USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 497 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 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 33 THR OG1 : rot 85:sc= 1.06 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 50:sc= 0.963 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 91:sc= -0.216 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.215 K(o=-0.22,f=-2.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.11 K(o=-3.1,f=-6.7!) USER MOD Single : A 39 HIS : no HE2:sc= -7.74! C(o=-7.7!,f=-6.7!) USER MOD Single : A 41 SER OG : rot 10:sc= -0.404 USER MOD Single : A 42 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 61 ASN : amide:sc= 0.489 K(o=0.49,f=-2.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.192 -12.042 24.050 1.00 0.00 N ATOM 2 CA GLY A 1 -2.154 -12.930 22.901 1.00 0.00 C ATOM 3 C GLY A 1 -1.919 -14.379 23.335 1.00 0.00 C ATOM 4 O GLY A 1 -0.908 -14.981 22.978 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.352 -11.066 23.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.964 -12.329 24.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.287 -12.095 24.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.092 -12.859 22.351 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.361 -12.617 22.221 1.00 0.00 H new ATOM 8 N SER A 2 -2.871 -14.895 24.098 1.00 0.00 N ATOM 9 CA SER A 2 -2.781 -16.262 24.584 1.00 0.00 C ATOM 10 C SER A 2 -4.037 -17.041 24.191 1.00 0.00 C ATOM 11 O SER A 2 -5.135 -16.487 24.172 1.00 0.00 O ATOM 12 CB SER A 2 -2.590 -16.295 26.102 1.00 0.00 C ATOM 13 OG SER A 2 -1.903 -17.468 26.528 1.00 0.00 O ATOM 0 H SER A 2 -3.708 -14.392 24.392 1.00 0.00 H new ATOM 0 HA SER A 2 -1.911 -16.732 24.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.031 -15.413 26.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.563 -16.247 26.591 1.00 0.00 H new ATOM 0 HG SER A 2 -1.799 -17.451 27.502 1.00 0.00 H new ATOM 19 N SER A 3 -3.834 -18.315 23.886 1.00 0.00 N ATOM 20 CA SER A 3 -4.937 -19.176 23.495 1.00 0.00 C ATOM 21 C SER A 3 -5.641 -18.597 22.266 1.00 0.00 C ATOM 22 O SER A 3 -6.594 -17.830 22.396 1.00 0.00 O ATOM 23 CB SER A 3 -5.932 -19.353 24.643 1.00 0.00 C ATOM 24 OG SER A 3 -6.654 -20.577 24.539 1.00 0.00 O ATOM 0 H SER A 3 -2.922 -18.771 23.902 1.00 0.00 H new ATOM 0 HA SER A 3 -4.534 -20.158 23.246 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.398 -19.326 25.593 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.633 -18.518 24.648 1.00 0.00 H new ATOM 0 HG SER A 3 -7.278 -20.654 25.291 1.00 0.00 H new ATOM 30 N GLY A 4 -5.146 -18.988 21.101 1.00 0.00 N ATOM 31 CA GLY A 4 -5.716 -18.517 19.850 1.00 0.00 C ATOM 32 C GLY A 4 -5.292 -19.412 18.683 1.00 0.00 C ATOM 33 O GLY A 4 -4.740 -20.491 18.893 1.00 0.00 O ATOM 0 H GLY A 4 -4.357 -19.626 20.997 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.803 -18.501 19.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.395 -17.492 19.663 1.00 0.00 H new ATOM 37 N SER A 5 -5.567 -18.931 17.480 1.00 0.00 N ATOM 38 CA SER A 5 -5.221 -19.673 16.280 1.00 0.00 C ATOM 39 C SER A 5 -4.495 -18.760 15.290 1.00 0.00 C ATOM 40 O SER A 5 -5.131 -18.018 14.543 1.00 0.00 O ATOM 41 CB SER A 5 -6.467 -20.279 15.629 1.00 0.00 C ATOM 42 OG SER A 5 -6.134 -21.245 14.636 1.00 0.00 O ATOM 0 H SER A 5 -6.026 -18.036 17.310 1.00 0.00 H new ATOM 0 HA SER A 5 -4.558 -20.490 16.563 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.086 -20.745 16.395 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.063 -19.485 15.178 1.00 0.00 H new ATOM 0 HG SER A 5 -6.956 -21.609 14.245 1.00 0.00 H new ATOM 48 N SER A 6 -3.173 -18.844 15.317 1.00 0.00 N ATOM 49 CA SER A 6 -2.354 -18.035 14.431 1.00 0.00 C ATOM 50 C SER A 6 -1.597 -18.933 13.451 1.00 0.00 C ATOM 51 O SER A 6 -0.421 -19.231 13.657 1.00 0.00 O ATOM 52 CB SER A 6 -1.372 -17.170 15.226 1.00 0.00 C ATOM 53 OG SER A 6 -0.435 -17.959 15.953 1.00 0.00 O ATOM 0 H SER A 6 -2.649 -19.460 15.939 1.00 0.00 H new ATOM 0 HA SER A 6 -3.011 -17.370 13.870 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.837 -16.508 14.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.926 -16.535 15.918 1.00 0.00 H new ATOM 0 HG SER A 6 -0.037 -18.627 15.356 1.00 0.00 H new ATOM 59 N GLY A 7 -2.302 -19.340 12.406 1.00 0.00 N ATOM 60 CA GLY A 7 -1.711 -20.199 11.393 1.00 0.00 C ATOM 61 C GLY A 7 -0.484 -19.539 10.763 1.00 0.00 C ATOM 62 O GLY A 7 0.517 -19.306 11.439 1.00 0.00 O ATOM 0 H GLY A 7 -3.277 -19.091 12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.427 -21.152 11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.448 -20.417 10.620 1.00 0.00 H new ATOM 66 N THR A 8 -0.600 -19.256 9.474 1.00 0.00 N ATOM 67 CA THR A 8 0.487 -18.627 8.744 1.00 0.00 C ATOM 68 C THR A 8 0.873 -17.300 9.401 1.00 0.00 C ATOM 69 O THR A 8 0.082 -16.716 10.140 1.00 0.00 O ATOM 70 CB THR A 8 0.055 -18.479 7.284 1.00 0.00 C ATOM 71 OG1 THR A 8 -1.051 -17.582 7.339 1.00 0.00 O ATOM 72 CG2 THR A 8 -0.540 -19.769 6.716 1.00 0.00 C ATOM 0 H THR A 8 -1.431 -19.451 8.916 1.00 0.00 H new ATOM 0 HA THR A 8 1.387 -19.241 8.770 1.00 0.00 H new ATOM 0 HB THR A 8 0.911 -18.178 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.393 -17.428 6.434 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.830 -19.609 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.202 -20.565 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.417 -20.052 7.298 1.00 0.00 H new ATOM 80 N PRO A 9 2.121 -16.850 9.099 1.00 0.00 N ATOM 81 CA PRO A 9 2.621 -15.603 9.652 1.00 0.00 C ATOM 82 C PRO A 9 1.982 -14.400 8.955 1.00 0.00 C ATOM 83 O PRO A 9 2.666 -13.634 8.279 1.00 0.00 O ATOM 84 CB PRO A 9 4.128 -15.666 9.465 1.00 0.00 C ATOM 85 CG PRO A 9 4.372 -16.726 8.403 1.00 0.00 C ATOM 86 CD PRO A 9 3.085 -17.515 8.228 1.00 0.00 C ATOM 0 HA PRO A 9 2.369 -15.478 10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.523 -14.700 9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.627 -15.926 10.399 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.667 -16.262 7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.187 -17.386 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.753 -17.506 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.219 -18.559 8.510 1.00 0.00 H new ATOM 94 N PHE A 10 0.677 -14.271 9.145 1.00 0.00 N ATOM 95 CA PHE A 10 -0.062 -13.174 8.544 1.00 0.00 C ATOM 96 C PHE A 10 0.124 -13.154 7.026 1.00 0.00 C ATOM 97 O PHE A 10 0.806 -14.013 6.469 1.00 0.00 O ATOM 98 CB PHE A 10 0.502 -11.879 9.132 1.00 0.00 C ATOM 99 CG PHE A 10 0.666 -11.905 10.653 1.00 0.00 C ATOM 100 CD1 PHE A 10 1.822 -12.361 11.204 1.00 0.00 C ATOM 101 CD2 PHE A 10 -0.345 -11.472 11.453 1.00 0.00 C ATOM 102 CE1 PHE A 10 1.974 -12.386 12.616 1.00 0.00 C ATOM 103 CE2 PHE A 10 -0.193 -11.496 12.865 1.00 0.00 C ATOM 104 CZ PHE A 10 0.964 -11.952 13.416 1.00 0.00 C ATOM 0 H PHE A 10 0.113 -14.908 9.707 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.126 -13.285 8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.471 -11.677 8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.156 -11.053 8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.625 -12.704 10.568 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.263 -11.110 11.015 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.892 -12.750 13.054 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.996 -11.152 13.501 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.080 -11.969 14.490 1.00 0.00 H new ATOM 114 N ARG A 11 -0.496 -12.165 6.398 1.00 0.00 N ATOM 115 CA ARG A 11 -0.407 -12.023 4.955 1.00 0.00 C ATOM 116 C ARG A 11 0.327 -10.730 4.593 1.00 0.00 C ATOM 117 O ARG A 11 0.415 -9.813 5.408 1.00 0.00 O ATOM 118 CB ARG A 