USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 426 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 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 28:sc= 0.0654 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 140:sc= -0.139 USER MOD Single : A 19 MET CE :methyl -159:sc= -0.261 (180deg=-0.324) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.0679 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc=-0.000164 X(o=-0.00016,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -125:sc= -1.57! (180deg=-5.34!) USER MOD Single : A 48 HIS : no HE2:sc= -10.1! C(o=-10!,f=-13!) USER MOD Single : A 59 SER OG : rot 36:sc= 0.79 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.072 4.660 -17.937 1.00 0.00 N ATOM 2 CA GLY A 1 19.681 4.675 -18.358 1.00 0.00 C ATOM 3 C GLY A 1 18.779 5.226 -17.251 1.00 0.00 C ATOM 4 O GLY A 1 18.848 6.409 -16.921 1.00 0.00 O ATOM 0 H1 GLY A 1 21.663 4.282 -18.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.376 5.628 -17.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.173 4.059 -17.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.575 5.285 -19.255 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.366 3.665 -18.620 1.00 0.00 H new ATOM 8 N SER A 2 17.955 4.342 -16.709 1.00 0.00 N ATOM 9 CA SER A 2 17.040 4.724 -15.647 1.00 0.00 C ATOM 10 C SER A 2 17.804 4.879 -14.330 1.00 0.00 C ATOM 11 O SER A 2 17.868 3.944 -13.532 1.00 0.00 O ATOM 12 CB SER A 2 15.916 3.698 -15.491 1.00 0.00 C ATOM 13 OG SER A 2 14.708 4.132 -16.110 1.00 0.00 O ATOM 0 H SER A 2 17.902 3.362 -16.985 1.00 0.00 H new ATOM 0 HA SER A 2 16.587 5.679 -15.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.227 2.750 -15.929 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.736 3.516 -14.432 1.00 0.00 H new ATOM 0 HG SER A 2 14.015 3.449 -15.990 1.00 0.00 H new ATOM 19 N SER A 3 18.363 6.065 -14.142 1.00 0.00 N ATOM 20 CA SER A 3 19.119 6.354 -12.935 1.00 0.00 C ATOM 21 C SER A 3 20.353 5.452 -12.863 1.00 0.00 C ATOM 22 O SER A 3 20.322 4.314 -13.329 1.00 0.00 O ATOM 23 CB SER A 3 18.254 6.172 -11.686 1.00 0.00 C ATOM 24 OG SER A 3 18.808 6.833 -10.553 1.00 0.00 O ATOM 0 H SER A 3 18.308 6.838 -14.806 1.00 0.00 H new ATOM 0 HA SER A 3 19.439 7.395 -12.973 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.253 6.559 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.148 5.109 -11.470 1.00 0.00 H new ATOM 0 HG SER A 3 18.226 6.695 -9.777 1.00 0.00 H new ATOM 30 N GLY A 4 21.409 5.993 -12.274 1.00 0.00 N ATOM 31 CA GLY A 4 22.651 5.252 -12.135 1.00 0.00 C ATOM 32 C GLY A 4 22.678 4.470 -10.819 1.00 0.00 C ATOM 33 O GLY A 4 23.214 4.948 -9.821 1.00 0.00 O ATOM 0 H GLY A 4 21.430 6.937 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.764 4.565 -12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.495 5.940 -12.171 1.00 0.00 H new ATOM 37 N SER A 5 22.092 3.283 -10.862 1.00 0.00 N ATOM 38 CA SER A 5 22.042 2.431 -9.686 1.00 0.00 C ATOM 39 C SER A 5 23.229 1.465 -9.689 1.00 0.00 C ATOM 40 O SER A 5 23.547 0.870 -10.717 1.00 0.00 O ATOM 41 CB SER A 5 20.726 1.654 -9.624 1.00 0.00 C ATOM 42 OG SER A 5 19.749 2.320 -8.828 1.00 0.00 O ATOM 0 H SER A 5 21.648 2.891 -11.692 1.00 0.00 H new ATOM 0 HA SER A 5 22.100 3.065 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.338 1.516 -10.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.911 0.661 -9.215 1.00 0.00 H new ATOM 0 HG SER A 5 18.923 1.793 -8.815 1.00 0.00 H new ATOM 48 N SER A 6 23.851 1.339 -8.526 1.00 0.00 N ATOM 49 CA SER A 6 24.996 0.455 -8.382 1.00 0.00 C ATOM 50 C SER A 6 24.982 -0.197 -6.997 1.00 0.00 C ATOM 51 O SER A 6 24.882 0.493 -5.984 1.00 0.00 O ATOM 52 CB SER A 6 26.307 1.212 -8.599 1.00 0.00 C ATOM 53 OG SER A 6 26.393 2.377 -7.782 1.00 0.00 O ATOM 0 H SER A 6 23.584 1.834 -7.675 1.00 0.00 H new ATOM 0 HA SER A 6 24.927 -0.322 -9.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.147 0.553 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.391 1.498 -9.648 1.00 0.00 H new ATOM 0 HG SER A 6 25.869 2.243 -6.965 1.00 0.00 H new ATOM 59 N GLY A 7 25.084 -1.518 -7.000 1.00 0.00 N ATOM 60 CA GLY A 7 25.085 -2.270 -5.757 1.00 0.00 C ATOM 61 C GLY A 7 24.078 -1.688 -4.762 1.00 0.00 C ATOM 62 O GLY A 7 23.031 -1.180 -5.160 1.00 0.00 O ATOM 0 H GLY A 7 25.166 -2.086 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.841 -3.313 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.083 -2.255 -5.320 1.00 0.00 H new ATOM 66 N ALA A 8 24.431 -1.782 -3.489 1.00 0.00 N ATOM 67 CA ALA A 8 23.571 -1.271 -2.435 1.00 0.00 C ATOM 68 C ALA A 8 22.233 -2.012 -2.469 1.00 0.00 C ATOM 69 O ALA A 8 21.233 -1.474 -2.939 1.00 0.00 O ATOM 70 CB ALA A 8 23.404 0.241 -2.600 1.00 0.00 C ATOM 0 H ALA A 8 25.300 -2.204 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 8 24.019 -1.445 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.759 0.624 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.379 0.724 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.955 0.454 -3.570 1.00 0.00 H new ATOM 76 N GLU A 9 22.259 -3.237 -1.965 1.00 0.00 N ATOM 77 CA GLU A 9 21.061 -4.058 -1.932 1.00 0.00 C ATOM 78 C GLU A 9 20.645 -4.332 -0.485 1.00 0.00 C ATOM 79 O GLU A 9 21.010 -5.359 0.086 1.00 0.00 O ATOM 80 CB GLU A 9 21.271 -5.366 -2.699 1.00 0.00 C ATOM 81 CG GLU A 9 20.715 -5.263 -4.120 1.00 0.00 C ATOM 82 CD GLU A 9 21.843 -5.292 -5.154 1.00 0.00 C ATOM 83 OE1 GLU A 9 22.205 -6.415 -5.567 1.00 0.00 O ATOM 84 OE2 GLU A 9 22.318 -4.191 -5.507 1.00 0.00 O ATOM 0 H GLU A 9 23.091 -3.681 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 9 20.256 -3.512 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 9 22.334 -5.603 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.781 -6.184 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 9 20.026 -6.087 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.144 -4.340 -4.225 1.00 0.00 H new ATOM 91 N LEU A 10 19.886 -3.396 0.066 1.00 0.00 N ATOM 92 CA LEU A 10 19.416 -3.523 1.435 1.00 0.00 C ATOM 93 C LEU A 10 18.671 -4.850 1.592 1.00 0.00 C ATOM 94 O LEU A 10 19.113 -5.731 2.329 1.00 0.00 O ATOM 95 CB LEU A 10 18.586 -2.301 1.833 1.00 0.00 C ATOM 96 CG LEU A 10 19.366 -1.003 2.051 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.641 -0.298 0.722 1.00 0.00 C ATOM 98 CD2 LEU A 10 18.645 -0.091 3.046 1.00 0.00 C ATOM 0 H LEU A 10 19.585 -2.546 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 10 20.258 -3.545 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.838 -2.127 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.047 -2.536 2.751 1.00 0.00 H new ATOM 0 HG LEU A 10 20.333 -1.255 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.197 