USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 429 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 13 ASN : amide:sc= 1.01 K(o=-1.6,f=-17!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -123:sc= -2.58! (180deg=-4.32!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -179:sc= -0.309 USER MOD Single : A 6 GLN :FLIP amide:sc=-0.00733 F(o=-1.3!,f=-0.0073) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 57:sc= 1.25 USER MOD Single : A 15 MET CE :methyl -157:sc= -0.207 (180deg=-0.78) USER MOD Single : A 16 SER OG : rot -84:sc= 0.786 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.818 F(o=-2.6,f=-0.82) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 25 GLN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= 1.19 (180deg=1.04) USER MOD Single : A 32 GLN : amide:sc= -0.909 K(o=-0.91,f=-1.9) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.92 F(o=-3.1!,f=-1.9) USER MOD Single : A 34 ASN : amide:sc= -0.555 K(o=-0.56,f=-1.7) USER MOD Single : A 37 MET CE :methyl 172:sc= -1.24 (180deg=-1.33) USER MOD Single : A 40 ASN : amide:sc= -0.171 K(o=-0.17,f=-2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.503 USER MOD Single : A 53 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.1 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.273 21.387 -2.646 1.00 0.00 N ATOM 2 CA ALA A 1 -5.046 20.403 -1.858 1.00 0.00 C ATOM 3 C ALA A 1 -4.104 19.409 -1.191 1.00 0.00 C ATOM 4 O ALA A 1 -3.228 18.836 -1.840 1.00 0.00 O ATOM 5 CB ALA A 1 -6.036 19.672 -2.751 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.925 22.060 -3.097 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.624 21.902 -2.018 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.726 20.892 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.602 20.933 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.598 18.951 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.724 20.391 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.496 19.150 -3.541 1.00 0.00 H new ATOM 13 N THR A 2 -4.289 19.212 0.107 1.00 0.00 N ATOM 14 CA THR A 2 -3.429 18.333 0.882 1.00 0.00 C ATOM 15 C THR A 2 -3.876 16.881 0.746 1.00 0.00 C ATOM 16 O THR A 2 -3.054 15.977 0.590 1.00 0.00 O ATOM 17 CB THR A 2 -3.442 18.732 2.370 1.00 0.00 C ATOM 18 OG1 THR A 2 -3.198 20.138 2.493 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.390 17.964 3.156 1.00 0.00 C ATOM 0 H THR A 2 -5.033 19.653 0.647 1.00 0.00 H new ATOM 0 HA THR A 2 -2.416 18.433 0.492 1.00 0.00 H new ATOM 0 HB THR A 2 -4.422 18.487 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.208 20.390 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.424 18.268 4.202 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.589 16.895 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.402 18.179 2.748 1.00 0.00 H new ATOM 27 N ALA A 3 -5.184 16.667 0.790 1.00 0.00 N ATOM 28 CA ALA A 3 -5.740 15.327 0.677 1.00 0.00 C ATOM 29 C ALA A 3 -6.055 15.011 -0.778 1.00 0.00 C ATOM 30 O ALA A 3 -7.220 14.905 -1.168 1.00 0.00 O ATOM 31 CB ALA A 3 -6.986 15.192 1.542 1.00 0.00 C ATOM 0 H ALA A 3 -5.879 17.405 0.903 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.001 14.609 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.389 14.184 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.728 15.381 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.735 15.914 1.217 1.00 0.00 H new ATOM 37 N SER A 4 -5.007 14.880 -1.576 1.00 0.00 N ATOM 38 CA SER A 4 -5.146 14.654 -2.998 1.00 0.00 C ATOM 39 C SER A 4 -5.809 13.304 -3.291 1.00 0.00 C ATOM 40 O SER A 4 -5.379 12.253 -2.804 1.00 0.00 O ATOM 41 CB SER A 4 -3.764 14.742 -3.637 1.00 0.00 C ATOM 42 OG SER A 4 -2.822 13.956 -2.929 1.00 0.00 O ATOM 0 H SER A 4 -4.041 14.928 -1.253 1.00 0.00 H new ATOM 0 HA SER A 4 -5.797 15.417 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.817 14.406 -4.673 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.434 15.781 -3.655 1.00 0.00 H new ATOM 0 HG SER A 4 -1.942 14.041 -3.351 1.00 0.00 H new ATOM 48 N PRO A 5 -6.883 13.329 -4.098 1.00 0.00 N ATOM 49 CA PRO A 5 -7.643 12.131 -4.456 1.00 0.00 C ATOM 50 C PRO A 5 -6.835 11.159 -5.307 1.00 0.00 C ATOM 51 O PRO A 5 -7.054 9.951 -5.261 1.00 0.00 O ATOM 52 CB PRO A 5 -8.830 12.683 -5.253 1.00 0.00 C ATOM 53 CG PRO A 5 -8.361 13.997 -5.767 1.00 0.00 C ATOM 54 CD PRO A 5 -7.459 14.544 -4.704 1.00 0.00 C ATOM 0 HA PRO A 5 -7.934 11.559 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.105 12.014 -6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.712 12.796 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.829 13.882 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.200 14.668 -5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.688 15.190 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.010 15.137 -3.974 1.00 0.00 H new ATOM 62 N GLN A 6 -5.878 11.692 -6.055 1.00 0.00 N ATOM 63 CA GLN A 6 -5.061 10.879 -6.951 1.00 0.00 C ATOM 64 C GLN A 6 -4.100 10.032 -6.149 1.00 0.00 C ATOM 65 O GLN A 6 -3.930 8.851 -6.406 1.00 0.00 O ATOM 66 CB GLN A 6 -4.260 11.749 -7.915 1.00 0.00 C ATOM 67 CG GLN A 6 -5.100 12.655 -8.796 1.00 0.00 C ATOM 68 CD GLN A 6 -4.247 13.451 -9.766 1.00 0.00 C ATOM 69 OE1 GLN A 6 -3.138 12.872 -10.198 1.00 0.00 O flip ATOM 70 NE2 GLN A 6 -4.584 14.577 -10.130 1.00 0.00 N flip ATOM 0 H GLN A 6 -5.647 12.685 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.735 10.244 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.568 12.364 -7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.657 11.102 -8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.819 12.054 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.673 13.339 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.446 14.991 -9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -4.001 15.096 -10.786 1.00 0.00 H new ATOM 79 N LEU A 7 -3.492 10.660 -5.163 1.00 0.00 N ATOM 80 CA LEU A 7 -2.542 9.999 -4.284 1.00 0.00 C ATOM 81 C LEU A 7 -3.246 8.863 -3.562 1.00 0.00 C ATOM 82 O LEU A 7 -2.759 7.739 -3.516 1.00 0.00 O ATOM 83 CB LEU A 7 -1.972 11.015 -3.285 1.00 0.00 C ATOM 84 CG LEU A 7 -0.644 10.642 -2.625 1.00 0.00 C ATOM 85 CD1 LEU A 7 -0.091 11.832 -1.859 1.00 0.00 C ATOM 86 CD2 LEU A 7 -0.829 9.459 -1.695 1.00 0.00 C ATOM 0 H LEU A 7 -3.641 11.645 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.714 9.589 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.843 11.967 