11 -1.797 -12.008 4.316 1.00 0.00 C ATOM 119 CG ARG A 11 -2.134 -13.368 3.703 1.00 0.00 C ATOM 120 CD ARG A 11 -3.625 -13.682 3.850 1.00 0.00 C ATOM 121 NE ARG A 11 -4.227 -13.911 2.518 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.523 -14.185 2.316 1.00 0.00 C ATOM 123 NH1 ARG A 11 -6.361 -14.265 3.359 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.982 -14.378 1.072 1.00 0.00 N ATOM 0 H ARG A 11 -1.062 -11.455 6.862 1.00 0.00 H new ATOM 0 HA ARG A 11 0.148 -12.879 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.543 -11.749 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.839 -11.238 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.860 -13.373 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.545 -14.146 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.759 -14.564 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.131 -12.857 4.350 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.617 -13.857 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.012 -14.117 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.348 -14.474 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.345 -14.316 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.969 -14.587 0.919 1.00 0.00 H new ATOM 138 N LYS A 12 0.836 -10.699 3.370 1.00 0.00 N ATOM 139 CA LYS A 12 1.560 -9.534 2.891 1.00 0.00 C ATOM 140 C LYS A 12 1.004 -9.119 1.527 1.00 0.00 C ATOM 141 O LYS A 12 0.358 -9.916 0.848 1.00 0.00 O ATOM 142 CB LYS A 12 3.066 -9.803 2.885 1.00 0.00 C ATOM 143 CG LYS A 12 3.617 -9.863 4.311 1.00 0.00 C ATOM 144 CD LYS A 12 4.868 -10.742 4.378 1.00 0.00 C ATOM 145 CE LYS A 12 4.590 -12.136 3.812 1.00 0.00 C ATOM 146 NZ LYS A 12 5.403 -13.153 4.515 1.00 0.00 N ATOM 0 H LYS A 12 0.761 -11.462 2.697 1.00 0.00 H new ATOM 0 HA LYS A 12 1.413 -8.691 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.269 -10.743 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.577 -9.019 2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.856 -8.857 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.855 -10.257 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.677 -10.273 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.203 -10.826 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.531 -12.373 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.817 -12.154 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.202 -14.093 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.413 -12.935 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.167 -13.147 5.528 1.00 0.00 H new ATOM 160 N ALA A 13 1.276 -7.874 1.166 1.00 0.00 N ATOM 161 CA ALA A 13 0.811 -7.344 -0.105 1.00 0.00 C ATOM 162 C ALA A 13 1.934 -6.534 -0.756 1.00 0.00 C ATOM 163 O ALA A 13 2.803 -6.004 -0.065 1.00 0.00 O ATOM 164 CB ALA A 13 -0.453 -6.512 0.120 1.00 0.00 C ATOM 0 H ALA A 13 1.813 -7.216 1.731 1.00 0.00 H new ATOM 0 HA ALA A 13 0.551 -8.154 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.802 -6.115 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.229 -7.140 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.230 -5.687 0.797 1.00 0.00 H new ATOM 170 N LYS A 14 1.880 -6.464 -2.078 1.00 0.00 N ATOM 171 CA LYS A 14 2.882 -5.728 -2.830 1.00 0.00 C ATOM 172 C LYS A 14 2.200 -4.607 -3.617 1.00 0.00 C ATOM 173 O LYS A 14 1.222 -4.845 -4.324 1.00 0.00 O ATOM 174 CB LYS A 14 3.704 -6.679 -3.702 1.00 0.00 C ATOM 175 CG LYS A 14 4.203 -5.973 -4.964 1.00 0.00 C ATOM 176 CD LYS A 14 5.022 -6.926 -5.837 1.00 0.00 C ATOM 177 CE LYS A 14 4.190 -7.447 -7.011 1.00 0.00 C ATOM 178 NZ LYS A 14 3.738 -8.832 -6.751 1.00 0.00 N ATOM 0 H LYS A 14 1.158 -6.905 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 14 3.595 -5.256 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.553 -7.057 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.097 -7.541 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.354 -5.592 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.813 -5.113 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.906 -6.411 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.374 -7.764 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.327 -6.800 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.782 -7.417 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.175 -9.170 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.565 -9.449 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.156 -8.851 -5.890 1.00 0.00 H new ATOM 192 N ALA A 15 2.744 -3.408 -3.468 1.00 0.00 N ATOM 193 CA ALA A 15 2.201 -2.249 -4.156 1.00 0.00 C ATOM 194 C ALA A 15 2.383 -2.425 -5.665 1.00 0.00 C ATOM 195 O ALA A 15 3.464 -2.788 -6.125 1.00 0.00 O ATOM 196 CB ALA A 15 2.877 -0.980 -3.631 1.00 0.00 C ATOM 0 H ALA A 15 3.555 -3.214 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 15 1.133 -2.153 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.470 -0.111 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.693 -0.886 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.950 -1.039 -3.811 1.00 0.00 H new ATOM 202 N LEU A 16 1.308 -2.160 -6.393 1.00 0.00 N ATOM 203 CA LEU A 16 1.336 -2.285 -7.840 1.00 0.00 C ATOM 204 C LEU A 16 1.938 -1.015 -8.446 1.00 0.00 C ATOM 205 O LEU A 16 2.785 -1.088 -9.335 1.00 0.00 O ATOM 206 CB LEU A 16 -0.057 -2.621 -8.376 1.00 0.00 C ATOM 207 CG LEU A 16 -0.659 -3.943 -7.896 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.149 -4.023 -8.235 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.120 -5.136 -8.454 1.00 0.00 C ATOM 0 H LEU A 16 0.413 -1.859 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 16 1.976 -3.116 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.735 -1.814 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.011 -2.640 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.573 -3.982 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.552 -4.973 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.677 -3.202 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.281 -3.951 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.329 -6.063 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.089 -5.114 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.156 -5.083 -8.120 1.00 0.00 H new ATOM 221 N TYR A 17 1.476 0.119 -7.941 1.00 0.00 N ATOM 222 CA TYR A 17 1.959 1.403 -8.421 1.00 0.00 C ATOM 223 C TYR A 17 2.355 2.311 -7.255 1.00 0.00 C ATOM 224 O TYR A 17 1.740 2.266 -6.191 1.00 0.00 O ATOM 225 CB TYR A 17 0.787 2.040 -9.171 1.00 0.00 C ATOM 226 CG TYR A 17 0.055 1.080 -10.111 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.957 0.276 -9.625 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.405 1.018 -11.444 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.646 -0.628 -10.510 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.284 0.114 -12.329 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.276 -0.664 -11.818 1.00 0.00 C ATOM 232 OH TYR A 17 -1.927 -1.517 -12.653 1.00 0.00 O ATOM 0 H TYR A 17 0.773 0.176 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 17 2.838 1.271 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.076 2.435 -8.445 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.156 2.887 -9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.232 0.325 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.196 1.648 -11.824 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.439 -1.263 -10.143 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.019 0.055 -13.374 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.558 -1.435 -13.557 1.00 0.00 H new ATOM 242 N ALA A 18 3.382 3.114 -7.494 1.00 0.00 N ATOM 243 CA ALA A 18 3.868 4.030 -6.477 1.00 0.00 C ATOM 244 C ALA A 18 2.789 5.073 -6.178 1.00 0.00 