 -10.848 1.00 0.00 C ATOM 1099 C CYS A 80 69.895 4.575 -12.213 1.00 0.00 C ATOM 1100 O CYS A 80 69.602 3.995 -13.261 1.00 0.00 O ATOM 1101 CB CYS A 80 68.136 4.096 -10.508 1.00 0.00 C ATOM 1102 SG CYS A 80 67.643 3.511 -8.854 1.00 0.00 S ATOM 0 H CYS A 80 69.947 4.855 -8.991 1.00 0.00 H new ATOM 0 HA CYS A 80 69.877 2.869 -10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 80 67.878 5.151 -10.594 1.00 0.00 H new ATOM 0 HB3 CYS A 80 67.548 3.562 -11.254 1.00 0.00 H new ATOM 1107 N SER A 81 70.420 5.795 -12.198 1.00 0.00 N ATOM 1108 CA SER A 81 70.757 6.503 -13.425 1.00 0.00 C ATOM 1109 C SER A 81 71.850 7.530 -13.155 1.00 0.00 C ATOM 1110 O SER A 81 72.871 7.561 -13.840 1.00 0.00 O ATOM 1111 CB SER A 81 69.520 7.194 -14.003 1.00 0.00 C ATOM 1112 OG SER A 81 68.485 6.258 -14.272 1.00 0.00 O ATOM 0 H SER A 81 70.622 6.316 -11.344 1.00 0.00 H new ATOM 0 HA SER A 81 71.123 5.778 -14.153 1.00 0.00 H new ATOM 0 HB2 SER A 81 69.160 7.946 -13.301 1.00 0.00 H new ATOM 0 HB3 SER A 81 69.788 7.717 -14.921 1.00 0.00 H new ATOM 0 HG SER A 81 67.707 6.727 -14.639 1.00 0.00 H new ATOM 1118 N HIS A 82 71.616 8.368 -12.152 1.00 0.00 N ATOM 1119 CA HIS A 82 72.576 9.379 -11.738 1.00 0.00 C ATOM 1120 C HIS A 82 72.269 9.828 -10.312 1.00 0.00 C ATOM 1121 O HIS A 82 73.203 9.896 -9.493 1.00 0.00 O ATOM 1122 CB HIS A 82 72.581 10.581 -12.706 1.00 0.00 C ATOM 1123 CG HIS A 82 71.226 11.147 -13.030 1.00 0.00 C ATOM 1124 ND1 HIS A 82 70.265 11.428 -12.089 1.00 0.00 N ATOM 1125 CD2 HIS A 82 70.689 11.497 -14.226 1.00 0.00 C ATOM 1126 CE1 HIS A 82 69.199 11.933 -12.720 1.00 0.00 C ATOM 1127 NE2 HIS A 82 69.405 11.995 -14.023 1.00 0.00 N ATOM 1128 OXT HIS A 82 71.076 10.070 -10.018 1.00 0.00 O ATOM 0 H HIS A 82 70.755 8.364 -11.604 1.00 0.00 H new ATOM 0 HA HIS A 82 73.573 8.940 -11.764 1.00 0.00 H new ATOM 0 HB2 HIS A 82 73.194 11.372 -12.274 1.00 0.00 H new ATOM 0 HB3 HIS A 82 73.062 10.277 -13.636 1.00 0.00 H new ATOM 0 HD1 HIS A 82 70.350 11.278 -11.084 1.00 0.00 H new ATOM 0 HD2 HIS A 82 71.180 11.404 -15.183 1.00 0.00 H new ATOM 0 HE1 HIS A 82 68.290 12.248 -12.229 1.00 0.00 H new TER 1136 HIS A 82