0.622 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.227 -0.953 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.696 -0.059 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.220 0.825 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.655 0.156 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.545 -0.603 4.003 1.00 0.00 H new ATOM 110 N THR A 11 17.553 -4.951 0.889 1.00 0.00 N ATOM 111 CA THR A 11 16.742 -6.156 0.941 1.00 0.00 C ATOM 112 C THR A 11 15.882 -6.275 -0.318 1.00 0.00 C ATOM 113 O THR A 11 16.126 -5.588 -1.309 1.00 0.00 O ATOM 114 CB THR A 11 15.925 -6.120 2.234 1.00 0.00 C ATOM 115 OG1 THR A 11 15.280 -4.850 2.202 1.00 0.00 O ATOM 116 CG2 THR A 11 16.807 -6.058 3.483 1.00 0.00 C ATOM 0 H THR A 11 17.189 -4.218 0.280 1.00 0.00 H new ATOM 0 HA THR A 11 17.364 -7.051 0.957 1.00 0.00 H new ATOM 0 HB THR A 11 15.286 -7.002 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.727 -4.744 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.177 -6.034 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.451 -6.937 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.422 -5.159 3.450 1.00 0.00 H new ATOM 124 N ALA A 12 14.892 -7.153 -0.240 1.00 0.00 N ATOM 125 CA ALA A 12 13.994 -7.371 -1.361 1.00 0.00 C ATOM 126 C ALA A 12 13.001 -6.211 -1.446 1.00 0.00 C ATOM 127 O ALA A 12 12.671 -5.749 -2.538 1.00 0.00 O ATOM 128 CB ALA A 12 13.299 -8.724 -1.202 1.00 0.00 C ATOM 0 H ALA A 12 14.692 -7.722 0.583 1.00 0.00 H new ATOM 0 HA ALA A 12 14.549 -7.398 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.625 -8.888 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.047 -9.516 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.729 -8.733 -0.273 1.00 0.00 H new ATOM 134 N LEU A 13 12.551 -5.772 -0.279 1.00 0.00 N ATOM 135 CA LEU A 13 11.601 -4.675 -0.208 1.00 0.00 C ATOM 136 C LEU A 13 12.291 -3.380 -0.642 1.00 0.00 C ATOM 137 O LEU A 13 11.871 -2.742 -1.607 1.00 0.00 O ATOM 138 CB LEU A 13 10.973 -4.599 1.185 1.00 0.00 C ATOM 139 CG LEU A 13 9.451 -4.449 1.227 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.978 -3.375 0.245 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.761 -5.793 0.984 1.00 0.00 C ATOM 0 H LEU A 13 12.827 -6.156 0.625 1.00 0.00 H new ATOM 0 HA LEU A 13 10.773 -4.843 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.245 -5.501 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.416 -3.757 1.716 1.00 0.00 H new ATOM 0 HG LEU A 13 9.168 -4.118 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.893 -3.289 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.430 -2.418 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.274 -3.652 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.680 -5.659 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.047 -6.177 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.064 -6.502 1.755 1.00 0.00 H new ATOM 153 N GLU A 14 13.338 -3.030 0.090 1.00 0.00 N ATOM 154 CA GLU A 14 14.090 -1.823 -0.207 1.00 0.00 C ATOM 155 C GLU A 14 14.317 -1.697 -1.715 1.00 0.00 C ATOM 156 O GLU A 14 13.908 -0.712 -2.328 1.00 0.00 O ATOM 157 CB GLU A 14 15.419 -1.804 0.551 1.00 0.00 C ATOM 158 CG GLU A 14 15.192 -1.608 2.051 1.00 0.00 C ATOM 159 CD GLU A 14 14.831 -0.155 2.365 1.00 0.00 C ATOM 160 OE1 GLU A 14 15.651 0.722 2.015 1.00 0.00 O ATOM 161 OE2 GLU A 14 13.744 0.047 2.948 1.00 0.00 O ATOM 0 H GLU A 14 13.684 -3.562 0.889 1.00 0.00 H new ATOM 0 HA GLU A 14 13.507 -0.964 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.953 -2.739 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.049 -1.002 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.393 -2.267 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.091 -1.890 2.599 1.00 0.00 H new ATOM 168 N SER A 15 14.969 -2.709 -2.270 1.00 0.00 N ATOM 169 CA SER A 15 15.255 -2.724 -3.694 1.00 0.00 C ATOM 170 C SER A 15 14.061 -2.169 -4.474 1.00 0.00 C ATOM 171 O SER A 15 14.195 -1.189 -5.205 1.00 0.00 O ATOM 172 CB SER A 15 15.590 -4.138 -4.174 1.00 0.00 C ATOM 173 OG SER A 15 16.611 -4.136 -5.168 1.00 0.00 O ATOM 0 H SER A 15 15.307 -3.524 -1.759 1.00 0.00 H new ATOM 0 HA SER A 15 16.125 -2.092 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.911 -4.742 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.692 -4.606 -4.577 1.00 0.00 H new ATOM 0 HG SER A 15 17.222 -4.886 -5.011 1.00 0.00 H new ATOM 179 N LEU A 16 12.921 -2.819 -4.290 1.00 0.00 N ATOM 180 CA LEU A 16 11.705 -2.402 -4.967 1.00 0.00 C ATOM 181 C LEU A 16 11.395 -0.949 -4.601 1.00 0.00 C ATOM 182 O LEU A 16 10.991 -0.162 -5.456 1.00 0.00 O ATOM 183 CB LEU A 16 10.562 -3.371 -4.661 1.00 0.00 C ATOM 184 CG LEU A 16 10.795 -4.830 -5.059 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.504 -5.644 -4.939 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.404 -4.926 -6.459 1.00 0.00 C ATOM 0 H LEU A 16 12.814 -3.631 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 16 11.840 -2.437 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.358 -3.335 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.665 -3.016 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 16 11.515 -5.263 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.697 -6.677 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.150 -5.615 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.744 -5.220 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.559 -5.974 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.727 -4.471 -7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.360 -4.402 -6.477 1.00 0.00 H new ATOM 198 N ILE A 17 11.595 -0.638 -3.329 1.00 0.00 N ATOM 199 CA ILE A 17 11.341 0.706 -2.838 1.00 0.00 C ATOM 200 C ILE A 17 12.244 1.694 -3.580 1.00 0.00 C ATOM 201 O ILE A 17 11.932 2.880 -3.669 1.00 0.00 O ATOM 202 CB ILE A 17 11.491 0.759 -1.317 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.316 0.066 -0.625 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.673 2.199 -0.833 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.666 -0.298 0.819 1.00 0.00 C ATOM 0 H ILE A 17 11.930 -1.294 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 17 10.311 0.998 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 17 12.393 0.212 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.445 0.721 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.046 -0.835 -1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.777 2.208 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.568 2.625 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.804 2.791 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.813 -0.789 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.522 -0.972 