C ATOM 245 O ALA A 18 2.270 5.714 -7.091 1.00 0.00 O ATOM 246 CB ALA A 18 5.178 4.666 -6.947 1.00 0.00 C ATOM 0 H ALA A 18 3.891 3.149 -8.377 1.00 0.00 H new ATOM 0 HA ALA A 18 4.078 3.497 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.543 5.354 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.920 3.886 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.005 5.212 -7.874 1.00 0.00 H new ATOM 252 N CYS A 19 2.482 5.209 -4.896 1.00 0.00 N ATOM 253 CA CYS A 19 1.473 6.163 -4.466 1.00 0.00 C ATOM 254 C CYS A 19 2.089 7.061 -3.391 1.00 0.00 C ATOM 255 O CYS A 19 2.744 6.574 -2.470 1.00 0.00 O ATOM 256 CB CYS A 19 0.208 5.462 -3.967 1.00 0.00 C ATOM 257 SG CYS A 19 -1.276 6.361 -4.548 1.00 0.00 S ATOM 0 H CYS A 19 2.914 4.675 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 19 1.161 6.773 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.185 4.434 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.213 5.417 -2.878 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.659 5.874 -5.691 1.00 0.00 H new ATOM 263 N LYS A 20 1.858 8.357 -3.544 1.00 0.00 N ATOM 264 CA LYS A 20 2.382 9.327 -2.598 1.00 0.00 C ATOM 265 C LYS A 20 1.291 9.689 -1.589 1.00 0.00 C ATOM 266 O LYS A 20 0.306 10.336 -1.940 1.00 0.00 O ATOM 267 CB LYS A 20 2.963 10.535 -3.336 1.00 0.00 C ATOM 268 CG LYS A 20 4.037 11.227 -2.495 1.00 0.00 C ATOM 269 CD LYS A 20 5.426 10.673 -2.817 1.00 0.00 C ATOM 270 CE LYS A 20 6.431 11.806 -3.035 1.00 0.00 C ATOM 271 NZ LYS A 20 6.625 12.056 -4.481 1.00 0.00 N ATOM 0 H LYS A 20 1.315 8.757 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 20 3.210 8.899 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.391 10.214 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.166 11.242 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.017 12.300 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.822 11.086 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.764 10.034 -2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.375 10.050 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.076 12.714 -2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.384 11.548 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.310 12.828 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.985 11.193 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.717 12.323 -4.912 1.00 0.00 H new ATOM 285 N ALA A 21 1.504 9.256 -0.355 1.00 0.00 N ATOM 286 CA ALA A 21 0.551 9.527 0.708 1.00 0.00 C ATOM 287 C ALA A 21 0.215 11.019 0.718 1.00 0.00 C ATOM 288 O ALA A 21 0.749 11.785 -0.083 1.00 0.00 O ATOM 289 CB ALA A 21 1.127 9.050 2.043 1.00 0.00 C ATOM 0 H ALA A 21 2.322 8.719 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.378 8.982 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.413 9.253 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.321 7.979 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.058 9.578 2.247 1.00 0.00 H new ATOM 295 N GLU A 22 -0.670 11.388 1.633 1.00 0.00 N ATOM 296 CA GLU A 22 -1.084 12.775 1.758 1.00 0.00 C ATOM 297 C GLU A 22 -2.082 12.930 2.906 1.00 0.00 C ATOM 298 O GLU A 22 -2.062 13.931 3.621 1.00 0.00 O ATOM 299 CB GLU A 22 -1.675 13.291 0.444 1.00 0.00 C ATOM 300 CG GLU A 22 -2.713 12.314 -0.111 1.00 0.00 C ATOM 301 CD GLU A 22 -2.669 12.278 -1.640 1.00 0.00 C ATOM 302 OE1 GLU A 22 -1.876 11.467 -2.166 1.00 0.00 O ATOM 303 OE2 GLU A 22 -3.429 13.062 -2.248 1.00 0.00 O ATOM 0 H GLU A 22 -1.112 10.750 2.295 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.204 13.377 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.137 14.265 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.878 13.434 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.527 11.316 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.709 12.608 0.221 1.00 0.00 H new ATOM 310 N HIS A 23 -2.933 11.924 3.048 1.00 0.00 N ATOM 311 CA HIS A 23 -3.938 11.936 4.098 1.00 0.00 C ATOM 312 C HIS A 23 -3.251 11.950 5.465 1.00 0.00 C ATOM 313 O HIS A 23 -2.050 12.198 5.558 1.00 0.00 O ATOM 314 CB HIS A 23 -4.908 10.764 3.934 1.00 0.00 C ATOM 315 CG HIS A 23 -6.295 11.036 4.466 1.00 0.00 C ATOM 316 ND1 HIS A 23 -6.774 10.471 5.635 1.00 0.00 N ATOM 317 CD2 HIS A 23 -7.299 11.820 3.978 1.00 0.00 C ATOM 318 CE1 HIS A 23 -8.012 10.901 5.831 1.00 0.00 C ATOM 319 NE2 HIS A 23 -8.335 11.736 4.802 1.00 0.00 N ATOM 0 H HIS A 23 -2.947 11.095 2.453 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.538 12.843 4.022 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.979 10.510 2.876 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.498 9.892 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.257 12.409 3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.652 10.637 6.660 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.227 12.217 4.685 1.00 0.00 H new ATOM 327 N ASP A 24 -4.044 11.681 6.492 1.00 0.00 N ATOM 328 CA ASP A 24 -3.527 11.661 7.850 1.00 0.00 C ATOM 329 C ASP A 24 -3.445 10.213 8.338 1.00 0.00 C ATOM 330 O ASP A 24 -2.901 9.944 9.408 1.00 0.00 O ATOM 331 CB ASP A 24 -4.448 12.429 8.801 1.00 0.00 C ATOM 332 CG ASP A 24 -3.840 12.754 10.167 1.00 0.00 C ATOM 333 OD1 ASP A 24 -2.674 12.357 10.379 1.00 0.00 O ATOM 334 OD2 ASP A 24 -4.555 13.394 10.969 1.00 0.00 O ATOM 0 H ASP A 24 -5.040 11.475 6.411 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.543 12.130 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.745 13.361 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.356 11.846 8.954 1.00 0.00 H new ATOM 339 N SER A 25 -3.994 9.318 7.530 1.00 0.00 N ATOM 340 CA SER A 25 -3.990 7.904 7.866 1.00 0.00 C ATOM 341 C SER A 25 -3.669 7.072 6.623 1.00 0.00 C ATOM 342 O SER A 25 -4.180 5.964 6.464 1.00 0.00 O ATOM 343 CB SER A 25 -5.333 7.475 8.460 1.00 0.00 C ATOM 344 OG SER A 25 -5.179 6.851 9.732 1.00 0.00 O ATOM 0 H SER A 25 -4.445 9.544 6.643 1.00 0.00 H new ATOM 0 HA SER A 25 -3.220 7.733 8.618 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.980 8.346 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.829 6.786 7.776 1.00 0.00 H new ATOM 0 HG SER A 25 -6.059 6.593 10.079 1.00 0.00 H new ATOM 350 N GLU A 26 -2.825 7.638 5.773 1.00 0.00 N ATOM 351 CA GLU A 26 -2.430 6.962 4.548 1.00 0.00 C ATOM 352 C GLU A 26 -0.961 6.542 4.624 1.00 0.00 C ATOM 353 O GLU A 26 -0.232 6.977 5.515 1.00 0.00 O ATOM 354 CB GLU A 26 -2.686 7.846 3.327 1.00 0.00 C ATOM 355 CG GLU A 26 -4.073 7.582 2.739 1.00 0.00 C ATOM 356 CD GLU A 26 -4.223 8.243 1.367 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.173 8.618 0.800 1.00 0.00 O ATOM 358 OE2 GLU A 26 -5.383 8.359 0.916 1.00 0.00 O ATOM 0 H GLU A 26 -2.404 8.557 5.908 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.039 6.064 4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.601 8.895 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.924 7.656 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.235 6.508 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.837 7.964 3.416 1.00 0.00 H new ATOM 365 N LEU A 27 -0.569 5.702 3.677 1.00 0.00 N ATOM 366 CA LEU A 27 0.800 5.219 3.625 1.00 0.00 C ATOM 367 C LEU A 27 1.394 5.528 2.249 1.00 0.00 C ATOM 368 O LEU A 27 0.674 5.560 1.252 1.00 0.00 O ATOM 369 CB LEU A 27 0.861 3.737 4.003 1.00 0.00 C ATOM 370 CG LEU A 27 0.285 3.370 5.372 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.223 1.852 5.551 1.00 0.00 C ATOM 372 CD2 LEU A 27 1.069 4.048 6.497 1.00 0.00 C ATOM 0 H LEU A 27 -1.176 5.344 2.940 1.00 0.00 H new ATOM 0 HA LEU A 27 1.414 5.737 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.329 3.166 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.902 3.417 3.971 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.738 3.743 