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.711 11.175 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 7 0.066 10.362 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.855 11.557 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.071 12.663 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.802 12.131 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.126 9.206 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.551 9.715 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.195 8.604 -2.263 1.00 0.00 H new ATOM 98 N SER A 8 -4.408 9.170 -3.017 1.00 0.00 N ATOM 99 CA SER A 8 -5.244 8.173 -2.384 1.00 0.00 C ATOM 100 C SER A 8 -5.592 7.057 -3.375 1.00 0.00 C ATOM 101 O SER A 8 -5.663 5.882 -3.012 1.00 0.00 O ATOM 102 CB SER A 8 -6.498 8.863 -1.857 1.00 0.00 C ATOM 103 OG SER A 8 -7.410 7.937 -1.289 1.00 0.00 O ATOM 0 H SER A 8 -4.796 10.113 -3.001 1.00 0.00 H new ATOM 0 HA SER A 8 -4.714 7.708 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.218 9.603 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.986 9.401 -2.670 1.00 0.00 H new ATOM 0 HG SER A 8 -8.200 8.415 -0.961 1.00 0.00 H new ATOM 109 N SER A 9 -5.766 7.439 -4.632 1.00 0.00 N ATOM 110 CA SER A 9 -6.053 6.495 -5.700 1.00 0.00 C ATOM 111 C SER A 9 -4.870 5.562 -5.956 1.00 0.00 C ATOM 112 O SER A 9 -5.060 4.402 -6.325 1.00 0.00 O ATOM 113 CB SER A 9 -6.409 7.260 -6.975 1.00 0.00 C ATOM 114 OG SER A 9 -7.661 7.913 -6.847 1.00 0.00 O ATOM 0 H SER A 9 -5.712 8.410 -4.939 1.00 0.00 H new ATOM 0 HA SER A 9 -6.898 5.878 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.633 7.994 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.439 6.571 -7.819 1.00 0.00 H new ATOM 0 HG SER A 9 -7.642 8.507 -6.068 1.00 0.00 H new ATOM 120 N GLU A 10 -3.654 6.058 -5.750 1.00 0.00 N ATOM 121 CA GLU A 10 -2.463 5.242 -5.954 1.00 0.00 C ATOM 122 C GLU A 10 -2.497 4.066 -4.990 1.00 0.00 C ATOM 123 O GLU A 10 -2.262 2.916 -5.373 1.00 0.00 O ATOM 124 CB GLU A 10 -1.191 6.064 -5.739 1.00 0.00 C ATOM 125 CG GLU A 10 -1.254 7.476 -6.303 1.00 0.00 C ATOM 126 CD GLU A 10 -1.390 7.536 -7.814 1.00 0.00 C ATOM 127 OE1 GLU A 10 -2.313 6.902 -8.371 1.00 0.00 O ATOM 128 OE2 GLU A 10 -0.589 8.253 -8.450 1.00 0.00 O ATOM 0 H GLU A 10 -3.468 7.013 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.454 4.878 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.986 6.121 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.352 5.540 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.098 7.998 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.353 8.014 -6.009 1.00 0.00 H new ATOM 135 N ILE A 11 -2.824 4.369 -3.735 1.00 0.00 N ATOM 136 CA ILE A 11 -3.010 3.348 -2.719 1.00 0.00 C ATOM 137 C ILE A 11 -4.104 2.374 -3.131 1.00 0.00 C ATOM 138 O ILE A 11 -3.908 1.158 -3.091 1.00 0.00 O ATOM 139 CB ILE A 11 -3.372 3.959 -1.342 1.00 0.00 C ATOM 140 CG1 ILE A 11 -2.156 4.644 -0.714 1.00 0.00 C ATOM 141 CG2 ILE A 11 -3.937 2.903 -0.408 1.00 0.00 C ATOM 142 CD1 ILE A 11 -2.013 6.098 -1.090 1.00 0.00 C ATOM 0 H ILE A 11 -2.965 5.322 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.060 2.821 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.143 4.713 -1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.226 4.564 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.255 4.110 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.182 3.359 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.838 2.474 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.197 2.117 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.129 6.514 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.910 6.186 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.897 6.647 -0.764 1.00 0.00 H new ATOM 154 N GLU A 12 -5.246 2.911 -3.548 1.00 0.00 N ATOM 155 CA GLU A 12 -6.379 2.084 -3.941 1.00 0.00 C ATOM 156 C GLU A 12 -6.019 1.190 -5.124 1.00 0.00 C ATOM 157 O GLU A 12 -6.599 0.116 -5.302 1.00 0.00 O ATOM 158 CB GLU A 12 -7.588 2.944 -4.302 1.00 0.00 C ATOM 159 CG GLU A 12 -8.078 3.817 -3.165 1.00 0.00 C ATOM 160 CD GLU A 12 -9.375 4.520 -3.496 1.00 0.00 C ATOM 161 OE1 GLU A 12 -9.350 5.491 -4.282 1.00 0.00 O ATOM 162 OE2 GLU A 12 -10.428 4.103 -2.974 1.00 0.00 O ATOM 0 H GLU A 12 -5.410 3.915 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.634 1.457 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.331 3.578 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.401 2.294 -4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.217 3.205 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.316 4.559 -2.926 1.00 0.00 H new ATOM 169 N ASN A 13 -5.056 1.634 -5.926 1.00 0.00 N ATOM 170 CA ASN A 13 -4.619 0.869 -7.085 1.00 0.00 C ATOM 171 C ASN A 13 -4.016 -0.472 -6.684 1.00 0.00 C ATOM 172 O ASN A 13 -4.412 -1.508 -7.212 1.00 0.00 O ATOM 173 CB ASN A 13 -3.619 1.654 -7.932 1.00 0.00 C ATOM 174 CG ASN A 13 -2.965 0.770 -8.972 1.00 0.00 C ATOM 175 OD1 ASN A 13 -1.877 0.243 -8.755 1.00 0.00 O ATOM 176 ND2 ASN A 13 -3.625 0.583 -10.095 1.00 0.00 N ATOM 0 H ASN A 13 -4.565 2.518 -5.793 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.510 0.680 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.128 2.483 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.854 2.087 -7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.235 -0.017 -10.822 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.526 1.038 -10.239 1.00 0.00 H new ATOM 183 N LEU A 14 -3.073 -0.481 -5.742 1.00 0.00 N ATOM 184 CA LEU A 14 -2.506 -1.759 -5.330 1.00 0.00 C ATOM 185 C LEU A 14 -3.423 -2.435 -4.309 1.00 0.00 C ATOM 186 O LEU A 14 -3.379 -3.651 -4.125 1.00 0.00 O ATOM 187 CB LEU A 14 -1.026 -1.703 -4.842 1.00 0.00 C ATOM 188 CG LEU A 14 -0.636 -0.753 -3.701 1.00 0.00 C ATOM 189 CD1 LEU A 14 -0.839 0.685 -4.101 1.00 0.00 C ATOM 190 CD2 LEU A 14 -1.386 -1.078 -2.432 1.00 0.00 C ATOM 0 H LEU A 14 -2.701 0.343 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.455 -2.368 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.746 -2.711 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.409 -1.448 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 14 0.425 -0.897 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.555 1.336 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.221 0.912 -4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.888 0.849 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.086 -0.386 