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.912 0.608 1.373 1.00 0.00 H new ATOM 217 N GLU A 18 13.347 1.168 -4.093 1.00 0.00 N ATOM 218 CA GLU A 18 14.298 1.988 -4.824 1.00 0.00 C ATOM 219 C GLU A 18 13.797 2.240 -6.248 1.00 0.00 C ATOM 220 O GLU A 18 14.032 3.307 -6.812 1.00 0.00 O ATOM 221 CB GLU A 18 15.684 1.341 -4.837 1.00 0.00 C ATOM 222 CG GLU A 18 16.695 2.197 -4.070 1.00 0.00 C ATOM 223 CD GLU A 18 17.889 2.559 -4.956 1.00 0.00 C ATOM 224 OE1 GLU A 18 17.637 3.068 -6.069 1.00 0.00 O ATOM 225 OE2 GLU A 18 19.028 2.318 -4.499 1.00 0.00 O ATOM 0 H GLU A 18 13.603 0.184 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 18 14.386 2.948 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.630 0.348 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.019 1.210 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.211 3.107 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.041 1.656 -3.189 1.00 0.00 H new ATOM 232 N MET A 19 13.116 1.239 -6.787 1.00 0.00 N ATOM 233 CA MET A 19 12.580 1.339 -8.134 1.00 0.00 C ATOM 234 C MET A 19 11.612 2.518 -8.253 1.00 0.00 C ATOM 235 O MET A 19 11.270 2.935 -9.358 1.00 0.00 O ATOM 236 CB MET A 19 11.852 0.042 -8.491 1.00 0.00 C ATOM 237 CG MET A 19 12.803 -0.955 -9.158 1.00 0.00 C ATOM 238 SD MET A 19 12.215 -2.621 -8.906 1.00 0.00 S ATOM 239 CE MET A 19 13.764 -3.454 -8.604 1.00 0.00 C ATOM 0 H MET A 19 12.923 0.355 -6.316 1.00 0.00 H new ATOM 0 HA MET A 19 13.408 1.503 -8.823 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.428 -0.401 -7.590 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.020 0.260 -9.161 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.875 -0.743 -10.225 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.805 -0.848 -8.743 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.647 -4.521 -8.794 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.530 -3.050 -9.266 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.063 -3.301 -7.567 1.00 0.00 H new ATOM 249 N GLY A 20 11.197 3.020 -7.099 1.00 0.00 N ATOM 250 CA GLY A 20 10.275 4.142 -7.060 1.00 0.00 C ATOM 251 C GLY A 20 8.946 3.738 -6.419 1.00 0.00 C ATOM 252 O GLY A 20 8.156 4.595 -6.025 1.00 0.00 O ATOM 0 H GLY A 20 11.482 2.670 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.719 4.963 -6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.099 4.508 -8.072 1.00 0.00 H new ATOM 256 N PHE A 21 8.740 2.432 -6.334 1.00 0.00 N ATOM 257 CA PHE A 21 7.520 1.903 -5.747 1.00 0.00 C ATOM 258 C PHE A 21 7.501 2.122 -4.233 1.00 0.00 C ATOM 259 O PHE A 21 8.550 2.149 -3.593 1.00 0.00 O ATOM 260 CB PHE A 21 7.500 0.401 -6.034 1.00 0.00 C ATOM 261 CG PHE A 21 7.743 0.044 -7.502 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.925 0.543 -8.467 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.777 -0.772 -7.842 1.00 0.00 C ATOM 264 CE1 PHE A 21 7.150 0.212 -9.830 1.00 0.00 C ATOM 265 CE2 PHE A 21 9.002 -1.102 -9.205 1.00 0.00 C ATOM 266 CZ PHE A 21 8.184 -0.603 -10.170 1.00 0.00 C ATOM 0 H PHE A 21 9.397 1.724 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 21 6.653 2.409 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.260 -0.085 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.536 -0.004 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.104 1.191 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.427 -1.169 -7.076 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.500 0.608 -10.596 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.823 -1.749 -9.475 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.356 -0.854 -11.206 1.00 0.00 H new ATOM 276 N PRO A 22 6.263 2.275 -3.691 1.00 0.00 N ATOM 277 CA PRO A 22 6.093 2.490 -2.264 1.00 0.00 C ATOM 278 C PRO A 22 6.312 1.192 -1.484 1.00 0.00 C ATOM 279 O PRO A 22 6.298 0.107 -2.062 1.00 0.00 O ATOM 280 CB PRO A 22 4.685 3.043 -2.114 1.00 0.00 C ATOM 281 CG PRO A 22 3.957 2.683 -3.399 1.00 0.00 C ATOM 282 CD PRO A 22 4.998 2.249 -4.418 1.00 0.00 C ATOM 0 HA PRO A 22 6.825 3.185 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.185 2.610 -1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.703 4.123 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.240 1.881 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.392 3.538 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.783 1.252 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.019 2.924 -5.274 1.00 0.00 H new ATOM 290 N ARG A 23 6.509 1.347 -0.183 1.00 0.00 N ATOM 291 CA ARG A 23 6.730 0.201 0.683 1.00 0.00 C ATOM 292 C ARG A 23 5.484 -0.687 0.716 1.00 0.00 C ATOM 293 O ARG A 23 5.582 -1.905 0.578 1.00 0.00 O ATOM 294 CB ARG A 23 7.071 0.644 2.107 1.00 0.00 C ATOM 295 CG ARG A 23 7.555 -0.539 2.948 1.00 0.00 C ATOM 296 CD ARG A 23 8.749 -0.142 3.817 1.00 0.00 C ATOM 297 NE ARG A 23 9.491 -1.351 4.241 1.00 0.00 N ATOM 298 CZ ARG A 23 9.097 -2.165 5.230 1.00 0.00 C ATOM 299 NH1 ARG A 23 7.968 -1.904 5.903 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.833 -3.239 5.547 1.00 0.00 N ATOM 0 H ARG A 23 6.520 2.249 0.293 1.00 0.00 H new ATOM 0 HA ARG A 23 7.571 -0.362 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.842 1.414 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.193 1.091 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.743 -0.896 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.835 -1.364 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.409 0.523 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.405 0.409 4.692 1.00 0.00 H new ATOM 0 HE ARG A 23 10.356 -1.578 3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.408 -1.086 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.668 -2.524 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.693 -3.437 5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.533 -3.859 6.300 1.00 0.00 H new ATOM 314 N GLY A 24 4.342 -0.042 0.901 1.00 0.00 N ATOM 315 CA GLY A 24 3.079 -0.757 0.955 1.00 0.00 C ATOM 316 C GLY A 24 2.872 -1.600 -0.305 1.00 0.00 C ATOM 317 O GLY A 24 2.269 -2.671 -0.248 1.00 0.00 O ATOM 0 H GLY A 24 4.265 0.969 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.058 -1.400 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.259 -0.047 1.060 1.00 0.00 H new ATOM 321 N ARG A 25 3.383 -1.085 -1.414 1.00 0.00 N ATOM 322 CA ARG A 25 3.263 -1.777 -2.686 1.00 0.00 C ATOM 323 C ARG A 25 4.143 -3.028 -2.695 1.00 0.00 C ATOM 324 O ARG A 25 3.635 -4.148 -2.706 1.00 0.00 O ATOM 325 CB ARG A 25 3.668 -0.868 -3.848 1.00 0.00 C ATOM 326 CG ARG A 25 2.487 -0.014 -4.314 1.00 0.00 C ATOM 327 CD ARG A 25 1.556 -0.816 -5.225 1.00 0.00 C ATOM 328 NE ARG A 25 0.566 -1.557 -4.411 1.00 0.00 N ATOM 329 CZ ARG A 25 -0.535 -1.007 -3.884 1.00 0.00 C ATOM 330 NH1 ARG A 25 -0.795 0.293 -4.081 1.00 0.00 N ATOM 331 NH2 ARG A 25 -1.377 -1.756 -3.159 1.00 0.00 N ATOM 0 H ARG A 25 3.881 -0.196 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 25 2.219 -2.063 -2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.489 -0.221 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.033 -1.473 -4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.932 0.348 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.855 0.863 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.043 -0.146 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.137 -1.513 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 25 0.733 -2.549 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.154 0.863 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.634 0.712 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.179 -2.745 -3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.216 -1.337 -2.758 1.00 0.00 H new ATOM 345 N ALA A 26 5.447 -2.795 -2.690 1.00 0.00 N ATOM 346 CA ALA A 26 6.403 -3.890 -2.698 1.00 0.00 C ATOM 347 C ALA A 26 6.046 -4.881 -1.588 1.00 0.00 C ATOM 348 O ALA A 26 5.995 -6.088 -1.821 1.00 0.00 O ATOM 349 CB ALA A 26 7.819 -3.332 -2.549 1.00 0.00 C ATOM 0 H ALA A 26 5.864 -1.864 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 26 6.363 -4.428 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.536 -4.153 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.033 -2.657 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.898 -2.788 -1.608 1.00 0.00 H new ATOM 355 N GLU A 27 5.807 -4.334 -0.405 1.00 0.00 N ATOM 356 CA GLU A 27 5.457 -5.155 0.742 1.00 0.00 C ATOM 357 C GLU A 27 4.284 -6.075 0.397 1.00 0.00 C ATOM 358 O GLU A 27 4.429 -7.297 0.396 1.00 0.00 O ATOM 359 CB GLU A 27 5.133 -4.286 1.959 1.00 0.00 C ATOM 360 CG GLU A 27 6.396 -3.621 2.510 1.00 0.00 C ATOM 361 CD GLU A 27 6.750 -4.176 3.891 1.00 0.00 C ATOM 362 OE1 GLU A 27 5.797 -4.496 4.635 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.964 -4.268 4.172 1.00 0.00 O ATOM 0 H GLU A 27 5.849 -3.333 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 27 6.317 -5.775 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.407 -3.522 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.672 -4.898 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.227 -3.786 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.245 -2.543 2.575 1.00 0.00 H new ATOM 370 N LYS A 28 3.149 -5.454 0.112 1.00 0.00 N ATOM 371 CA LYS A 28 1.953 -6.202 -0.233 1.00 0.00 C ATOM 372 C LYS A 28 2.314 -7.297 -1.238 1.00 0.00 C ATOM 373 O LYS A 28 2.044 -8.474 -1.003 1.00 0.00 O ATOM 374 CB LYS A 28 0.853 -5.257 -0.722 1.00 0.00 C ATOM 375 CG LYS A 28 -0.265 -6.033 -1.423 1.00 0.00 C ATOM 376 CD LYS A 28 -1.590 -5.272 -1.349 1.00 0.00 C ATOM 377 CE LYS A 28 -2.767 -6.187 -1.691 1.00 0.00 C ATOM 378 NZ LYS A 28 -4.015 -5.676 -1.080 1.00 0.00 N ATOM 0 H LYS A 28 3.033 -4.441 0.113 1.00 0.00 H new ATOM 0 HA LYS A 28 1.547 -6.699 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.442 -4.703 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.277 -4.524 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.004 -6.202 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.378 -7.013 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.723 -4.862 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.568 -4.428 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.884 -6.250 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.567 -7.197 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.804 -6.309 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.905 -5.639 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.213 -4.721 -1.442 1.00 0.00 H new ATOM 392 N ALA A 29 2.919 -6.872 -2.337 1.00 0.00 N ATOM 393 CA ALA A 29 3.320 -7.802 -3.379 1.00 0.00 C ATOM 394 C ALA A 29 4.208 -8.889 -2.771 1.00 0.00 C ATOM 395 O ALA A 29 3.809 -10.050 -2.693 1.00 0.00 O ATOM 396 CB ALA A 29 4.021 -7.038 -4.504 1.00 0.00 C ATOM 0 H ALA A 29 3.141 -5.895 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 29 2.448 -8.292 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.322 -7.736 -5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.338 -6.298 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.903 -6.535 -4.108 1.00 0.00 H new ATOM 402 N LEU A 30 5.396 -8.475 -2.357 1.00 0.00 N ATOM 403 CA LEU A 30 6.344 -9.400 -1.758 1.00 0.00 C ATOM 404 C LEU A 30 5.614 -10.293 -0.753 1.00 0.00 C ATOM 405 O LEU A 30 5.991 -11.447 -0.555 1.00 0.00 O ATOM 406 CB LEU A 30 7.529 -8.639 -1.158 1.00 0.00 C ATOM 407 CG LEU A 30 8.725 -8.420 -2.087 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.102 -6.939 -2.156 1.00 0.00 C ATOM 409 CD2 LEU A 30 9.910 -9.294 -1.669 1.00 0.00 C ATOM 0 H LEU A 30 5.724 -7.512 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 30 6.768 -10.056 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.175 -7.666 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.873 -9.179 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 30 8.437 -8.726 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.955 -6.811 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.256 -6.365 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.364 -6.584 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.747 -9.120 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.207 -9.042 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.621 -10.344 -1.713 1.00 0.00 H new ATOM 421 N ALA A 31 4.583 -9.725 -0.146 1.00 0.00 N ATOM 422 CA ALA A 31 3.796 -10.456 0.833 1.00 0.00 C ATOM 423 C ALA A 31 2.936 -11.498 0.116 1.00 0.00 C ATOM 424 O ALA A 31 2.929 -12.668 0.494 1.00 0.00 O ATOM 425 CB ALA A 31 2.958 -9.472 1.652 1.00 0.00 C ATOM 0 H ALA A 31 4.274 -8.767 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 31 4.446 -10.988 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.368 -10.020 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.617 -8.772 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.291 -8.922 0.988 1.00 0.00 H new ATOM 431 N LEU A 32 2.232 -11.035 -0.906 1.00 0.00 N ATOM 432 CA LEU A 32 1.370 -11.912 -1.680 1.00 0.00 C ATOM 433 C LEU A 32 2.200 -13.067 -2.244 1.00 0.00 C ATOM 434 O LEU A 32 1.881 -14.233 -2.020 1.00 0.00 O ATOM 435 CB LEU A 32 0.616 -11.117 -2.748 1.00 0.00 C ATOM 436 CG LEU A 32 -0.435 -10.132 -2.234 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.328 -8.788 -2.958 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.841 -10.727 -2.335 1.00 0.00 C ATOM 0 H LEU A 32 2.241 -10.063 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 32 0.603 -12.352 