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.190 1.618 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.412 1.420 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.227 1.435 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.639 3.770 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.110 3.728 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.018 5.130 6.375 1.00 0.00 H new ATOM 384 N SER A 28 2.701 5.746 2.239 1.00 0.00 N ATOM 385 CA SER A 28 3.399 6.051 1.002 1.00 0.00 C ATOM 386 C SER A 28 4.429 4.961 0.700 1.00 0.00 C ATOM 387 O SER A 28 5.174 4.544 1.585 1.00 0.00 O ATOM 388 CB SER A 28 4.081 7.419 1.077 1.00 0.00 C ATOM 389 OG SER A 28 5.250 7.389 1.890 1.00 0.00 O ATOM 0 H SER A 28 3.295 5.717 3.068 1.00 0.00 H new ATOM 0 HA SER A 28 2.667 6.084 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.347 7.747 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.380 8.152 1.477 1.00 0.00 H new ATOM 0 HG SER A 28 5.657 8.280 1.911 1.00 0.00 H new ATOM 395 N PHE A 29 4.437 4.530 -0.553 1.00 0.00 N ATOM 396 CA PHE A 29 5.363 3.496 -0.983 1.00 0.00 C ATOM 397 C PHE A 29 5.572 3.543 -2.498 1.00 0.00 C ATOM 398 O PHE A 29 4.995 4.386 -3.182 1.00 0.00 O ATOM 399 CB PHE A 29 4.737 2.151 -0.608 1.00 0.00 C ATOM 400 CG PHE A 29 3.245 2.048 -0.929 1.00 0.00 C ATOM 401 CD1 PHE A 29 2.840 1.775 -2.198 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.323 2.229 0.055 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.455 1.679 -2.496 1.00 0.00 C ATOM 404 CE2 PHE A 29 0.938 2.133 -0.243 1.00 0.00 C ATOM 405 CZ PHE A 29 0.533 1.860 -1.512 1.00 0.00 C ATOM 0 H PHE A 29 3.817 4.878 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 29 6.332 3.642 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.267 1.356 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.881 1.980 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.572 1.631 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.645 2.446 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.133 1.462 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.206 2.277 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.520 1.787 -1.739 1.00 0.00 H new ATOM 415 N THR A 30 6.400 2.626 -2.977 1.00 0.00 N ATOM 416 CA THR A 30 6.693 2.552 -4.398 1.00 0.00 C ATOM 417 C THR A 30 6.395 1.149 -4.932 1.00 0.00 C ATOM 418 O THR A 30 6.568 0.161 -4.220 1.00 0.00 O ATOM 419 CB THR A 30 8.145 2.985 -4.605 1.00 0.00 C ATOM 420 OG1 THR A 30 8.883 2.169 -3.699 1.00 0.00 O ATOM 421 CG2 THR A 30 8.406 4.412 -4.118 1.00 0.00 C ATOM 0 H THR A 30 6.877 1.928 -2.406 1.00 0.00 H new ATOM 0 HA THR A 30 6.054 3.225 -4.969 1.00 0.00 H new ATOM 0 HB THR A 30 8.398 2.910 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.837 2.383 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.451 4.669 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.768 5.106 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.185 4.479 -3.053 1.00 0.00 H new ATOM 429 N ALA A 31 5.953 1.107 -6.180 1.00 0.00 N ATOM 430 CA ALA A 31 5.630 -0.159 -6.817 1.00 0.00 C ATOM 431 C ALA A 31 6.699 -1.193 -6.457 1.00 0.00 C ATOM 432 O ALA A 31 7.885 -0.975 -6.699 1.00 0.00 O ATOM 433 CB ALA A 31 5.504 0.048 -8.328 1.00 0.00 C ATOM 0 H ALA A 31 5.811 1.929 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 31 4.672 -0.536 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.262 -0.901 -8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.713 0.769 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.448 0.423 -8.724 1.00 0.00 H new ATOM 439 N GLY A 32 6.240 -2.297 -5.886 1.00 0.00 N ATOM 440 CA GLY A 32 7.141 -3.365 -5.490 1.00 0.00 C ATOM 441 C GLY A 32 7.233 -3.470 -3.967 1.00 0.00 C ATOM 442 O GLY A 32 7.593 -4.518 -3.433 1.00 0.00 O ATOM 0 H GLY A 32 5.255 -2.475 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.792 -4.312 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.132 -3.182 -5.906 1.00 0.00 H new ATOM 446 N THR A 33 6.901 -2.368 -3.309 1.00 0.00 N ATOM 447 CA THR A 33 6.942 -2.322 -1.858 1.00 0.00 C ATOM 448 C THR A 33 6.004 -3.375 -1.264 1.00 0.00 C ATOM 449 O THR A 33 4.834 -3.450 -1.637 1.00 0.00 O ATOM 450 CB THR A 33 6.608 -0.895 -1.420 1.00 0.00 C ATOM 451 OG1 THR A 33 7.750 -0.136 -1.809 1.00 0.00 O ATOM 452 CG2 THR A 33 6.561 -0.745 0.102 1.00 0.00 C ATOM 0 H THR A 33 6.603 -1.501 -3.755 1.00 0.00 H new ATOM 0 HA THR A 33 7.935 -2.568 -1.483 1.00 0.00 H new ATOM 0 HB THR A 33 5.647 -0.601 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.659 0.135 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.320 0.287 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.798 -1.408 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.532 -1.007 0.524 1.00 0.00 H new ATOM 460 N VAL A 34 6.552 -4.163 -0.351 1.00 0.00 N ATOM 461 CA VAL A 34 5.779 -5.208 0.298 1.00 0.00 C ATOM 462 C VAL A 34 5.376 -4.744 1.699 1.00 0.00 C ATOM 463 O VAL A 34 6.202 -4.218 2.443 1.00 0.00 O ATOM 464 CB VAL A 34 6.572 -6.517 0.306 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.907 -7.555 1.213 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.748 -7.061 -1.113 1.00 0.00 C ATOM 0 H VAL A 34 7.523 -4.099 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 34 4.861 -5.403 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 34 7.563 -6.306 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.490 -8.476 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.858 -7.170 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.899 -7.760 0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.315 -7.991 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.769 -7.249 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.285 -6.331 -1.718 1.00 0.00 H new ATOM 476 N PHE A 35 4.107 -4.956 2.016 1.00 0.00 N ATOM 477 CA PHE A 35 3.585 -4.565 3.314 1.00 0.00 C ATOM 478 C PHE A 35 3.490 -5.771 4.252 1.00 0.00 C ATOM 479 O PHE A 35 3.338 -6.904 3.798 1.00 0.00 O ATOM 480 CB PHE A 35 2.181 -4.004 3.081 1.00 0.00 C ATOM 481 CG PHE A 35 2.126 -2.872 2.053 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.342 -1.588 2.443 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.861 -3.152 0.748 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.291 -0.538 1.488 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.810 -2.102 -0.206 1.00 0.00 C ATOM 486 CZ PHE A 35 2.026 -0.817 0.184 1.00 0.00 C ATOM 0 H PHE A 35 3.425 -5.394 1.396 1.00 0.00 H new ATOM 0 HA PHE A 35 4.245 -3.830 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.528 -4.812 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.784 -3.640 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.552 -1.366 3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.690 -4.172 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.463 0.482 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.600 -2.324 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.987 -0.018 -0.542 1.00 0.00 H new ATOM 496 N ASP A 36 3.585 -5.485 5.542 1.00 0.00 N ATOM 497 CA ASP A 36 3.512 -6.532 6.548 1.00 0.00 C ATOM 498 C ASP A 36 2.092 -6.590 7.115 1.00 0.00 C ATOM 499 O ASP A 36 1.434 -5.560 7.258 1.00 0.00 O ATOM 500 CB ASP A 36 4.472 -6.252 7.705 1.00 0.00 C ATOM 501 CG ASP A 36 5.787 -7.032 7.658 1.00 0.00 C ATOM 502 OD1 ASP A 36 5.720 -8.267 7.840 1.00 0.00 O ATOM 503 OD2 ASP A 36 6.829 -6.377 7.441 1.00 0.00 O ATOM 0 H ASP A 36 3.712 -4.544 5.914 1.00 0.00 H new ATOM 0 HA ASP A 36 3.784 -7.475 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.700 -5.186 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.964 -6.481 8.642 1.00 0.00 H new ATOM 508 N ASN A 37 1.661 -7.804 7.422 1.00 0.00 N ATOM 509 CA ASN A 37 0.331 -8.010 7.970 1.00 0.00 C ATOM 510 