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.458 -0.984 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.157 -2.099 -2.125 1.00 0.00 H new ATOM 202 N MET A 15 -4.239 -1.625 -3.637 1.00 0.00 N ATOM 203 CA MET A 15 -5.245 -2.117 -2.694 1.00 0.00 C ATOM 204 C MET A 15 -6.182 -3.109 -3.364 1.00 0.00 C ATOM 205 O MET A 15 -6.461 -4.180 -2.825 1.00 0.00 O ATOM 206 CB MET A 15 -6.060 -0.946 -2.160 1.00 0.00 C ATOM 207 CG MET A 15 -5.687 -0.514 -0.756 1.00 0.00 C ATOM 208 SD MET A 15 -6.117 -1.745 0.495 1.00 0.00 S ATOM 209 CE MET A 15 -7.898 -1.799 0.321 1.00 0.00 C ATOM 0 H MET A 15 -4.222 -0.609 -3.730 1.00 0.00 H new ATOM 0 HA MET A 15 -4.728 -2.620 -1.877 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.938 -0.097 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.116 -1.216 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.615 -0.319 -0.714 1.00 0.00 H new ATOM 0 HG3 MET A 15 -6.191 0.424 -0.524 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.343 -2.170 1.245 1.00 0.00 H new ATOM 0 HE2 MET A 15 -8.274 -0.797 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.163 -2.463 -0.501 1.00 0.00 H new ATOM 219 N SER A 16 -6.641 -2.751 -4.556 1.00 0.00 N ATOM 220 CA SER A 16 -7.589 -3.565 -5.302 1.00 0.00 C ATOM 221 C SER A 16 -6.917 -4.818 -5.860 1.00 0.00 C ATOM 222 O SER A 16 -7.564 -5.658 -6.487 1.00 0.00 O ATOM 223 CB SER A 16 -8.216 -2.733 -6.427 1.00 0.00 C ATOM 224 OG SER A 16 -7.228 -1.987 -7.118 1.00 0.00 O ATOM 0 H SER A 16 -6.367 -1.891 -5.031 1.00 0.00 H new ATOM 0 HA SER A 16 -8.378 -3.891 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.735 -3.390 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.963 -2.057 -6.011 1.00 0.00 H new ATOM 0 HG SER A 16 -7.049 -1.154 -6.634 1.00 0.00 H new ATOM 230 N GLN A 17 -5.613 -4.939 -5.633 1.00 0.00 N ATOM 231 CA GLN A 17 -4.890 -6.137 -6.003 1.00 0.00 C ATOM 232 C GLN A 17 -5.010 -7.175 -4.897 1.00 0.00 C ATOM 233 O GLN A 17 -4.794 -8.363 -5.121 1.00 0.00 O ATOM 234 CB GLN A 17 -3.422 -5.817 -6.281 1.00 0.00 C ATOM 235 CG GLN A 17 -3.228 -4.851 -7.440 1.00 0.00 C ATOM 236 CD GLN A 17 -1.783 -4.476 -7.664 1.00 0.00 C ATOM 237 OE1 GLN A 17 -1.004 -4.471 -6.602 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -1.368 -4.188 -8.785 1.00 0.00 N flip ATOM 0 H GLN A 17 -5.040 -4.218 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.326 -6.542 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.973 -5.392 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.889 -6.743 -6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.626 -5.300 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.807 -3.947 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.003 -4.203 -9.583 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.389 -3.934 -8.917 1.00 0.00 H new ATOM 247 N GLY A 18 -5.366 -6.716 -3.701 1.00 0.00 N ATOM 248 CA GLY A 18 -5.564 -7.620 -2.585 1.00 0.00 C ATOM 249 C GLY A 18 -4.594 -7.366 -1.449 1.00 0.00 C ATOM 250 O GLY A 18 -4.678 -8.005 -0.399 1.00 0.00 O ATOM 0 H GLY A 18 -5.521 -5.731 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.585 -7.517 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.452 -8.648 -2.931 1.00 0.00 H new ATOM 254 N TYR A 19 -3.675 -6.428 -1.655 1.00 0.00 N ATOM 255 CA TYR A 19 -2.652 -6.126 -0.654 1.00 0.00 C ATOM 256 C TYR A 19 -3.275 -5.571 0.632 1.00 0.00 C ATOM 257 O TYR A 19 -4.454 -5.216 0.664 1.00 0.00 O ATOM 258 CB TYR A 19 -1.635 -5.137 -1.222 1.00 0.00 C ATOM 259 CG TYR A 19 -0.628 -5.776 -2.153 1.00 0.00 C ATOM 260 CD1 TYR A 19 0.402 -6.565 -1.654 1.00 0.00 C ATOM 261 CD2 TYR A 19 -0.703 -5.591 -3.525 1.00 0.00 C ATOM 262 CE1 TYR A 19 1.326 -7.147 -2.496 1.00 0.00 C ATOM 263 CE2 TYR A 19 0.219 -6.171 -4.375 1.00 0.00 C ATOM 264 CZ TYR A 19 1.231 -6.947 -3.855 1.00 0.00 C ATOM 265 OH TYR A 19 2.153 -7.529 -4.697 1.00 0.00 O ATOM 0 H TYR A 19 -3.616 -5.864 -2.503 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.142 -7.056 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.165 -4.350 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.105 -4.660 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.480 -6.725 -0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.495 -4.983 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.120 -7.757 -2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.146 -6.017 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 19 1.945 -7.291 -5.625 1.00 0.00 H new ATOM 275 N SER A 20 -2.467 -5.480 1.687 1.00 0.00 N ATOM 276 CA SER A 20 -2.977 -5.138 3.012 1.00 0.00 C ATOM 277 C SER A 20 -2.619 -3.710 3.409 1.00 0.00 C ATOM 278 O SER A 20 -1.460 -3.300 3.343 1.00 0.00 O ATOM 279 CB SER A 20 -2.438 -6.113 4.054 1.00 0.00 C ATOM 280 OG SER A 20 -2.813 -7.443 3.740 1.00 0.00 O ATOM 0 H SER A 20 -1.460 -5.638 1.650 1.00 0.00 H new ATOM 0 HA SER A 20 -4.064 -5.211 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.352 -6.038 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.819 -5.846 5.040 1.00 0.00 H new ATOM 0 HG SER A 20 -2.456 -8.053 4.419 1.00 0.00 H new ATOM 286 N TYR A 21 -3.639 -2.988 3.872 1.00 0.00 N ATOM 287 CA TYR A 21 -3.544 -1.550 4.142 1.00 0.00 C ATOM 288 C TYR A 21 -2.505 -1.239 5.212 1.00 0.00 C ATOM 289 O TYR A 21 -1.901 -0.164 5.200 1.00 0.00 O ATOM 290 CB TYR A 21 -4.910 -0.984 4.569 1.00 0.00 C ATOM 291 CG TYR A 21 -5.422 -1.513 5.898 1.00 0.00 C ATOM 292 CD1 TYR A 21 -6.116 -2.710 5.971 1.00 0.00 C ATOM 293 CD2 TYR A 21 -5.206 -0.809 7.077 1.00 0.00 C ATOM 294 CE1 TYR A 21 -6.581 -3.196 7.178 1.00 0.00 C ATOM 295 CE2 TYR A 21 -5.667 -1.288 8.290 1.00 0.00 C ATOM 296 CZ TYR A 21 -6.353 -2.482 8.334 1.00 0.00 C ATOM 297 OH TYR A 21 -6.812 -2.968 9.540 1.00 0.00 O ATOM 0 H TYR A 21 -4.558 -3.383 4.072 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.229 -1.073 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.837 0.102 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.642 -1.213 3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.297 -3.274 5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.669 0.128 7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.120 -4.131 7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.490 -0.729 9.197 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.568 -2.346 10.257 1.00 0.00 H new ATOM 307 N GLN A 22 -2.318 -2.169 6.140 1.00 0.00 N ATOM 308 CA GLN A 22 -1.352 -1.992 7.220 1.00 0.00 C ATOM 309 C GLN A 22 0.047 -1.729 6.665 1.00 