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.344 -10.564 -3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.126 -11.822 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.240 -9.945 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.087 -8.106 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.661 -8.362 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.482 -8.937 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.569 -10.006 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.063 -10.962 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.895 -11.637 -1.738 1.00 0.00 H new ATOM 450 N THR A 33 3.249 -12.702 -2.966 1.00 0.00 N ATOM 451 CA THR A 33 4.127 -13.693 -3.565 1.00 0.00 C ATOM 452 C THR A 33 4.688 -14.627 -2.490 1.00 0.00 C ATOM 453 O THR A 33 4.856 -15.822 -2.728 1.00 0.00 O ATOM 454 CB THR A 33 5.211 -12.952 -4.351 1.00 0.00 C ATOM 455 OG1 THR A 33 5.987 -12.305 -3.346 1.00 0.00 O ATOM 456 CG2 THR A 33 4.646 -11.800 -5.184 1.00 0.00 C ATOM 0 H THR A 33 3.511 -11.733 -3.150 1.00 0.00 H new ATOM 0 HA THR A 33 3.584 -14.335 -4.259 1.00 0.00 H new ATOM 0 HB THR A 33 5.728 -13.654 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.801 -11.936 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.457 -11.308 -5.722 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.921 -12.189 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.158 -11.081 -4.526 1.00 0.00 H new ATOM 464 N GLY A 34 4.961 -14.047 -1.331 1.00 0.00 N ATOM 465 CA GLY A 34 5.498 -14.812 -0.219 1.00 0.00 C ATOM 466 C GLY A 34 7.020 -14.672 -0.141 1.00 0.00 C ATOM 467 O GLY A 34 7.733 -15.665 -0.003 1.00 0.00 O ATOM 0 H GLY A 34 4.820 -13.055 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.049 -14.469 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.231 -15.863 -0.333 1.00 0.00 H new ATOM 471 N ASN A 35 7.473 -13.430 -0.234 1.00 0.00 N ATOM 472 CA ASN A 35 8.897 -13.146 -0.176 1.00 0.00 C ATOM 473 C ASN A 35 9.653 -14.183 -1.009 1.00 0.00 C ATOM 474 O ASN A 35 10.363 -15.026 -0.462 1.00 0.00 O ATOM 475 CB ASN A 35 9.416 -13.224 1.261 1.00 0.00 C ATOM 476 CG ASN A 35 8.743 -12.173 2.145 1.00 0.00 C ATOM 477 OD1 ASN A 35 9.138 -11.019 2.192 1.00 0.00 O ATOM 478 ND2 ASN A 35 7.707 -12.633 2.841 1.00 0.00 N ATOM 0 H ASN A 35 6.879 -12.609 -0.349 1.00 0.00 H new ATOM 0 HA ASN A 35 9.057 -12.139 -0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.228 -14.219 1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.496 -13.075 1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.191 -12.008 3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.429 -13.611 2.755 1.00 0.00 H new ATOM 485 N GLN A 36 9.476 -14.087 -2.318 1.00 0.00 N ATOM 486 CA GLN A 36 10.133 -15.007 -3.232 1.00 0.00 C ATOM 487 C GLN A 36 11.182 -14.268 -4.065 1.00 0.00 C ATOM 488 O GLN A 36 11.627 -14.770 -5.096 1.00 0.00 O ATOM 489 CB GLN A 36 9.113 -15.708 -4.131 1.00 0.00 C ATOM 490 CG GLN A 36 8.111 -16.512 -3.301 1.00 0.00 C ATOM 491 CD GLN A 36 8.430 -18.008 -3.354 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.373 -18.490 -2.749 1.00 0.00 O ATOM 493 NE2 GLN A 36 7.593 -18.713 -4.111 1.00 0.00 N ATOM 0 H GLN A 36 8.887 -13.386 -2.768 1.00 0.00 H new ATOM 0 HA GLN A 36 10.638 -15.774 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.583 -14.968 -4.731 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.630 -16.370 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.132 -16.169 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.102 -16.338 -3.674 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.823 -18.247 -4.591 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.721 -19.720 -4.212 1.00 0.00 H new ATOM 502 N GLY A 37 11.547 -13.088 -3.587 1.00 0.00 N ATOM 503 CA GLY A 37 12.536 -12.275 -4.274 1.00 0.00 C ATOM 504 C GLY A 37 11.877 -11.082 -4.971 1.00 0.00 C ATOM 505 O GLY A 37 10.709 -10.784 -4.727 1.00 0.00 O ATOM 0 H GLY A 37 11.175 -12.675 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.279 -11.919 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.065 -12.883 -5.008 1.00 0.00 H new ATOM 509 N ILE A 38 12.655 -10.432 -5.824 1.00 0.00 N ATOM 510 CA ILE A 38 12.161 -9.279 -6.557 1.00 0.00 C ATOM 511 C ILE A 38 11.317 -9.756 -7.741 1.00 0.00 C ATOM 512 O ILE A 38 10.120 -9.480 -7.806 1.00 0.00 O ATOM 513 CB ILE A 38 13.319 -8.363 -6.957 1.00 0.00 C ATOM 514 CG1 ILE A 38 13.901 -7.649 -5.735 1.00 0.00 C ATOM 515 CG2 ILE A 38 12.888 -7.377 -8.045 1.00 0.00 C ATOM 516 CD1 ILE A 38 14.996 -6.662 -6.146 1.00 0.00 C ATOM 0 H ILE A 38 13.624 -10.682 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 38 11.511 -8.675 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 38 14.113 -8.980 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.108 -7.119 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.310 -8.383 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.730 -6.738 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.559 -7.928 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.068 -6.762 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.393 -6.168 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.799 -7.199 -6.652 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.578 -5.915 -6.821 1.00 0.00 H new ATOM 528 N GLU A 39 11.975 -10.463 -8.648 1.00 0.00 N ATOM 529 CA GLU A 39 11.300 -10.981 -9.826 1.00 0.00 C ATOM 530 C GLU A 39 9.891 -11.456 -9.465 1.00 0.00 C ATOM 531 O GLU A 39 8.914 -11.046 -10.092 1.00 0.00 O ATOM 532 CB GLU A 39 12.109 -12.107 -10.471 1.00 0.00 C ATOM 533 CG GLU A 39 12.567 -11.718 -11.879 1.00 0.00 C ATOM 534 CD GLU A 39 13.364 -12.850 -12.529 1.00 0.00 C ATOM 535 OE1 GLU A 39 14.062 -13.559 -11.773 1.00 0.00 O ATOM 536 OE2 GLU A 39 13.256 -12.981 -13.768 1.00 0.00 O ATOM 0 H GLU A 39 12.968 -10.689 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 39 11.215 -10.175 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.977 -12.336 -9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.504 -13.013 -10.519 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.700 -11.479 -12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.180 -10.818 -11.830 1.00 0.00 H new ATOM 543 N ALA A 40 9.830 -12.313 -8.457 1.00 0.00 N ATOM 544 CA ALA A 40 8.557 -12.847 -8.005 1.00 0.00 C ATOM 545 C ALA A 40 7.625 -11.691 -7.635 1.00 0.00 C ATOM 546 O ALA A 40 6.458 -11.681 -8.024 1.00 0.00 O ATOM 547 CB ALA A 40 8.791 -13.804 -6.834 1.00 0.00 C ATOM 0 H ALA A 40 10.642 -12.651 -7.940 1.00 0.00 H new ATOM 0 HA ALA A 40 8.076 -13.416 -8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.836 -14.205 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.434 -14.623 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.270 -13.267 -6.015 1.00 0.00 H new ATOM 553 N ALA A 41 8.176 -10.746 -6.888 1.00 0.00 N ATOM 554 CA ALA A 41 7.409 -9.588 -6.461 1.00 0.00 C ATOM 555 C ALA A 41 6.970 -8.791 -7.691 1.00 0.00 C ATOM 556 O ALA A 41 5.776 -8.662 -7.959 1.00 0.00 O ATOM 557 CB ALA A 41 8.245 -8.750 -5.492 1.00 0.00 C ATOM 0 H ALA A 41 9.144 -10.758 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 41 6.509 -9.899 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.669 -7.882 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.507 -9.353 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.156 -8.418 -5.990 1.00 0.00 H new ATOM 563 N MET A 42 7.959 -8.276 -8.407 1.00 0.00 N ATOM 564 CA MET A 42 7.689 -7.495 -9.602 1.00 0.00 C ATOM 565 C MET A 42 6.616 -8.163 -10.464 1.00 0.00 C ATOM 566 O MET A 42 5.919 -7.493 -11.223 1.00 0.00 O ATOM 567 CB MET A 42 8.977 -7.345 -10.415 1.00 0.00 C ATOM 568 CG MET A 42 9.453 -5.891 -10.426 1.00 0.00 C ATOM 569 SD MET A 42 8.833 -5.056 -11.877 1.00 0.00 S ATOM 570 CE MET A 42 10.304 -4.184 -12.386 1.00 0.00 C ATOM 0 H MET A 42 8.948 -8.384 -8.182 1.00 0.00 H new ATOM 0 HA MET A 42 7.324 -6.514 -9.297 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.754 -7.982 -9.993 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.807 -7.684 -11.437 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.108 -5.380 -9.527 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.542 -5.856 -10.414 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.092 -3.607 -13.286 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.622 -3.511 -11.590 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.098 -4.901 -12.594 1.00 0.00 H new ATOM 580 N ASP A 43 6.518 -9.476 -10.317 1.00 0.00 N ATOM 581 CA ASP A 43 5.541 -10.243 -11.072 1.00 0.00 C ATOM 582 C ASP A 43 4.134 -9.754 -10.721 1.00 0.00 C ATOM 583 O ASP A 43 3.274 -9.650 -11.595 1.00 0.00 O ATOM 584 CB ASP A 43 5.624 -11.731 -10.728 1.00 0.00 C ATOM 585 CG ASP A 43 5.196 -12.679 -11.850 1.00 0.00 C ATOM 586 OD1 ASP A 43 5.582 -12.401 -13.006 1.00 0.00 O ATOM 587 OD2 ASP A 43 4.492 -13.660 -11.526 1.00 0.00 O ATOM 0 H ASP A 43 7.099 -10.028 -9.686 1.00 0.00 H new ATOM 0 HA ASP A 43 5.751 -10.106 -12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.650 -11.966 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.001 -11.922 -9.854 1.00 0.00 H new ATOM 592 N TRP A 44 3.944 -9.467 -9.442 1.00 0.00 N ATOM 593 CA TRP A 44 2.656 -8.992 -8.966 1.00 0.00 C ATOM 594 C TRP A 44 2.503 -7.530 -9.393 1.00 0.00 C ATOM 595 O TRP A 44 1.517 -7.166 -10.031 1.00 0.00 O ATOM 596 CB TRP A 44 2.523 -9.189 -7.454 1.00 0.00 C ATOM 597 CG TRP A 44 1.154 -8.799 -6.893 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.079 -9.580 -6.724 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.755 -7.491 -6.432 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.980 -8.874 -6.189 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.555 -7.564 -6.006 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.478 -6.286 -6.377 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.257 -6.465 -5.495 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.763 -5.198 -5.863 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.557 -5.255 -5.430 1.00 0.00 C ATOM 0 H TRP A 44 4.660 -9.554 -8.721 1.00 0.00 H new ATOM 0 HA TRP A 44 1.845 -9.571 -9.408 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.717 -10.235 -7.216 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.291 -8.600 -6.952 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.045 -10.630 -6.975 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.904 -9.246 -5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.504 -6.206 -6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.283 -6.547 -5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.272 -4.248 -5.798 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.040 -4.369 -5.045 1.00 0.00 H new ATOM 616 N LEU A 45 3.495 -6.733 -9.024 1.00 0.00 N ATOM 617 CA LEU A 45 3.483 -5.319 -9.361 1.00 0.00 C ATOM 618 C LEU A 45 3.257 -5.161 -10.866 1.00 0.00 C ATOM 619 O LEU A 45 2.414 -4.372 -11.291 1.00 0.00 O ATOM 620 CB LEU A 45 4.756 -4.638 -8.856 1.00 0.00 C ATOM 621 CG LEU A 45 4.840 -4.409 -7.345 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.261 -4.649 -6.832 1.00 0.00 C ATOM 623 CD2 LEU A 45 4.323 -3.018 -6.972 1.00 0.00 C ATOM 0 H LEU A 45 4.312 -7.039 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 45 2.658 -4.814 -8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.612 -5.241 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.851 -3.674 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 45 4.193 -5.136 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.293 -4.479 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.557 -5.676 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.948 -3.963 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.394 -2.881 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.924 -2.260 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.283 -2.921 -7.283 1.00 0.00 H new ATOM 635 N MET A 46 4.025 -5.922 -11.632 1.00 0.00 N ATOM 636 CA MET A 46 3.919 -5.875 -13.080 1.00 0.00 C ATOM 637 C MET A 46 2.485 -6.155 -13.534 1.00 0.00 C ATOM 638 O MET A 46 1.902 -5.370 -14.279 1.00 0.00 O ATOM 639 CB MET A 46 4.861 -6.913 -13.695 1.00 0.00 C ATOM 640 CG MET A 46 6.300 -6.395 -13.728 1.00 0.00 C ATOM 641 SD MET A 46 6.454 -5.098 -14.944 1.00 0.00 S ATOM 642 CE MET A 46 6.281 -3.666 -13.893 1.00 0.00 C ATOM 0 H MET A 46 4.724 -6.575 -11.277 1.00 0.00 H new ATOM 0 HA MET A 46 4.197 -4.875 -13.414 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.816 -7.837 -13.118 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.534 -7.153 -14.707 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.582 -6.018 -12.745 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.983 -7.210 -13.965 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.474 -3.036 -14.267 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.050 -3.986 -12.877 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.213 -3.101 -13.892 1.00 0.00 H new ATOM 652 N GLU A 47 1.958 -7.277 -13.065 1.00 0.00 N ATOM 653 CA GLU A 47 0.603 -7.670 -13.414 1.00 0.00 C ATOM 654 C GLU A 47 -0.409 -6.743 -12.737 1.00 0.00 C ATOM 655 O GLU A 47 -1.579 -6.713 -13.116 1.00 0.00 O ATOM 656 CB GLU A 47 0.343 -9.131 -13.042 1.00 0.00 C ATOM 657 CG GLU A 47 -0.523 -9.820 -14.098 1.00 0.00 C ATOM 658 CD GLU A 47 -1.808 -10.372 -13.479 1.00 0.00 C ATOM 659 OE1 GLU A 47 -1.682 -11.157 -12.515 