C ASN A 37 -0.660 -7.094 7.250 1.00 0.00 C ATOM 511 O ASN A 37 -0.962 -6.002 7.729 1.00 0.00 O ATOM 512 CB ASN A 37 0.291 -7.670 9.461 1.00 0.00 C ATOM 513 CG ASN A 37 -0.695 -8.574 10.204 1.00 0.00 C ATOM 514 OD1 ASN A 37 -1.387 -9.392 9.620 1.00 0.00 O ATOM 515 ND2 ASN A 37 -0.720 -8.382 11.519 1.00 0.00 N ATOM 0 H ASN A 37 2.209 -8.656 7.302 1.00 0.00 H new ATOM 0 HA ASN A 37 0.068 -9.059 7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.287 -7.782 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.003 -6.627 9.592 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.345 -8.937 12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.114 -7.680 11.944 1.00 0.00 H new ATOM 522 N VAL A 38 -1.139 -7.572 6.111 1.00 0.00 N ATOM 523 CA VAL A 38 -2.090 -6.810 5.320 1.00 0.00 C ATOM 524 C VAL A 38 -3.509 -7.278 5.645 1.00 0.00 C ATOM 525 O VAL A 38 -3.725 -8.450 5.953 1.00 0.00 O ATOM 526 CB VAL A 38 -1.747 -6.928 3.833 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.860 -6.336 2.966 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.402 -6.266 3.526 1.00 0.00 C ATOM 0 H VAL A 38 -0.886 -8.478 5.717 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.032 -5.751 5.570 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.661 -7.987 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.592 -6.432 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.791 -6.871 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.991 -5.282 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.182 -6.364 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.447 -5.210 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.383 -6.752 4.105 1.00 0.00 H new ATOM 538 N HIS A 39 -4.441 -6.340 5.567 1.00 0.00 N ATOM 539 CA HIS A 39 -5.834 -6.642 5.849 1.00 0.00 C ATOM 540 C HIS A 39 -6.710 -5.457 5.437 1.00 0.00 C ATOM 541 O HIS A 39 -6.224 -4.334 5.314 1.00 0.00 O ATOM 542 CB HIS A 39 -6.018 -7.033 7.317 1.00 0.00 C ATOM 543 CG HIS A 39 -5.582 -5.968 8.296 1.00 0.00 C ATOM 544 ND1 HIS A 39 -4.892 -6.258 9.460 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.744 -4.614 8.270 1.00 0.00 C ATOM 546 CE1 HIS A 39 -4.656 -5.121 10.099 1.00 0.00 C ATOM 547 NE2 HIS A 39 -5.185 -4.104 9.361 1.00 0.00 N ATOM 0 H HIS A 39 -4.259 -5.369 5.312 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.149 -7.504 5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.069 -7.264 7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.454 -7.945 7.513 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.613 -7.188 9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.242 -4.052 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.136 -5.018 11.040 1.00 0.00 H new ATOM 555 N PRO A 40 -8.020 -5.757 5.229 1.00 0.00 N ATOM 556 CA PRO A 40 -8.968 -4.730 4.833 1.00 0.00 C ATOM 557 C PRO A 40 -9.327 -3.828 6.016 1.00 0.00 C ATOM 558 O PRO A 40 -9.919 -4.285 6.992 1.00 0.00 O ATOM 559 CB PRO A 40 -10.164 -5.490 4.282 1.00 0.00 C ATOM 560 CG PRO A 40 -10.038 -6.908 4.815 1.00 0.00 C ATOM 561 CD PRO A 40 -8.631 -7.076 5.365 1.00 0.00 C ATOM 0 HA PRO A 40 -8.563 -4.052 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.100 -5.033 4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.164 -5.481 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.777 -7.090 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.227 -7.632 4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.649 -7.399 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.075 -7.829 4.807 1.00 0.00 H new ATOM 569 N SER A 41 -8.952 -2.564 5.890 1.00 0.00 N ATOM 570 CA SER A 41 -9.226 -1.594 6.937 1.00 0.00 C ATOM 571 C SER A 41 -10.734 -1.498 7.179 1.00 0.00 C ATOM 572 O SER A 41 -11.463 -2.467 6.971 1.00 0.00 O ATOM 573 CB SER A 41 -8.658 -0.220 6.577 1.00 0.00 C ATOM 574 OG SER A 41 -8.391 0.567 7.735 1.00 0.00 O ATOM 0 H SER A 41 -8.461 -2.189 5.079 1.00 0.00 H new ATOM 0 HA SER A 41 -8.738 -1.931 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.739 -0.346 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.364 0.307 5.935 1.00 0.00 H new ATOM 0 HG SER A 41 -8.478 0.010 8.536 1.00 0.00 H new ATOM 580 N GLN A 42 -11.157 -0.321 7.616 1.00 0.00 N ATOM 581 CA GLN A 42 -12.565 -0.086 7.889 1.00 0.00 C ATOM 582 C GLN A 42 -13.220 0.641 6.713 1.00 0.00 C ATOM 583 O GLN A 42 -14.445 0.716 6.630 1.00 0.00 O ATOM 584 CB GLN A 42 -12.747 0.699 9.190 1.00 0.00 C ATOM 585 CG GLN A 42 -14.053 0.310 9.886 1.00 0.00 C ATOM 586 CD GLN A 42 -15.140 1.358 9.637 1.00 0.00 C ATOM 587 OE1 GLN A 42 -14.934 2.357 8.968 1.00 0.00 O ATOM 588 NE2 GLN A 42 -16.306 1.075 10.210 1.00 0.00 N ATOM 0 H GLN A 42 -10.550 0.480 7.788 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.057 -1.051 8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.905 0.508 9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.748 1.768 8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.388 -0.661 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.881 0.206 10.957 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.411 0.221 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.095 1.712 10.102 1.00 0.00 H new ATOM 597 N GLU A 43 -12.374 1.158 5.834 1.00 0.00 N ATOM 598 CA GLU A 43 -12.855 1.877 4.667 1.00 0.00 C ATOM 599 C GLU A 43 -13.048 0.915 3.493 1.00 0.00 C ATOM 600 O GLU A 43 -12.348 -0.091 3.388 1.00 0.00 O ATOM 601 CB GLU A 43 -11.903 3.015 4.292 1.00 0.00 C ATOM 602 CG GLU A 43 -12.580 4.376 4.467 1.00 0.00 C ATOM 603 CD GLU A 43 -12.668 5.119 3.132 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.598 5.302 2.513 1.00 0.00 O ATOM 605 OE2 GLU A 43 -13.803 5.488 2.762 1.00 0.00 O ATOM 0 H GLU A 43 -11.359 1.093 5.907 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.820 2.321 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.010 2.967 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.578 2.897 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.580 4.239 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.020 4.975 5.185 1.00 0.00 H new ATOM 612 N PRO A 44 -14.027 1.266 2.617 1.00 0.00 N ATOM 613 CA PRO A 44 -14.321 0.444 1.455 1.00 0.00 C ATOM 614 C PRO A 44 -13.248 0.615 0.377 1.00 0.00 C ATOM 615 O PRO A 44 -13.000 1.727 -0.087 1.00 0.00 O ATOM 616 CB PRO A 44 -15.700 0.891 0.996 1.00 0.00 C ATOM 617 CG PRO A 44 -15.928 2.255 1.627 1.00 0.00 C ATOM 618 CD PRO A 44 -14.877 2.449 2.709 1.00 0.00 C ATOM 0 HA PRO A 44 -14.317 -0.622 1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.749 0.951 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.465 0.182 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.852 3.041 0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.930 2.316 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.304 3.362 2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.334 2.532 3.695 1.00 0.00 H new ATOM 626 N GLY A 45 -12.640 -0.504 0.011 1.00 0.00 N ATOM 627 CA GLY A 45 -11.599 -0.493 -1.003 1.00 0.00 C ATOM 628 C GLY A 45 -10.296 0.083 -0.444 1.00 0.00 C ATOM 629 O GLY A 45 -9.495 0.648 -1.187 1.00 0.00 O ATOM 0 H GLY A 45 -12.848 -1.424 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.427 -1.507 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.925 0.099 -1.858 1.00 0.00 H new ATOM 633 N TRP A 46 -10.125 -0.081 0.859 1.00 0.00 N ATOM 634 CA TRP A 46 -8.933 0.416 1.526 1.00 0.00 C ATOM 635 C TRP A 46 -8.398 -0.698 2.429 1.00 0.00 C ATOM 636 O TRP A 46 -9.164 -1.350 3.136 1.00 0.00 O ATOM 637 CB TRP A 46 -9.228 1.711 2.284 1.00 0.00 C ATOM 638 CG TRP A 46 -9.391 2.937 1.383 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.527 3.544 1.013 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.332 3.684 0.749 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.279 4.624 0.191 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.901 4.712 0.025 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.939 3.499 0.786 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.153 5.634 -0.717 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.205 4.429 0.040 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.763 5.469 -0.695 1.00 0.00 C ATOM 0 H TRP A 46 -10.792 -0.551 1.471 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.163 0.675 0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.139 1.579 2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.420 1.898 2.991 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.513 3.227 1.320 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.978 5.244 -0.219 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.472 2.702 1.