0.00 C ATOM 310 O GLN A 22 0.691 -0.738 7.013 1.00 0.00 O ATOM 311 CB GLN A 22 -1.340 -3.216 8.148 1.00 0.00 C ATOM 312 CG GLN A 22 -1.123 -4.544 7.436 1.00 0.00 C ATOM 313 CD GLN A 22 -0.964 -5.703 8.399 1.00 0.00 C ATOM 314 OE1 GLN A 22 -0.501 -5.533 9.527 1.00 0.00 O ATOM 315 NE2 GLN A 22 -1.328 -6.894 7.955 1.00 0.00 N ATOM 0 H GLN A 22 -2.823 -3.055 6.168 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.657 -1.122 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.555 -3.084 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.287 -3.257 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.967 -4.739 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.235 -4.474 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.708 -6.993 7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.229 -7.714 8.554 1.00 0.00 H new ATOM 324 N ASP A 23 0.499 -2.606 5.784 1.00 0.00 N ATOM 325 CA ASP A 23 1.815 -2.472 5.187 1.00 0.00 C ATOM 326 C ASP A 23 1.789 -1.474 4.046 1.00 0.00 C ATOM 327 O ASP A 23 2.818 -0.919 3.683 1.00 0.00 O ATOM 328 CB ASP A 23 2.335 -3.812 4.690 1.00 0.00 C ATOM 329 CG ASP A 23 2.600 -4.789 5.815 1.00 0.00 C ATOM 330 OD1 ASP A 23 1.675 -5.536 6.187 1.00 0.00 O ATOM 331 OD2 ASP A 23 3.739 -4.816 6.331 1.00 0.00 O ATOM 0 H ASP A 23 -0.028 -3.420 5.467 1.00 0.00 H new ATOM 0 HA ASP A 23 2.490 -2.107 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.610 -4.245 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.255 -3.654 4.127 1.00 0.00 H new ATOM 336 N ILE A 24 0.615 -1.262 3.469 1.00 0.00 N ATOM 337 CA ILE A 24 0.437 -0.231 2.455 1.00 0.00 C ATOM 338 C ILE A 24 0.793 1.143 3.019 1.00 0.00 C ATOM 339 O ILE A 24 1.575 1.887 2.426 1.00 0.00 O ATOM 340 CB ILE A 24 -1.015 -0.217 1.932 1.00 0.00 C ATOM 341 CG1 ILE A 24 -1.247 -1.409 1.006 1.00 0.00 C ATOM 342 CG2 ILE A 24 -1.343 1.091 1.227 1.00 0.00 C ATOM 343 CD1 ILE A 24 -2.695 -1.610 0.623 1.00 0.00 C ATOM 0 H ILE A 24 -0.230 -1.791 3.686 1.00 0.00 H new ATOM 0 HA ILE A 24 1.106 -0.461 1.625 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.686 -0.299 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.656 -1.274 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.881 -2.313 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.373 1.065 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.220 1.920 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.671 1.226 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.781 -2.475 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.289 -1.778 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.061 -0.723 0.106 1.00 0.00 H new ATOM 355 N GLN A 25 0.228 1.466 4.177 1.00 0.00 N ATOM 356 CA GLN A 25 0.526 2.727 4.838 1.00 0.00 C ATOM 357 C GLN A 25 1.989 2.738 5.279 1.00 0.00 C ATOM 358 O GLN A 25 2.650 3.775 5.270 1.00 0.00 O ATOM 359 CB GLN A 25 -0.411 2.950 6.034 1.00 0.00 C ATOM 360 CG GLN A 25 -0.287 4.334 6.661 1.00 0.00 C ATOM 361 CD GLN A 25 0.384 4.313 8.024 1.00 0.00 C ATOM 362 OE1 GLN A 25 -0.278 4.239 9.059 1.00 0.00 O ATOM 363 NE2 GLN A 25 1.706 4.382 8.041 1.00 0.00 N ATOM 0 H GLN A 25 -0.436 0.873 4.674 1.00 0.00 H new ATOM 0 HA GLN A 25 0.363 3.545 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.441 2.799 5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.202 2.197 6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.282 4.980 5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.280 4.773 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.225 4.442 7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.206 4.375 8.930 1.00 0.00 H new ATOM 372 N LYS A 26 2.476 1.568 5.665 1.00 0.00 N ATOM 373 CA LYS A 26 3.882 1.376 6.000 1.00 0.00 C ATOM 374 C LYS A 26 4.780 1.707 4.806 1.00 0.00 C ATOM 375 O LYS A 26 5.768 2.428 4.937 1.00 0.00 O ATOM 376 CB LYS A 26 4.085 -0.070 6.450 1.00 0.00 C ATOM 377 CG LYS A 26 3.916 -0.271 7.944 1.00 0.00 C ATOM 378 CD LYS A 26 3.939 -1.745 8.304 1.00 0.00 C ATOM 379 CE LYS A 26 5.294 -2.368 8.029 1.00 0.00 C ATOM 380 NZ LYS A 26 5.284 -3.834 8.250 1.00 0.00 N ATOM 0 H LYS A 26 1.909 0.725 5.755 1.00 0.00 H new ATOM 0 HA LYS A 26 4.158 2.052 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.376 -0.708 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.084 -0.395 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.713 0.249 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.974 0.171 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.690 -1.866 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.174 -2.271 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.588 -2.158 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.042 -1.909 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.255 -4.166 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.692 -4.057 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.898 -4.309 7.409 1.00 0.00 H new ATOM 394 N ALA A 27 4.409 1.199 3.642 1.00 0.00 N ATOM 395 CA ALA A 27 5.145 1.461 2.415 1.00 0.00 C ATOM 396 C ALA A 27 5.210 2.949 2.121 1.00 0.00 C ATOM 397 O ALA A 27 6.229 3.452 1.667 1.00 0.00 O ATOM 398 CB ALA A 27 4.502 0.731 1.250 1.00 0.00 C ATOM 0 H ALA A 27 3.595 0.597 3.521 1.00 0.00 H new ATOM 0 HA ALA A 27 6.163 1.095 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.063 0.936 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.506 -0.341 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.474 1.073 1.129 1.00 0.00 H new ATOM 404 N LEU A 28 4.124 3.652 2.395 1.00 0.00 N ATOM 405 CA LEU A 28 4.047 5.077 2.128 1.00 0.00 C ATOM 406 C LEU A 28 5.053 5.868 2.957 1.00 0.00 C ATOM 407 O LEU A 28 5.631 6.834 2.472 1.00 0.00 O ATOM 408 CB LEU A 28 2.639 5.574 2.416 1.00 0.00 C ATOM 409 CG LEU A 28 1.561 5.013 1.493 1.00 0.00 C ATOM 410 CD1 LEU A 28 0.195 5.216 2.107 1.00 0.00 C ATOM 411 CD2 LEU A 28 1.637 5.664 0.120 1.00 0.00 C ATOM 0 H LEU A 28 3.279 3.255 2.805 1.00 0.00 H new ATOM 0 HA LEU A 28 4.291 5.233 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.383 5.322 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.631 6.661 2.342 1.00 0.00 H new ATOM 0 HG LEU A 28 1.731 3.944 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.567 4.812 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.147 4.701 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.018 6.281 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.860 5.250 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.491 