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.888 -9.997 -13.984 1.00 0.00 O ATOM 0 H GLU A 47 2.445 -7.926 -12.447 1.00 0.00 H new ATOM 0 HA GLU A 47 0.485 -7.578 -14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.291 -9.659 -12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.152 -9.180 -12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.771 -9.112 -14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.039 -10.631 -14.562 1.00 0.00 H new ATOM 667 N HIS A 48 0.078 -6.010 -11.746 1.00 0.00 N ATOM 668 CA HIS A 48 -0.770 -5.085 -11.013 1.00 0.00 C ATOM 669 C HIS A 48 -0.457 -3.651 -11.444 1.00 0.00 C ATOM 670 O HIS A 48 -0.811 -2.699 -10.750 1.00 0.00 O ATOM 671 CB HIS A 48 -0.625 -5.296 -9.504 1.00 0.00 C ATOM 672 CG HIS A 48 -1.386 -6.488 -8.975 1.00 0.00 C ATOM 673 ND1 HIS A 48 -2.494 -6.367 -8.155 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.186 -7.825 -9.158 1.00 0.00 C ATOM 675 CE1 HIS A 48 -2.933 -7.582 -7.863 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.121 -8.485 -8.485 1.00 0.00 N ATOM 0 H HIS A 48 1.049 -6.038 -11.434 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.816 -5.278 -11.250 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.431 -5.417 -9.264 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.969 -4.400 -8.987 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.903 -5.491 -7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.400 -8.271 -9.750 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.784 -7.817 -7.241 1.00 0.00 H new ATOM 684 N GLU A 49 0.202 -3.541 -12.588 1.00 0.00 N ATOM 685 CA GLU A 49 0.566 -2.239 -13.120 1.00 0.00 C ATOM 686 C GLU A 49 -0.689 -1.458 -13.515 1.00 0.00 C ATOM 687 O GLU A 49 -0.764 -0.249 -13.301 1.00 0.00 O ATOM 688 CB GLU A 49 1.521 -2.379 -14.307 1.00 0.00 C ATOM 689 CG GLU A 49 1.476 -1.135 -15.197 1.00 0.00 C ATOM 690 CD GLU A 49 2.097 0.070 -14.487 1.00 0.00 C ATOM 691 OE1 GLU A 49 1.481 0.524 -13.498 1.00 0.00 O ATOM 692 OE2 GLU A 49 3.172 0.509 -14.949 1.00 0.00 O ATOM 0 H GLU A 49 0.493 -4.333 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 49 1.087 -1.682 -12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.537 -2.534 -13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.253 -3.259 -14.892 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.011 -1.329 -16.127 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.443 -0.912 -15.464 1.00 0.00 H new ATOM 699 N ASP A 50 -1.642 -2.180 -14.085 1.00 0.00 N ATOM 700 CA ASP A 50 -2.889 -1.569 -14.513 1.00 0.00 C ATOM 701 C ASP A 50 -3.907 -1.649 -13.373 1.00 0.00 C ATOM 702 O ASP A 50 -5.111 -1.549 -13.604 1.00 0.00 O ATOM 703 CB ASP A 50 -3.475 -2.301 -15.722 1.00 0.00 C ATOM 704 CG ASP A 50 -3.257 -1.605 -17.067 1.00 0.00 C ATOM 705 OD1 ASP A 50 -2.402 -0.694 -17.102 1.00 0.00 O ATOM 706 OD2 ASP A 50 -3.950 -2.001 -18.029 1.00 0.00 O ATOM 0 H ASP A 50 -1.576 -3.183 -14.261 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.682 -0.534 -14.784 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.038 -3.298 -15.771 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.546 -2.430 -15.566 1.00 0.00 H new ATOM 711 N ASP A 51 -3.386 -1.828 -12.168 1.00 0.00 N ATOM 712 CA ASP A 51 -4.235 -1.922 -10.992 1.00 0.00 C ATOM 713 C ASP A 51 -5.302 -0.826 -11.050 1.00 0.00 C ATOM 714 O ASP A 51 -5.211 0.091 -11.864 1.00 0.00 O ATOM 715 CB ASP A 51 -3.423 -1.724 -9.710 1.00 0.00 C ATOM 716 CG ASP A 51 -3.218 -2.989 -8.874 1.00 0.00 C ATOM 717 OD1 ASP A 51 -3.105 -4.068 -9.495 1.00 0.00 O ATOM 718 OD2 ASP A 51 -3.178 -2.848 -7.633 1.00 0.00 O ATOM 0 H ASP A 51 -2.387 -1.910 -11.980 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.690 -2.913 -10.982 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.446 -1.319 -9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.921 -0.976 -9.094 1.00 0.00 H new ATOM 723 N PRO A 52 -6.314 -0.963 -10.152 1.00 0.00 N ATOM 724 CA PRO A 52 -7.397 0.004 -10.093 1.00 0.00 C ATOM 725 C PRO A 52 -6.937 1.303 -9.429 1.00 0.00 C ATOM 726 O PRO A 52 -7.540 2.356 -9.632 1.00 0.00 O ATOM 727 CB PRO A 52 -8.507 -0.695 -9.325 1.00 0.00 C ATOM 728 CG PRO A 52 -7.842 -1.843 -8.584 1.00 0.00 C ATOM 729 CD PRO A 52 -6.454 -2.037 -9.173 1.00 0.00 C ATOM 0 HA PRO A 52 -7.744 0.307 -11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.992 -0.010 -8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.279 -1.062 -10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.777 -1.623 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.431 -2.755 -8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.685 -1.974 -8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.356 -3.016 -9.642 1.00 0.00 H new ATOM 737 N ASP A 53 -5.873 1.186 -8.648 1.00 0.00 N ATOM 738 CA ASP A 53 -5.325 2.338 -7.953 1.00 0.00 C ATOM 739 C ASP A 53 -4.192 1.881 -7.032 1.00 0.00 C ATOM 740 O ASP A 53 -4.412 1.633 -5.847 1.00 0.00 O ATOM 741 CB ASP A 53 -6.390 3.019 -7.091 1.00 0.00 C ATOM 742 CG ASP A 53 -7.163 4.142 -7.785 1.00 0.00 C ATOM 743 OD1 ASP A 53 -6.503 4.929 -8.498 1.00 0.00 O ATOM 744 OD2 ASP A 53 -8.396 4.189 -7.587 1.00 0.00 O ATOM 0 H ASP A 53 -5.376 0.311 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.962 3.043 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.100 2.264 -6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.910 3.425 -6.201 1.00 0.00 H new ATOM 749 N VAL A 54 -3.004 1.784 -7.611 1.00 0.00 N ATOM 750 CA VAL A 54 -1.836 1.361 -6.856 1.00 0.00 C ATOM 751 C VAL A 54 -1.163 2.587 -6.237 1.00 0.00 C ATOM 752 O VAL A 54 -0.475 2.476 -5.224 1.00 0.00 O ATOM 753 CB VAL A 54 -0.897 0.553 -7.755 1.00 0.00 C ATOM 754 CG1 VAL A 54 0.478 1.217 -7.848 1.00 0.00 C ATOM 755 CG2 VAL A 54 -0.777 -0.891 -7.265 1.00 0.00 C ATOM 0 H VAL A 54 -2.825 1.991 -8.594 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.127 0.703 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.327 0.532 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.126 0.623 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.371 2.218 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.918 1.283 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.104 -1.443 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.381 -0.899 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.760 -1.361 -7.275 1.00 0.00 H new ATOM 765 N ASP A 55 -1.386 3.729 -6.871 1.00 0.00 N ATOM 766 CA ASP A 55 -0.810 4.974 -6.395 1.00 0.00 C ATOM 767 C ASP A 55 -1.908 5.829 -5.759 1.00 0.00 C ATOM 768 O ASP A 55 -1.956 7.040 -5.969 1.00 0.00 O ATOM 769 CB ASP A 55 -0.196 5.773 -7.546 1.00 0.00 C ATOM 770 CG ASP A 55 1.190 5.303 -7.993 1.00 0.00 C ATOM 771 OD1 ASP A 55 1.233 4.431 -8.887 1.00 0.00 O ATOM 772 OD2 ASP A 55 2.176 5.826 -7.429 1.00 0.00 O ATOM 0 H ASP A 55 -1.958 3.818 -7.711 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.033 4.730 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.871 5.728 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.129 6.819 -7.247 1.00 0.00 H new ATOM 777 N GLU A 56 -2.762 5.165 -4.995 1.00 0.00 N ATOM 778 CA GLU A 56 -3.857 5.849 -4.327 1.00 0.00 C ATOM 779 C GLU A 56 -3.379 7.186 -3.758 1.00 0.00 C ATOM 780 O GLU A 56 -2.207 7.336 -3.417 1.00 0.00 O ATOM 781 CB GLU A 56 -4.464 4.972 -3.231 1.00 0.00 C ATOM 782 CG GLU A 56 -3.610 5.011 -1.962 1.00 0.00 C ATOM 783 CD GLU A 56 -4.273 4.223 -0.830 1.00 0.00 C ATOM 784 OE1 GLU A 56 -5.203 4.787 -0.215 1.00 0.00 O ATOM 785 OE2 GLU A 56 -3.835 3.074 -0.606 1.00 0.00 O ATOM 0 H GLU A 56 -2.718 4.161 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.638 6.047 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.474 5.314 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.547 3.945 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.624 4.596 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.461 6.045 -1.651 1.00 0.00 H new ATOM 792 N PRO A 57 -4.336 8.149 -3.671 1.00 0.00 N ATOM 793 CA PRO A 57 -4.024 9.469 -3.149 1.00 0.00 C ATOM 794 C PRO A 57 -3.871 9.434 -1.627 1.00 0.00 C ATOM 795 O PRO A 57 -4.663 8.797 -0.934 1.00 0.00 O ATOM 796 CB PRO A 57 -5.169 10.355 -3.611 1.00 0.00 C ATOM 797 CG PRO A 57 -6.305 9.413 -3.973 1.00 0.00 C ATOM 798 CD PRO A 57 -5.734 8.007 -4.066 1.00 0.00 C ATOM 0 HA PRO A 57 -3.070 9.851 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.470 11.046 -2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.874 10.959 -4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.091 9.456 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.756 9.705 -4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.264 7.320 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.822 7.610 -5.077 1.00 0.00 H new ATOM 806 N LEU A 58 -2.847 10.128 -1.151 1.00 0.00 N ATOM 807 CA LEU A 58 -2.581 10.184 0.276 1.00 0.00 C ATOM 808 C LEU A 58 -2.209 11.617 0.665 1.00 0.00 C ATOM 809 O LEU A 58 -1.034 11.927 0.855 1.00 0.00 O ATOM 810 CB LEU A 58 -1.524 9.148 0.665 1.00 0.00 C ATOM 811 CG LEU A 58 -0.138 9.339 0.048 1.00 0.00 C ATOM 812 CD1 LEU A 58 0.868 9.821 1.095 1.00 0.00 C ATOM 813 CD2 LEU A 58 0.331 8.061 -0.652 1.00 0.00 C ATOM 0 H LEU A 58 -2.192 10.656 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.475 9.921 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.421 9.154 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.891 8.161 0.385 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.207 10.117 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.845 9.949 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.536 10.774 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.941 9.085 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.319 8.224 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.380 7.247 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.371 7.801 -1.444 1.00 0.00 H new ATOM 825 N SER A 59 -3.233 12.451 0.772 1.00 0.00 N ATOM 826 CA SER A 59 -3.028 13.844 1.134 1.00 0.00 C ATOM 827 C SER A 59 -1.822 14.409 0.382 1.00 0.00 C ATOM 828 O SER A 59 -0.706 14.406 0.899 1.00 0.00 O ATOM 829 CB SER A 59 -2.831 13.996 2.644 1.00 0.00 C ATOM 830 OG SER A 59 -1.726 13.232 3.118 1.00 0.00 O ATOM 0 H SER A 59 -4.206 12.190 0.615 1.00 0.00 H new ATOM 0 HA SER A 59 -3.919 14.406 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.675 15.047 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.738 13.682 3.161 1.00 0.00 H new ATOM 0 HG SER A 59 -1.011 13.241 2.448 1.00 0.00 H new ATOM 836 N GLY A 60 -2.087 14.880 -0.828 1.00 0.00 N ATOM 837 CA GLY A 60 -1.037 15.447 -1.657 1.00 0.00 C ATOM 838 C GLY A 60 -1.512 15.621 -3.101 1.00 0.00 C ATOM 839 O GLY A 60 -1.482 14.675 -3.886 1.00 0.00 O ATOM 0 H GLY A 60 -3.014 14.880 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.730 16.412 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.161 14.799 -1.634 1.00 0.00 H new ATOM 843 N PRO A 61 -1.951 16.870 -3.415 1.00 0.00 N ATOM 844 CA PRO A 61 -2.431 17.180 -4.750 1.00 0.00 C ATOM 845 C PRO A 61 -1.269 17.303 -5.737 1.00 0.00 C ATOM 846 O PRO A 61 -0.264 17.949 -5.441 1.00 0.00 O ATOM 847 CB PRO A 61 -3.218 18.471 -4.595 1.00 0.00 C ATOM 848 CG PRO A 61 -2.762 19.081 -3.279 1.00 0.00 C ATOM 849 CD PRO A 61 -2.001 18.014 -2.510 1.00 0.00 C ATOM 0 HA PRO A 61 -3.061 16.392 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.025 19.148 -5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.290 18.276 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.126 19.948 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.619 19.429 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.000 18.354 -2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.507 17.760 -1.579 1.00 0.00 H new ATOM 857 N SER A 62 -1.443 16.674 -6.890 1.00 0.00 N ATOM 858 CA SER A 62 -0.421 16.705 -7.921 1.00 0.00 C ATOM 859 C SER A 62 -0.759 17.775 -8.961 1.00 0.00 C ATOM 860 O SER A 62 0.027 18.693 -9.190 1.00 0.00 O ATOM 861 CB SER A 62 -0.275 15.338 -8.594 1.00 0.00 C ATOM 862 OG SER A 62 0.858 14.623 -8.111 1.00 0.00 O ATOM 0 H SER A 62 -2.277 16.140 -7.133 1.00 0.00 H new ATOM 0 HA SER A 62 0.531 16.952 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.176 14.750 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.186 15.472 -9.672 1.00 0.00 H new ATOM 0 HG SER A 62 0.915 13.756 -8.564 1.00 0.00 H new ATOM 868 N SER A 63 -1.929 17.622 -9.563 1.00 0.00 N ATOM 869 CA SER A 63 -2.381 18.564 -10.572 1.00 0.00 C ATOM 870 C SER A 63 -1.334 18.684 -11.681 1.00 0.00 C ATOM 871 O SER A 63 -0.381 19.453 -11.560 1.00 0.00 O ATOM 872 CB SER A 63 -2.664 19.936 -9.958 1.00 0.00 C ATOM 873 OG SER A 63 -3.732 20.608 -10.621 1.00 0.00 O ATOM 0 H SER A 63 -2.578 16.859 -9.371 1.00 0.00 H new ATOM 0 HA SER A 63 -3.311 18.189 -10.998 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.910 19.817 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.764 20.548 -10.008 1.00 0.00 H new ATOM 0 HG SER A 63 -3.883 21.479 -10.198 1.00 0.00 H new ATOM 879 N GLY A 64 -1.545 17.913 -12.738 1.00 0.00 N ATOM 880 CA GLY A 64 -0.632 17.923 -13.867 1.00 0.00 C ATOM 881 C GLY A 64 -1.396 17.854 -15.191 1.00 0.00 C ATOM 882 O GLY A 64 -1.512 18.853 -15.898 1.00 0.00 O ATOM 0 H GLY A 64 -2.336 17.277 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.025 18.828 -13.840 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.052 17.078 -13.793 1.00 0.00 H new TER 886 GLY A 64