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.623 6.430 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.129 4.332 0.035 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.127 6.146 -1.246 1.00 0.00 H new ATOM 657 N LEU A 47 -7.087 -0.881 2.376 1.00 0.00 N ATOM 658 CA LEU A 47 -6.441 -1.903 3.180 1.00 0.00 C ATOM 659 C LEU A 47 -5.618 -1.235 4.283 1.00 0.00 C ATOM 660 O LEU A 47 -5.234 -0.073 4.158 1.00 0.00 O ATOM 661 CB LEU A 47 -5.627 -2.848 2.293 1.00 0.00 C ATOM 662 CG LEU A 47 -6.333 -3.365 1.038 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.379 -4.190 0.173 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.598 -4.145 1.403 1.00 0.00 C ATOM 0 H LEU A 47 -6.455 -0.338 1.788 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.187 -2.527 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.716 -2.333 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.322 -3.705 2.893 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.645 -2.507 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.906 -4.545 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.535 -3.570 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.015 -5.043 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.081 -4.501 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.332 -4.996 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.283 -3.494 1.946 1.00 0.00 H new ATOM 676 N GLU A 48 -5.372 -1.997 5.339 1.00 0.00 N ATOM 677 CA GLU A 48 -4.602 -1.493 6.463 1.00 0.00 C ATOM 678 C GLU A 48 -3.449 -2.445 6.787 1.00 0.00 C ATOM 679 O GLU A 48 -3.664 -3.517 7.350 1.00 0.00 O ATOM 680 CB GLU A 48 -5.495 -1.277 7.686 1.00 0.00 C ATOM 681 CG GLU A 48 -4.804 -0.385 8.719 1.00 0.00 C ATOM 682 CD GLU A 48 -5.820 0.491 9.455 1.00 0.00 C ATOM 683 OE1 GLU A 48 -6.762 -0.095 10.032 1.00 0.00 O ATOM 684 OE2 GLU A 48 -5.632 1.726 9.424 1.00 0.00 O ATOM 0 H GLU A 48 -5.693 -2.960 5.440 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.181 -0.526 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.436 -0.821 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.740 -2.239 8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.265 -1.004 9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.066 0.246 8.224 1.00 0.00 H new ATOM 691 N GLY A 49 -2.250 -2.019 6.416 1.00 0.00 N ATOM 692 CA GLY A 49 -1.063 -2.820 6.659 1.00 0.00 C ATOM 693 C GLY A 49 -0.021 -2.030 7.453 1.00 0.00 C ATOM 694 O GLY A 49 -0.224 -0.854 7.752 1.00 0.00 O ATOM 0 H GLY A 49 -2.076 -1.129 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.335 -3.722 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.635 -3.140 5.709 1.00 0.00 H new ATOM 698 N THR A 50 1.072 -2.707 7.773 1.00 0.00 N ATOM 699 CA THR A 50 2.146 -2.082 8.526 1.00 0.00 C ATOM 700 C THR A 50 3.384 -1.907 7.644 1.00 0.00 C ATOM 701 O THR A 50 4.052 -2.883 7.305 1.00 0.00 O ATOM 702 CB THR A 50 2.403 -2.929 9.773 1.00 0.00 C ATOM 703 OG1 THR A 50 1.106 -3.369 10.168 1.00 0.00 O ATOM 704 CG2 THR A 50 2.891 -2.093 10.959 1.00 0.00 C ATOM 0 H THR A 50 1.237 -3.682 7.524 1.00 0.00 H new ATOM 0 HA THR A 50 1.871 -1.078 8.848 1.00 0.00 H new ATOM 0 HB THR A 50 3.141 -3.698 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.180 -3.927 10.970 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.058 -2.743 11.818 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.824 -1.595 10.694 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.139 -1.345 11.211 1.00 0.00 H new ATOM 712 N LEU A 51 3.653 -0.657 7.298 1.00 0.00 N ATOM 713 CA LEU A 51 4.800 -0.342 6.463 1.00 0.00 C ATOM 714 C LEU A 51 5.878 0.329 7.316 1.00 0.00 C ATOM 715 O LEU A 51 5.803 1.526 7.588 1.00 0.00 O ATOM 716 CB LEU A 51 4.368 0.488 5.252 1.00 0.00 C ATOM 717 CG LEU A 51 5.497 1.026 4.370 1.00 0.00 C ATOM 718 CD1 LEU A 51 5.988 -0.046 3.395 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.068 2.305 3.649 1.00 0.00 C ATOM 0 H LEU A 51 3.097 0.150 7.581 1.00 0.00 H new ATOM 0 HA LEU A 51 5.238 -1.254 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.710 -0.123 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.777 1.332 5.607 1.00 0.00 H new ATOM 0 HG LEU A 51 6.338 1.287 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.790 0.362 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.360 -0.904 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.164 -0.360 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.889 2.666 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.203 2.095 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.806 3.066 4.384 1.00 0.00 H new ATOM 731 N ASN A 52 6.856 -0.471 7.713 1.00 0.00 N ATOM 732 CA ASN A 52 7.949 0.030 8.529 1.00 0.00 C ATOM 733 C ASN A 52 7.387 0.586 9.840 1.00 0.00 C ATOM 734 O ASN A 52 7.293 1.800 10.014 1.00 0.00 O ATOM 735 CB ASN A 52 8.694 1.161 7.818 1.00 0.00 C ATOM 736 CG ASN A 52 9.661 0.606 6.770 1.00 0.00 C ATOM 737 OD1 ASN A 52 10.855 0.487 6.992 1.00 0.00 O ATOM 738 ND2 ASN A 52 9.081 0.275 5.620 1.00 0.00 N ATOM 0 H ASN A 52 6.915 -1.463 7.485 1.00 0.00 H new ATOM 0 HA ASN A 52 8.637 -0.795 8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.978 1.829 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.245 1.754 8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.641 -0.104 4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.076 0.401 5.501 1.00 0.00 H new ATOM 745 N GLY A 53 7.028 -0.330 10.728 1.00 0.00 N ATOM 746 CA GLY A 53 6.478 0.053 12.017 1.00 0.00 C ATOM 747 C GLY A 53 5.579 1.284 11.886 1.00 0.00 C ATOM 748 O GLY A 53 5.609 2.173 12.735 1.00 0.00 O ATOM 0 H GLY A 53 7.107 -1.336 10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.906 -0.776 12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.289 0.263 12.714 1.00 0.00 H new ATOM 752 N LYS A 54 4.799 1.296 10.815 1.00 0.00 N ATOM 753 CA LYS A 54 3.893 2.403 10.561 1.00 0.00 C ATOM 754 C LYS A 54 2.591 1.864 9.965 1.00 0.00 C ATOM 755 O LYS A 54 2.598 1.257 8.896 1.00 0.00 O ATOM 756 CB LYS A 54 4.573 3.465 9.694 1.00 0.00 C ATOM 757 CG LYS A 54 3.810 4.790 9.751 1.00 0.00 C ATOM 758 CD LYS A 54 4.427 5.819 8.801 1.00 0.00 C ATOM 759 CE LYS A 54 3.830 7.208 9.035 1.00 0.00 C ATOM 760 NZ LYS A 54 4.697 8.251 8.444 1.00 0.00 N ATOM 0 H LYS A 54 4.776 0.556 10.113 1.00 0.00 H new ATOM 0 HA LYS A 54 3.634 2.905 11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.597 3.616 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.628 3.117 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.766 4.624 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.822 5.177 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.506 5.854 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.256 5.515 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.835 7.261 8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.715 7.385 