6.740 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.615 5.469 -0.321 1.00 0.00 H new ATOM 423 N VAL A 29 5.268 5.458 4.203 1.00 0.00 N ATOM 424 CA VAL A 29 6.166 6.195 5.088 1.00 0.00 C ATOM 425 C VAL A 29 7.620 6.056 4.638 1.00 0.00 C ATOM 426 O VAL A 29 8.425 6.966 4.839 1.00 0.00 O ATOM 427 CB VAL A 29 6.021 5.784 6.575 1.00 0.00 C ATOM 428 CG1 VAL A 29 4.559 5.694 6.971 1.00 0.00 C ATOM 429 CG2 VAL A 29 6.734 4.487 6.882 1.00 0.00 C ATOM 0 H VAL A 29 4.840 4.631 4.619 1.00 0.00 H new ATOM 0 HA VAL A 29 5.871 7.242 5.016 1.00 0.00 H new ATOM 0 HB VAL A 29 6.498 6.564 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.483 5.404 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.083 6.664 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.059 4.949 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.604 4.241 7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.317 3.688 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.796 4.595 6.663 1.00 0.00 H new ATOM 439 N ILE A 30 7.959 4.927 4.024 1.00 0.00 N ATOM 440 CA ILE A 30 9.293 4.739 3.495 1.00 0.00 C ATOM 441 C ILE A 30 9.361 5.309 2.084 1.00 0.00 C ATOM 442 O ILE A 30 10.404 5.787 1.633 1.00 0.00 O ATOM 443 CB ILE A 30 9.730 3.239 3.564 1.00 0.00 C ATOM 444 CG1 ILE A 30 10.882 2.919 2.596 1.00 0.00 C ATOM 445 CG2 ILE A 30 8.548 2.303 3.329 1.00 0.00 C ATOM 446 CD1 ILE A 30 10.437 2.611 1.183 1.00 0.00 C ATOM 0 H ILE A 30 7.329 4.137 3.884 1.00 0.00 H new ATOM 0 HA ILE A 30 10.008 5.283 4.113 1.00 0.00 H new ATOM 0 HB ILE A 30 10.103 3.071 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.568 3.766 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.441 2.067 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.887 1.268 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.789 2.477 4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.123 2.494 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.309 2.397 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.776 1.744 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.905 3.470 0.774 1.00 0.00 H new ATOM 458 N ALA A 31 8.221 5.308 1.410 1.00 0.00 N ATOM 459 CA ALA A 31 8.147 5.751 0.031 1.00 0.00 C ATOM 460 C ALA A 31 7.791 7.221 -0.090 1.00 0.00 C ATOM 461 O ALA A 31 7.473 7.668 -1.180 1.00 0.00 O ATOM 462 CB ALA A 31 7.113 4.942 -0.736 1.00 0.00 C ATOM 0 H ALA A 31 7.330 5.003 1.801 1.00 0.00 H new ATOM 0 HA ALA A 31 9.141 5.600 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.072 5.289 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.390 3.888 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.135 5.068 -0.272 1.00 0.00 H new ATOM 468 N GLN A 32 7.837 7.961 1.026 1.00 0.00 N ATOM 469 CA GLN A 32 7.399 9.368 1.069 1.00 0.00 C ATOM 470 C GLN A 32 6.102 9.551 0.268 1.00 0.00 C ATOM 471 O GLN A 32 5.974 10.464 -0.547 1.00 0.00 O ATOM 472 CB GLN A 32 8.495 10.351 0.595 1.00 0.00 C ATOM 473 CG GLN A 32 9.096 10.063 -0.779 1.00 0.00 C ATOM 474 CD GLN A 32 10.244 9.069 -0.732 1.00 0.00 C ATOM 475 OE1 GLN A 32 11.015 9.035 0.232 1.00 0.00 O ATOM 476 NE2 GLN A 32 10.342 8.223 -1.751 1.00 0.00 N ATOM 0 H GLN A 32 8.176 7.607 1.920 1.00 0.00 H new ATOM 0 HA GLN A 32 7.203 9.611 2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.074 11.357 0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.300 10.351 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.316 9.678 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.449 10.996 -1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.685 8.284 -2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.074 7.513 -1.755 1.00 0.00 H new ATOM 485 N ASN A 33 5.152 8.648 0.538 1.00 0.00 N ATOM 486 CA ASN A 33 3.858 8.555 -0.154 1.00 0.00 C ATOM 487 C ASN A 33 3.987 8.590 -1.682 1.00 0.00 C ATOM 488 O ASN A 33 3.183 9.212 -2.373 1.00 0.00 O ATOM 489 CB ASN A 33 2.835 9.600 0.347 1.00 0.00 C ATOM 490 CG ASN A 33 3.265 11.050 0.196 1.00 0.00 C ATOM 491 OD1 ASN A 33 3.030 11.622 -0.974 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 3.797 11.653 1.128 1.00 0.00 N flip ATOM 0 H ASN A 33 5.264 7.941 1.265 1.00 0.00 H new ATOM 0 HA ASN A 33 3.468 7.571 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.899 9.457 -0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.628 9.407 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.962 11.178 2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.073 12.628 1.013 1.00 0.00 H new ATOM 499 N ASN A 34 5.002 7.907 -2.198 1.00 0.00 N ATOM 500 CA ASN A 34 5.137 7.695 -3.638 1.00 0.00 C ATOM 501 C ASN A 34 4.143 6.656 -4.114 1.00 0.00 C ATOM 502 O ASN A 34 3.807 5.732 -3.374 1.00 0.00 O ATOM 503 CB ASN A 34 6.540 7.201 -4.012 1.00 0.00 C ATOM 504 CG ASN A 34 7.565 8.305 -4.150 1.00 0.00 C ATOM 505 OD1 ASN A 34 7.435 9.386 -3.577 1.00 0.00 O ATOM 506 ND2 ASN A 34 8.609 8.017 -4.902 1.00 0.00 N ATOM 0 H ASN A 34 5.747 7.489 -1.641 1.00 0.00 H new ATOM 0 HA ASN A 34 4.952 8.658 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.880 6.496 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.482 6.653 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.352 8.704 -5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.674 7.107 -5.358 1.00 0.00 H new ATOM 513 N ILE A 35 3.692 6.794 -5.348 1.00 0.00 N ATOM 514 CA ILE A 35 2.842 5.790 -5.958 1.00 0.00 C ATOM 515 C ILE A 35 3.594 4.476 -6.141 1.00 0.00 C ATOM 516 O ILE A 35 3.214 3.440 -5.592 1.00 0.00 O ATOM 517 CB ILE A 35 2.307 6.270 -7.326 1.00 0.00 C ATOM 518 CG1 ILE A 35 1.682 5.111 -8.103 1.00 0.00 C ATOM 519 CG2 ILE A 35 3.408 6.941 -8.138 1.00 0.00 C ATOM 520 CD1 ILE A 35 1.102 5.548 -9.414 1.00 0.00 C ATOM 0 H ILE A 35 3.901 7.593 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 35 1.999 5.628 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 35 1.529 7.011 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.438 4.347 -8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.900 4.652 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.005 7.269 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.790 7.803 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.218 6.232 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.671 4.688 -9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.325 6.292 -9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.887 5.982 -10.033 1.00 0.00 H new ATOM 532 N GLU A 36 4.676 4.541 -6.900 1.00 0.00 N ATOM 533 CA GLU A 36 5.421 3.354 -7.277 1.00 0.00 C ATOM 534 C GLU A 36 6.179 2.762 -6.104 1.00 0.00 C ATOM 535 O GLU A 36 6.118 1.560 -5.874 1.00 0.00 O ATOM 536 CB GLU A 36 6.390 3.665 -8.414 1.00 0.00 C ATOM 537 CG GLU A 36 5.700 4.034 -9.713 1.00 0.00 C ATOM 538 CD GLU A 36 6.680 4.282 -10.836 1.00 0.00 C ATOM 539 OE1 GLU A 36 7.102 3.306 -11.488 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.039 5.454 -11.068 1.00 0.00 O ATOM 0 H GLU A 36 5.059 5.411 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 36 4.694 2.615 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.041 4.485 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.028 2.798 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.019 3.233 -9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.095 4.927 -9.559 1.00 0.00 H new ATOM 547 N MET A 37 6.866 3.596 -5.337 1.00 0.00 N ATOM 548 CA MET A 37 7.748 3.077 -4.299 1.00 0.00 C ATOM 549 C MET A 37 6.951 2.347 -3.222 1.00 0.00 C ATOM 550 O MET A 37 7.412 1.357 -2.660 1.00 0.00 O ATOM 551 CB MET A 37 8.617 4.183 -3.687 1.00 0.00 C ATOM 552 CG MET A 37 9.679 3.644 -2.740 1.00 0.00 C ATOM 553 SD MET A 37 10.832 2.532 -3.571 1.00 0.00 S ATOM 554 CE MET A 37 11.893 2.067 -2.205 1.00 0.00 C ATOM 0 H MET A 37 6.833 4.613 -5.409 1.00 0.00 H new ATOM 0 HA MET A 37 8.420 2.360 -4.770 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.101 4.743 -4.487 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.979 4.884 -3.149 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.231 4.477 -2.304 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.196 3.116 -1.918 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.570 1.274 -2.523 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.473 2.932 -1.884 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.283 1.712 -1.375 1.00 0.00 H new ATOM 564 N ALA A 38 5.741 2.817 -2.964 1.00 0.00 N ATOM 565 CA ALA A 38 4.865 2.177 -1.993 1.00 0.00 C ATOM 566 C ALA A 38 4.386 0.812 -2.478 1.00 0.00 C ATOM 567 O ALA A 38 4.531 -0.189 -1.776 1.00 0.00 O ATOM 568 CB ALA A 38 3.682 3.074 -1.713 1.00 0.00 C ATOM 0 H ALA A 38 5.342 3.641 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 38 5.433 2.018 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.026 2.595 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.033 4.025 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.132 3.250 -2.637 1.00 0.00 H new ATOM 574 N LYS A 39 3.832 0.771 -3.684 1.00 0.00 N ATOM 575 CA LYS A 39 3.360 -0.487 -4.252 1.00 0.00 C ATOM 576 C LYS A 39 4.523 -1.451 -4.464 1.00 0.00 C ATOM 577 O LYS A 39 4.360 -2.670 -4.393 1.00 0.00 O ATOM 578 CB LYS A 39 2.619 -0.266 -5.572 1.00 0.00 C ATOM 579 CG LYS A 39 3.416 0.502 -6.604 1.00 0.00 C ATOM 580 CD LYS A 39 2.741 0.533 -7.970 1.00 0.00 C ATOM 581 CE LYS A 39 1.349 1.149 -7.916 1.00 0.00 C ATOM 582 NZ LYS A 39 0.332 0.179 -7.445 1.00 0.00 N ATOM 0 H LYS A 39 3.699 1.586 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 39 2.660 -0.923 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.343 -1.235 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.692 0.271 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.565 1.524 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.404 0.052 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.360 1.100 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.671 -0.482 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.360 2.014 -7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.074 1.511 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.419 0.089 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.779 -0.748 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.079 0.514 -6.550 1.00 0.00 H new ATOM 596 N ASN A 40 5.701 -0.895 -4.718 1.00 0.00 N ATOM 597 CA ASN A 40 6.891 -1.702 -4.946 1.00 0.00 C ATOM 598 C ASN A 40 7.414 -2.265 -3.637 1.00 0.00 C ATOM 599 O ASN A 40 7.907 -3.384 -3.601 1.00 0.00 O ATOM 600 CB ASN A 40 7.985 -0.896 -5.652 1.00 0.00 C ATOM 601 CG ASN A 40 7.691 -0.694 -7.127 1.00 0.00 C ATOM 602 OD1 ASN A 40 6.993 -1.501 -7.743 1.00 0.00 O ATOM 603 ND2 ASN A 40 8.226 0.374 -7.705 1.00 0.00 N ATOM 0 H ASN A 40 5.857 0.112 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 40 6.609 -2.530 -5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.087 0.075 -5.168 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.940 -1.409 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.065 0.552 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.798 1.017 -7.158 1.00 0.00 H new ATOM 610 N ILE A 41 7.291 -1.496 -2.561 1.00 0.00 N ATOM 611 CA ILE A 41 7.671 -1.981 -1.247 1.00 0.00 C ATOM 612 C ILE A 41 6.766 -3.123 -0.821 1.00 0.00 C ATOM 613 O ILE A 41 7.231 -4.079 -0.226 1.00 0.00 O ATOM 614 CB ILE A 41 7.700 -0.861 -0.186 1.00 0.00 C ATOM 615 CG1 ILE A 41 8.950 -0.012 -0.399 1.00 0.00 C ATOM 616 CG2 ILE A 41 7.680 -1.423 1.231 1.00 0.00 C ATOM 617 CD1 ILE A 41 10.241 -0.811 -0.329 1.00 0.00 C ATOM 0 H ILE A 41 6.933 -0.541 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 41 8.692 -2.355 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 41 6.805 -0.249 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.887 0.478 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.978 0.776 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.701 -0.602 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.773 -2.009 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.552 -2.060 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.090 -0.146 -0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.327 -1.279 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.234 -1.582 -1.100 1.00 0.00 H new ATOM 629 N LEU A 42 5.480 -3.038 -1.135 1.00 0.00 N ATOM 630 CA LEU A 42 4.602 -4.182 -0.915 1.00 0.00 C ATOM 631 C LEU A 42 5.131 -5.368 -1.723 1.00 0.00 C ATOM 632 O LEU A 42 5.430 -6.420 -1.174 1.00 0.00 O ATOM 633 CB LEU A 42 3.141 -3.885 -1.304 1.00 0.00 C ATOM 634 CG LEU A 42 2.331 -2.969 -0.357 1.00 0.00 C ATOM 635 CD1 LEU A 42 1.211 -3.751 0.285 1.00 0.00 C ATOM 636 CD2 LEU A 42 3.200 -2.348 0.727 1.00 0.00 C ATOM 0 H LEU A 42 5.030 -2.213 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 42 4.603 -4.412 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.141 -3.431 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.614 -4.835 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 42 1.924 -2.159 