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.277 9.188 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.639 8.210 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.786 8.090 7.420 1.00 0.00 H new ATOM 774 N THR A 55 1.504 2.106 10.684 1.00 0.00 N ATOM 775 CA THR A 55 0.197 1.652 10.239 1.00 0.00 C ATOM 776 C THR A 55 -0.564 2.796 9.566 1.00 0.00 C ATOM 777 O THR A 55 -0.474 3.945 9.998 1.00 0.00 O ATOM 778 CB THR A 55 -0.535 1.064 11.447 1.00 0.00 C ATOM 779 OG1 THR A 55 -0.003 -0.253 11.568 1.00 0.00 O ATOM 780 CG2 THR A 55 -2.024 0.840 11.177 1.00 0.00 C ATOM 0 H THR A 55 1.502 2.610 11.571 1.00 0.00 H new ATOM 0 HA THR A 55 0.285 0.872 9.482 1.00 0.00 H new ATOM 0 HB THR A 55 -0.417 1.730 12.302 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.422 -0.706 12.329 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.496 0.422 12.066 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.496 1.791 10.929 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.143 0.148 10.343 1.00 0.00 H new ATOM 788 N GLY A 56 -1.295 2.443 8.520 1.00 0.00 N ATOM 789 CA GLY A 56 -2.071 3.425 7.783 1.00 0.00 C ATOM 790 C GLY A 56 -2.993 2.747 6.768 1.00 0.00 C ATOM 791 O GLY A 56 -3.085 1.521 6.729 1.00 0.00 O ATOM 0 H GLY A 56 -1.366 1.490 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.664 4.020 8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.400 4.112 7.268 1.00 0.00 H new ATOM 795 N LEU A 57 -3.654 3.574 5.970 1.00 0.00 N ATOM 796 CA LEU A 57 -4.565 3.069 4.958 1.00 0.00 C ATOM 797 C LEU A 57 -3.788 2.794 3.669 1.00 0.00 C ATOM 798 O LEU A 57 -2.768 3.430 3.408 1.00 0.00 O ATOM 799 CB LEU A 57 -5.744 4.027 4.772 1.00 0.00 C ATOM 800 CG LEU A 57 -6.648 4.222 5.991 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.786 5.195 5.679 1.00 0.00 C ATOM 802 CD2 LEU A 57 -7.167 2.879 6.509 1.00 0.00 C ATOM 0 H LEU A 57 -3.576 4.590 6.005 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.000 2.122 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.353 5.000 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.355 3.664 3.946 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.054 4.667 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.414 5.316 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.370 6.162 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.386 4.802 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.807 3.046 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.740 2.383 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.325 2.250 6.796 1.00 0.00 H new ATOM 814 N ILE A 58 -4.299 1.846 2.898 1.00 0.00 N ATOM 815 CA ILE A 58 -3.666 1.479 1.643 1.00 0.00 C ATOM 816 C ILE A 58 -4.743 1.234 0.585 1.00 0.00 C ATOM 817 O ILE A 58 -5.765 0.611 0.867 1.00 0.00 O ATOM 818 CB ILE A 58 -2.722 0.292 1.846 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.676 0.600 2.919 1.00 0.00 C ATOM 820 CG2 ILE A 58 -2.080 -0.131 0.523 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.932 -0.669 3.340 1.00 0.00 C ATOM 0 H ILE A 58 -5.145 1.320 3.118 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.042 2.295 1.279 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.309 -0.554 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.965 1.333 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.161 1.046 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.414 -0.976 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.858 -0.421 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.510 0.702 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.194 -0.422 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.643 -1.391 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.428 -1.099 2.475 1.00 0.00 H new ATOM 833 N PRO A 59 -4.471 1.751 -0.643 1.00 0.00 N ATOM 834 CA PRO A 59 -5.405 1.595 -1.745 1.00 0.00 C ATOM 835 C PRO A 59 -5.367 0.169 -2.298 1.00 0.00 C ATOM 836 O PRO A 59 -4.396 -0.225 -2.943 1.00 0.00 O ATOM 837 CB PRO A 59 -4.987 2.640 -2.766 1.00 0.00 C ATOM 838 CG PRO A 59 -3.561 3.026 -2.409 1.00 0.00 C ATOM 839 CD PRO A 59 -3.271 2.495 -1.014 1.00 0.00 C ATOM 0 HA PRO A 59 -6.441 1.746 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.041 2.240 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.647 3.507 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.860 2.607 -3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.440 4.109 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.390 1.853 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.077 3.307 -0.314 1.00 0.00 H new ATOM 847 N GLU A 60 -6.435 -0.566 -2.027 1.00 0.00 N ATOM 848 CA GLU A 60 -6.536 -1.940 -2.490 1.00 0.00 C ATOM 849 C GLU A 60 -6.306 -2.009 -4.001 1.00 0.00 C ATOM 850 O GLU A 60 -5.928 -3.054 -4.528 1.00 0.00 O ATOM 851 CB GLU A 60 -7.888 -2.548 -2.113 1.00 0.00 C ATOM 852 CG GLU A 60 -8.230 -3.731 -3.020 1.00 0.00 C ATOM 853 CD GLU A 60 -9.175 -4.707 -2.316 1.00 0.00 C ATOM 854 OE1 GLU A 60 -10.154 -4.215 -1.715 1.00 0.00 O ATOM 855 OE2 GLU A 60 -8.897 -5.923 -2.396 1.00 0.00 O ATOM 0 H GLU A 60 -7.239 -0.236 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.761 -2.527 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.866 -2.877 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.666 -1.789 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.694 -3.368 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.315 -4.249 -3.308 1.00 0.00 H new ATOM 862 N ASN A 61 -6.544 -0.882 -4.656 1.00 0.00 N ATOM 863 CA ASN A 61 -6.367 -0.801 -6.096 1.00 0.00 C ATOM 864 C ASN A 61 -4.921 -0.412 -6.407 1.00 0.00 C ATOM 865 O ASN A 61 -4.621 0.048 -7.508 1.00 0.00 O ATOM 866 CB ASN A 61 -7.284 0.261 -6.704 1.00 0.00 C ATOM 867 CG ASN A 61 -7.165 1.586 -5.949 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.564 1.715 -4.803 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.596 2.561 -6.652 1.00 0.00 N ATOM 0 H ASN A 61 -6.858 -0.017 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.611 -1.775 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.027 0.412 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.317 -0.086 -6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.471 3.484 -6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.284 2.386 -7.607 1.00 0.00 H new ATOM 876 N TYR A 62 -4.062 -0.611 -5.418 1.00 0.00 N ATOM 877 CA TYR A 62 -2.654 -0.287 -5.572 1.00 0.00 C ATOM 878 C TYR A 62 -1.773 -1.320 -4.867 1.00 0.00 C ATOM 879 O TYR A 62 -0.619 -1.041 -4.546 1.00 0.00 O ATOM 880 CB TYR A 62 -2.459 1.075 -4.902 1.00 0.00 C ATOM 881 CG TYR A 62 -2.047 2.189 -5.866 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.883 2.549 -6.903 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.838 2.834 -5.698 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.495 3.598 -7.810 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.450 3.883 -6.606 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.297 4.213 -7.616 1.00 0.00 C ATOM 887 OH TYR A 62 -0.930 5.204 -8.473 1.00 0.00 O ATOM 0 H TYR A 62 -4.314 -0.993 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.375 -0.278 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.387 1.361 -4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.700 0.981 -4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.829 2.044 -7.034 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.183 2.552 -4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.140 3.890 -8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.493 4.396 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.052 5.553 -8.213 1.00 0.00 H new ATOM 897 N VAL A 63 -2.351 -2.492 -4.647 1.00 0.00 N ATOM 898 CA VAL A 63 -1.632 -3.568 -3.986 1.00 0.00 C ATOM 899 C VAL A 63 -1.909 -4.884 -4.715 1.00 0.00 C ATOM 900 O VAL A 63 -2.786 -4.948 -5.576 1.00 0.00 O ATOM 901 CB VAL A 63 -2.009 -3.615 -2.504 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.408 -2.430 -1.747 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.528 -3.666 -2.325 1.00 0.00 C ATOM 0 H VAL A 63 -3.309 -2.720 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.557 -3.393 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.591 -4.529 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.692 -2.488 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.322 -2.457 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.782 -1.499 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.768 -3.699 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.977 -2.779 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.922 -4.557 -2.814 1.00 0.00 H new ATOM 913 N GLU A 64 -1.145 -5.901 -4.345 1.00 0.00 N ATOM 914 CA GLU A 64 -1.297 -7.212 -4.954 1.00 0.00 C ATOM 915 C GLU A 64 -0.905 -8.307 -3.960 1.00 0.00 C ATOM 916 O GLU A 64 0.240 -8.756 -3.945 1.00 0.00 O ATOM 917 CB GLU A 64 -0.475 -7.318 -6.239 1.00 0.00 C ATOM 918 CG GLU A 64 -0.212 -8.781 -6.603 1.00 0.00 C ATOM 919 CD GLU A 64 -0.270 -8.987 -8.118 1.00 0.00 C ATOM 920 OE1 GLU A 64 0.613 -8.425 -8.802 1.00 0.00 O ATOM 921 OE2 GLU A 64 -1.195 -9.703 -8.559 1.00 0.00 O ATOM 0 H GLU A 64 -0.419 -5.844 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.345 -7.348 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.004 -6.826 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.473 -6.795 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.766 -9.083 -6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.950 -9.419 -6.117 1.00 0.00 H new ATOM 928 N PHE A 65 -1.878 -8.706 -3.153 1.00 0.00 N ATOM 929 CA PHE A 65 -1.648 -9.740 -2.159 1.00 0.00 C ATOM 930 C PHE A 65 -0.751 -10.847 -2.716 1.00 0.00 C ATOM 931 O PHE A 65 -0.962 -11.320 -3.831 1.00 0.00 O ATOM 932 CB PHE A 65 -3.014 -10.334 -1.809 1.00 0.00 C ATOM 933 CG PHE A 65 -3.831 -9.485 -0.832 1.00 0.00 C ATOM 934 CD1 PHE A 65 -4.648 -8.505 -1.303 1.00 0.00 C ATOM 935 CD2 PHE A 65 -3.739 -9.710 0.506 1.00 0.00 C ATOM 936 CE1 PHE A 65 -5.406 -7.717 -0.397 1.00 0.00 C ATOM 937 CE2 PHE A 65 -4.497 -8.922 1.412 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.314 -7.942 0.941 1.00 0.00 C ATOM 0 H PHE A 65 -2.827 -8.332 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.153 -9.314 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.587 -10.466 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.868 -11.325 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.720 -8.326 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.090 -10.488 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.055 -6.939 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.425 -9.101 2.475 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.890 -7.342 1.630 1.00 0.00 H new ATOM 948 N LEU A 66 0.232 -11.228 -1.913 1.00 0.00 N ATOM 949 CA LEU A 66 1.162 -12.270 -2.311 1.00 0.00 C ATOM 950 C LEU A 66 0.753 -13.591 -1.656 1.00 0.00 C ATOM 951 O LEU A 66 1.176 -13.891 -0.541 1.00 0.00 O ATOM 952 CB LEU A 66 2.601 -11.851 -2.004 1.00 0.00 C ATOM 953 CG LEU A 66 2.959 -10.397 -2.322 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.704 -9.748 -1.154 1.00 0.00 C ATOM 955 CD2 LEU A 66 3.746 -10.300 -3.630 1.00 0.00 C ATOM 0 H LEU A 66 0.404 -10.833 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 66 1.123 -12.423 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.792 -12.028 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.275 -12.501 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 66 2.033 -9.839 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.947 -8.716 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.073 -9.766 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.624 -10.299 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.988 -9.257 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.667 -10.876 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.144 -10.698 -4.447 1.00 0.00 H new ATOM 967 N SER A 67 -0.065 -14.344 -2.377 1.00 0.00 N ATOM 968 CA SER A 67 -0.535 -15.625 -1.879 1.00 0.00 C ATOM 969 C SER A 67 -0.926 -16.530 -3.050 1.00 0.00 C ATOM 970 O SER A 67 -1.353 -16.046 -4.097 1.00 0.00 O ATOM 971 CB SER A 67 -1.721 -15.445 -0.929 1.00 0.00 C ATOM 972 OG SER A 67 -1.611 -16.273 0.225 1.00 0.00 O ATOM 0 H SER A 67 -0.414 -14.091 -3.302 1.00 0.00 H new ATOM 0 HA SER A 67 0.276 -16.093 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.784 -14.401 -0.622 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.646 -15.678 -1.456 1.00 0.00 H new ATOM 0 HG SER A 67 -2.386 -16.128 0.807 1.00 0.00 H new ATOM 978 N GLY A 68 -0.766 -17.827 -2.833 1.00 0.00 N ATOM 979 CA GLY A 68 -1.097 -18.803 -3.857 1.00 0.00 C ATOM 980 C GLY A 68 -1.933 -19.946 -3.276 1.00 0.00 C ATOM 981 O GLY A 68 -2.397 -19.864 -2.140 1.00 0.00 O ATOM 0 H GLY A 68 -0.412 -18.225 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.648 -18.318 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.181 -19.203 -4.293 1.00 0.00 H new ATOM 985 N PRO A 69 -2.104 -21.011 -4.104 1.00 0.00 N ATOM 986 CA PRO A 69 -2.876 -22.168 -3.684 1.00 0.00 C ATOM 987 C PRO A 69 -2.087 -23.023 -2.690 1.00 0.00 C ATOM 988 O PRO A 69 -1.770 -24.177 -2.973 1.00 0.00 O ATOM 989 CB PRO A 69 -3.208 -22.907 -4.970 1.00 0.00 C ATOM 990 CG PRO A 69 -2.224 -22.397 -6.010 1.00 0.00 C ATOM 991 CD PRO A 69 -1.569 -21.142 -5.456 1.00 0.00 C ATOM 0 HA PRO A 69 -3.786 -21.895 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.112 -23.985 -4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.236 -22.714 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.472 -23.155 -6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.737 -22.178 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.483 -21.234 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.809 -20.269 -6.063 1.00 0.00 H new ATOM 999 N SER A 70 -1.792 -22.423 -1.546 1.00 0.00 N ATOM 1000 CA SER A 70 -1.046 -23.114 -0.509 1.00 0.00 C ATOM 1001 C SER A 70 -1.952 -24.118 0.207 1.00 0.00 C ATOM 1002 O SER A 70 -3.132 -23.849 0.425 1.00 0.00 O ATOM 1003 CB SER A 70 -0.452 -22.125 0.496 1.00 0.00 C ATOM 1004 OG SER A 70 0.616 -22.699 1.244 1.00 0.00 O ATOM 0 H SER A 70 -2.056 -21.465 -1.315 1.00 0.00 H new ATOM 0 HA SER A 70 -0.222 -23.649 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.091 -21.243 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.233 -21.789 1.178 1.00 0.00 H new ATOM 0 HG SER A 70 0.969 -22.035 1.873 1.00 0.00 H new ATOM 1010 N SER A 71 -1.365 -25.254 0.553 1.00 0.00 N ATOM 1011 CA SER A 71 -2.105 -26.300 1.240 1.00 0.00 C ATOM 1012 C SER A 71 -1.162 -27.109 2.132 1.00 0.00 C ATOM 1013 O SER A 71 0.058 -27.002 2.010 1.00 0.00 O ATOM 1014 CB SER A 71 -2.813 -27.220 0.243 1.00 0.00 C ATOM 1015 OG SER A 71 -1.939 -28.221 -0.273 1.00 0.00 O ATOM 0 H SER A 71 -0.386 -25.474 0.371 1.00 0.00 H new ATOM 0 HA SER A 71 -2.866 -25.828 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.663 -27.697 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.210 -26.626 -0.580 1.00 0.00 H new ATOM 0 HG SER A 71 -2.428 -28.789 -0.904 1.00 0.00 H new ATOM 1021 N GLY A 72 -1.762 -27.900 3.009 1.00 0.00 N ATOM 1022 CA GLY A 72 -0.990 -28.727 3.921 1.00 0.00 C ATOM 1023 C GLY A 72 -1.909 -29.572 4.806 1.00 0.00 C ATOM 1024 O GLY A 72 -1.769 -29.574 6.028 1.00 0.00 O ATOM 0 H GLY A 72 -2.774 -27.986 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.326 -29.379 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.359 -28.095 4.545 1.00 0.00 H new TER 1028 GLY A 72