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.646 -3.098 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.550 -4.141 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.628 -4.580 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.586 -1.714 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.653 -3.137 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.984 -1.748 0.265 1.00 0.00 H new ATOM 648 N ARG A 43 5.310 -5.159 -3.022 1.00 0.00 N ATOM 649 CA ARG A 43 5.826 -6.197 -3.914 1.00 0.00 C ATOM 650 C ARG A 43 7.144 -6.794 -3.397 1.00 0.00 C ATOM 651 O ARG A 43 7.363 -8.005 -3.482 1.00 0.00 O ATOM 652 CB ARG A 43 6.003 -5.611 -5.320 1.00 0.00 C ATOM 653 CG ARG A 43 6.516 -6.592 -6.359 1.00 0.00 C ATOM 654 CD ARG A 43 7.989 -6.383 -6.652 1.00 0.00 C ATOM 655 NE ARG A 43 8.231 -5.105 -7.321 1.00 0.00 N ATOM 656 CZ ARG A 43 9.405 -4.477 -7.333 1.00 0.00 C ATOM 657 NH1 ARG A 43 10.456 -5.002 -6.713 1.00 0.00 N ATOM 658 NH2 ARG A 43 9.530 -3.324 -7.979 1.00 0.00 N ATOM 0 H ARG A 43 5.104 -4.274 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 43 5.105 -7.014 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.045 -5.215 -5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.693 -4.769 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.357 -7.611 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.943 -6.480 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.554 -6.419 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.355 -7.197 -7.278 1.00 0.00 H new ATOM 0 HE ARG A 43 7.450 -4.667 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.367 -5.892 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.352 -4.515 -6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.728 -2.922 -8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.428 -2.840 -7.990 1.00 0.00 H new ATOM 672 N GLU A 44 8.012 -5.937 -2.871 1.00 0.00 N ATOM 673 CA GLU A 44 9.284 -6.365 -2.284 1.00 0.00 C ATOM 674 C GLU A 44 9.087 -7.059 -0.936 1.00 0.00 C ATOM 675 O GLU A 44 9.684 -8.097 -0.664 1.00 0.00 O ATOM 676 CB GLU A 44 10.207 -5.153 -2.096 1.00 0.00 C ATOM 677 CG GLU A 44 10.817 -4.640 -3.388 1.00 0.00 C ATOM 678 CD GLU A 44 11.879 -3.582 -3.156 1.00 0.00 C ATOM 679 OE1 GLU A 44 12.797 -3.825 -2.345 1.00 0.00 O ATOM 680 OE2 GLU A 44 11.809 -2.504 -3.789 1.00 0.00 O ATOM 0 H GLU A 44 7.858 -4.929 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 44 9.735 -7.080 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.642 -4.347 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.009 -5.422 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.256 -5.475 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.029 -4.226 -4.017 1.00 0.00 H new ATOM 687 N PHE A 45 8.239 -6.474 -0.108 1.00 0.00 N ATOM 688 CA PHE A 45 8.060 -6.904 1.273 1.00 0.00 C ATOM 689 C PHE A 45 6.818 -7.771 1.463 1.00 0.00 C ATOM 690 O PHE A 45 6.899 -8.997 1.524 1.00 0.00 O ATOM 691 CB PHE A 45 7.959 -5.664 2.171 1.00 0.00 C ATOM 692 CG PHE A 45 9.289 -5.098 2.581 1.00 0.00 C ATOM 693 CD1 PHE A 45 9.954 -4.197 1.764 1.00 0.00 C ATOM 694 CD2 PHE A 45 9.869 -5.458 3.785 1.00 0.00 C ATOM 695 CE1 PHE A 45 11.174 -3.670 2.139 1.00 0.00 C ATOM 696 CE2 PHE A 45 11.090 -4.930 4.165 1.00 0.00 C ATOM 697 CZ PHE A 45 11.742 -4.034 3.343 1.00 0.00 C ATOM 0 H PHE A 45 7.651 -5.684 -0.373 1.00 0.00 H new ATOM 0 HA PHE A 45 8.922 -7.514 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.393 -4.893 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.393 -5.921 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.513 -3.904 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.364 -6.158 4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.684 -2.973 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.533 -5.220 5.106 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.694 -3.619 3.641 1.00 0.00 H new ATOM 707 N VAL A 46 5.676 -7.116 1.560 1.00 0.00 N ATOM 708 CA VAL A 46 4.415 -7.761 1.890 1.00 0.00 C ATOM 709 C VAL A 46 3.651 -8.200 0.644 1.00 0.00 C ATOM 710 O VAL A 46 3.292 -7.392 -0.207 1.00 0.00 O ATOM 711 CB VAL A 46 3.549 -6.805 2.729 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.847 -5.373 2.334 1.00 0.00 C ATOM 713 CG2 VAL A 46 2.066 -7.115 2.566 1.00 0.00 C ATOM 0 H VAL A 46 5.595 -6.110 1.411 1.00 0.00 H new ATOM 0 HA VAL A 46 4.642 -8.659 2.465 1.00 0.00 H new ATOM 0 HB VAL A 46 3.795 -6.944 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.233 -4.696 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.901 -5.158 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.622 -5.233 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.481 -6.423 3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.785 -7.008 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.870 -8.137 2.892 1.00 0.00 H new ATOM 723 N SER A 47 3.369 -9.479 0.570 1.00 0.00 N ATOM 724 CA SER A 47 2.714 -10.043 -0.592 1.00 0.00 C ATOM 725 C SER A 47 1.313 -10.516 -0.238 1.00 0.00 C ATOM 726 O SER A 47 0.948 -10.590 0.936 1.00 0.00 O ATOM 727 CB SER A 47 3.541 -11.194 -1.139 1.00 0.00 C ATOM 728 OG SER A 47 4.863 -10.770 -1.420 1.00 0.00 O ATOM 0 H SER A 47 3.583 -10.154 1.304 1.00 0.00 H new ATOM 0 HA SER A 47 2.629 -9.272 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.561 -12.010 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.078 -11.583 -2.046 1.00 0.00 H new ATOM 0 HG SER A 47 5.381 -11.525 -1.770 1.00 0.00 H new ATOM 734 N ILE A 48 0.533 -10.831 -1.259 1.00 0.00 N ATOM 735 CA ILE A 48 -0.851 -11.214 -1.069 1.00 0.00 C ATOM 736 C ILE A 48 -0.975 -12.709 -0.807 1.00 0.00 C ATOM 737 O ILE A 48 -0.485 -13.528 -1.588 1.00 0.00 O ATOM 738 CB ILE A 48 -1.714 -10.850 -2.289 1.00 0.00 C ATOM 739 CG1 ILE A 48 -0.956 -9.898 -3.219 1.00 0.00 C ATOM 740 CG2 ILE A 48 -3.014 -10.219 -1.821 1.00 0.00 C ATOM 741 CD1 ILE A 48 -1.770 -9.427 -4.402 1.00 0.00 C ATOM 0 H ILE A 48 0.840 -10.828 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.212 -10.660 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.941 -11.757 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.628 -9.030 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.058 -10.398 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.625 -9.961 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.555 -10.925 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.796 -9.317 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.167 -8.757 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.076 -10.287 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.654 -8.898 -4.047 1.00 0.00 H new ATOM 753 N SER A 49 -1.619 -13.053 0.298 1.00 0.00 N ATOM 754 CA SER A 49 -1.817 -14.446 0.676 1.00 0.00 C ATOM 755 C SER A 49 -3.240 -14.895 0.345 1.00 0.00 C ATOM 756 O SER A 49 -3.697 -15.944 0.801 1.00 0.00 O ATOM 757 CB SER A 49 -1.546 -14.608 2.171 1.00 0.00 C ATOM 758 OG SER A 49 -0.345 -13.944 2.541 1.00 0.00 O ATOM 0 H SER A 49 -2.017 -12.381 0.954 1.00 0.00 H new ATOM 0 HA SER A 49 -1.124 -15.070 0.112 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.381 -14.204 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.473 -15.667 2.419 1.00 0.00 H new ATOM 0 HG SER A 49 -0.191 -14.058 3.502 1.00 0.00 H new ATOM 764 N SER A 50 -3.931 -14.096 -0.450 1.00 0.00 N ATOM 765 CA SER A 50 -5.302 -14.381 -0.823 1.00 0.00 C ATOM 766 C SER A 50 -5.365 -14.871 -2.271 1.00 0.00 C ATOM 767 O SER A 50 -4.352 -14.835 -2.972 1.00 0.00 O ATOM 768 CB SER A 50 -6.149 -13.119 -0.629 1.00 0.00 C ATOM 769 OG SER A 50 -5.610 -12.024 -1.345 1.00 0.00 O ATOM 0 H SER A 50 -3.558 -13.236 -0.852 1.00 0.00 H new ATOM 0 HA SER A 50 -5.700 -15.172 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.169 -13.308 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.201 -12.873 0.432 1.00 0.00 H new ATOM 0 HG SER A 50 -6.171 -11.233 -1.204 1.00 0.00 H new ATOM 775 N PRO A 51 -6.530 -15.374 -2.730 1.00 0.00 N ATOM 776 CA PRO A 51 -6.727 -15.766 -4.130 1.00 0.00 C ATOM 777 C PRO A 51 -6.265 -14.674 -5.096 1.00 0.00 C ATOM 778 O PRO A 51 -5.464 -14.936 -6.003 1.00 0.00 O ATOM 779 CB PRO A 51 -8.246 -15.979 -4.246 1.00 0.00 C ATOM 780 CG PRO A 51 -8.828 -15.514 -2.951 1.00 0.00 C ATOM 781 CD PRO A 51 -7.735 -15.622 -1.931 1.00 0.00 C ATOM 0 HA PRO A 51 -6.148 -16.652 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.656 -15.414 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.480 -17.028 -4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.183 -14.487 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.684 -16.126 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.851 -14.889 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.715 -16.605 -1.460 1.00 0.00 H new ATOM 789 N ALA A 52 -6.763 -13.455 -4.877 1.00 0.00 N ATOM 790 CA ALA A 52 -6.378 -12.288 -5.665 1.00 0.00 C ATOM 791 C ALA A 52 -6.606 -12.511 -7.160 1.00 0.00 C ATOM 792 O ALA A 52 -7.440 -13.330 -7.554 1.00 0.00 O ATOM 793 CB ALA A 52 -4.926 -11.930 -5.383 1.00 0.00 C ATOM 0 H ALA A 52 -7.445 -13.252 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.014 -11.454 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.645 -11.058 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.806 -11.704 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.286 -12.771 -5.649 1.00 0.00 H new ATOM 799 N HIS A 53 -5.866 -11.765 -7.981 1.00 0.00 N ATOM 800 CA HIS A 53 -5.959 -11.855 -9.441 1.00 0.00 C ATOM 801 C HIS A 53 -7.295 -11.304 -9.925 1.00 0.00 C ATOM 802 O HIS A 53 -7.788 -11.672 -10.992 1.00 0.00 O ATOM 803 CB HIS A 53 -5.766 -13.296 -9.922 1.00 0.00 C ATOM 804 CG HIS A 53 -4.425 -13.861 -9.579 1.00 0.00 C ATOM 805 ND1 HIS A 53 -4.172 -14.544 -8.410 1.00 0.00 N ATOM 806 CD2 HIS A 53 -3.257 -13.831 -10.255 1.00 0.00 C ATOM 807 CE1 HIS A 53 -2.908 -14.912 -8.385 1.00 0.00 C ATOM 808 NE2 HIS A 53 -2.327 -14.491 -9.493 1.00 0.00 N ATOM 0 H HIS A 53 -5.184 -11.080 -7.654 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.158 -11.251 -9.866 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.540 -13.925 -9.483 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.902 -13.332 -11.003 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -4.857 -14.735 -7.678 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.086 -13.372 -11.218 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.427 -15.465 -7.592 1.00 0.00 H new ATOM 817 N VAL A 54 -7.861 -10.404 -9.136 1.00 0.00 N ATOM 818 CA VAL A 54 -9.125 -9.773 -9.474 1.00 0.00 C ATOM 819 C VAL A 54 -8.855 -8.502 -10.275 1.00 0.00 C ATOM 820 O VAL A 54 -9.135 -7.386 -9.833 1.00 0.00 O ATOM 821 CB VAL A 54 -9.951 -9.434 -8.208 1.00 0.00 C ATOM 822 CG1 VAL A 54 -11.363 -8.993 -8.579 1.00 0.00 C ATOM 823 CG2 VAL A 54 -9.995 -10.625 -7.261 1.00 0.00 C ATOM 0 H VAL A 54 -7.460 -10.093 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.709 -10.474 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.460 -8.605 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.922 -8.761 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.313 -8.107 -9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -11.865 -9.796 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.580 -10.366 -6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.456 -11.474 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.981 -10.888 -6.960 1.00 0.00 H new ATOM 833 N ALA A 55 -8.265 -8.683 -11.444 1.00 0.00 N ATOM 834 CA ALA A 55 -7.946 -7.569 -12.323 1.00 0.00 C ATOM 835 C ALA A 55 -8.910 -7.544 -13.497 1.00 0.00 C ATOM 836 O ALA A 55 -8.502 -7.618 -14.658 1.00 0.00 O ATOM 837 CB ALA A 55 -6.507 -7.669 -12.809 1.00 0.00 C ATOM 0 H ALA A 55 -7.995 -9.597 -11.809 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.051 -6.638 -11.766 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.285 -6.828 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.832 -7.649 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.372 -8.602 -13.357 1.00 0.00 H new ATOM 843 N THR A 56 -10.195 -7.478 -13.184 1.00 0.00 N ATOM 844 CA THR A 56 -11.239 -7.476 -14.194 1.00 0.00 C ATOM 845 C THR A 56 -12.475 -6.737 -13.681 1.00 0.00 C ATOM 846 O THR A 56 -12.684 -5.576 -14.090 1.00 0.00 O ATOM 847 CB THR A 56 -11.619 -8.916 -14.599 1.00 0.00 C ATOM 848 OG1 THR A 56 -10.442 -9.634 -15.001 1.00 0.00 O ATOM 849 CG2 THR A 56 -12.628 -8.920 -15.738 1.00 0.00 C ATOM 850 OXT THR A 56 -13.215 -7.308 -12.852 1.00 0.00 O ATOM 0 H THR A 56 -10.541 -7.425 -12.226 1.00 0.00 H new ATOM 0 HA THR A 56 -10.854 -6.960 -15.074 1.00 0.00 H new ATOM 0 HB THR A 56 -12.073 -9.401 -13.735 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.687 -10.548 -15.256 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.876 -9.948 -16.001 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.532 -8.397 -15.425 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.200 -8.417 -16.605 1.00 0.00 H new TER 858 THR A 56