USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 503 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 45 GLN : amide:sc= -1.78 K(o=-2.6,f=-7.2!) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.807 X(o=-2.6,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0765 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 40:sc= 0.93 USER MOD Single : A 10 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.49) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.0051) USER MOD Single : A 22 SER OG : rot 67:sc= 0.371 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -14! C(o=-15!,f=-14!) USER MOD Single : A 34 GLN : amide:sc= -0.0676 K(o=-0.068,f=-1.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -177:sc= 0 (180deg=-0.00543) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.216 -18.916 -6.959 1.00 0.00 N ATOM 2 CA GLY A 1 -24.484 -17.981 -5.880 1.00 0.00 C ATOM 3 C GLY A 1 -23.637 -18.308 -4.649 1.00 0.00 C ATOM 4 O GLY A 1 -23.200 -19.445 -4.476 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.783 -18.410 -7.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.566 -19.655 -6.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.107 -19.353 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.271 -16.965 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.541 -18.016 -5.618 1.00 0.00 H new ATOM 8 N SER A 2 -23.431 -17.291 -3.825 1.00 0.00 N ATOM 9 CA SER A 2 -22.644 -17.456 -2.614 1.00 0.00 C ATOM 10 C SER A 2 -23.507 -18.069 -1.509 1.00 0.00 C ATOM 11 O SER A 2 -24.668 -17.699 -1.346 1.00 0.00 O ATOM 12 CB SER A 2 -22.059 -16.121 -2.151 1.00 0.00 C ATOM 13 OG SER A 2 -20.939 -15.727 -2.939 1.00 0.00 O ATOM 0 H SER A 2 -23.795 -16.350 -3.972 1.00 0.00 H new ATOM 0 HA SER A 2 -21.815 -18.128 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.828 -15.350 -2.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.758 -16.200 -1.106 1.00 0.00 H new ATOM 0 HG SER A 2 -20.595 -14.869 -2.613 1.00 0.00 H new ATOM 19 N SER A 3 -22.905 -18.996 -0.778 1.00 0.00 N ATOM 20 CA SER A 3 -23.603 -19.664 0.307 1.00 0.00 C ATOM 21 C SER A 3 -23.047 -19.197 1.653 1.00 0.00 C ATOM 22 O SER A 3 -22.965 -19.978 2.600 1.00 0.00 O ATOM 23 CB SER A 3 -23.487 -21.185 0.183 1.00 0.00 C ATOM 24 OG SER A 3 -24.604 -21.854 0.763 1.00 0.00 O ATOM 0 H SER A 3 -21.941 -19.300 -0.916 1.00 0.00 H new ATOM 0 HA SER A 3 -24.659 -19.401 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.407 -21.458 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.571 -21.520 0.670 1.00 0.00 H new ATOM 0 HG SER A 3 -24.494 -22.823 0.662 1.00 0.00 H new ATOM 30 N GLY A 4 -22.679 -17.925 1.696 1.00 0.00 N ATOM 31 CA GLY A 4 -22.133 -17.344 2.911 1.00 0.00 C ATOM 32 C GLY A 4 -20.901 -16.491 2.605 1.00 0.00 C ATOM 33 O GLY A 4 -19.985 -16.941 1.918 1.00 0.00 O ATOM 0 H GLY A 4 -22.748 -17.280 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.892 -16.732 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.866 -18.137 3.610 1.00 0.00 H new ATOM 37 N SER A 5 -20.917 -15.275 3.130 1.00 0.00 N ATOM 38 CA SER A 5 -19.812 -14.354 2.921 1.00 0.00 C ATOM 39 C SER A 5 -19.039 -14.161 4.227 1.00 0.00 C ATOM 40 O SER A 5 -17.840 -14.428 4.288 1.00 0.00 O ATOM 41 CB SER A 5 -20.310 -13.007 2.394 1.00 0.00 C ATOM 42 OG SER A 5 -20.279 -12.946 0.971 1.00 0.00 O ATOM 0 H SER A 5 -21.678 -14.906 3.700 1.00 0.00 H new ATOM 0 HA SER A 5 -19.146 -14.782 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.329 -12.836 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.694 -12.207 2.805 1.00 0.00 H new ATOM 0 HG SER A 5 -20.606 -12.071 0.674 1.00 0.00 H new ATOM 48 N SER A 6 -19.757 -13.697 5.239 1.00 0.00 N ATOM 49 CA SER A 6 -19.153 -13.465 6.540 1.00 0.00 C ATOM 50 C SER A 6 -20.216 -12.988 7.533 1.00 0.00 C ATOM 51 O SER A 6 -21.262 -12.480 7.132 1.00 0.00 O ATOM 52 CB SER A 6 -18.019 -12.443 6.446 1.00 0.00 C ATOM 53 OG SER A 6 -18.458 -11.208 5.886 1.00 0.00 O ATOM 0 H SER A 6 -20.751 -13.475 5.184 1.00 0.00 H new ATOM 0 HA SER A 6 -18.730 -14.405 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.608 -12.265 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.213 -12.851 5.837 1.00 0.00 H new ATOM 0 HG SER A 6 -17.705 -10.582 5.845 1.00 0.00 H new ATOM 59 N GLY A 7 -19.911 -13.170 8.810 1.00 0.00 N ATOM 60 CA GLY A 7 -20.827 -12.765 9.862 1.00 0.00 C ATOM 61 C GLY A 7 -20.285 -11.554 10.625 1.00 0.00 C ATOM 62 O GLY A 7 -19.148 -11.138 10.408 1.00 0.00 O ATOM 0 H GLY A 7 -19.043 -13.592 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.798 -12.522 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.983 -13.594 10.552 1.00 0.00 H new ATOM 66 N SER A 8 -21.124 -11.023 11.502 1.00 0.00 N ATOM 67 CA SER A 8 -20.744 -9.869 12.298 1.00 0.00 C ATOM 68 C SER A 8 -21.302 -10.004 13.716 1.00 0.00 C ATOM 69 O SER A 8 -22.443 -9.625 13.976 1.00 0.00 O ATOM 70 CB SER A 8 -21.235 -8.570 11.655 1.00 0.00 C ATOM 71 OG SER A 8 -22.657 -8.524 11.565 1.00 0.00 O ATOM 0 H SER A 8 -22.066 -11.371 11.679 1.00 0.00 H new ATOM 0 HA SER A 8 -19.656 -9.830 12.345 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.881 -7.720 12.238 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.805 -8.474 10.658 1.00 0.00 H new ATOM 0 HG SER A 8 -23.049 -8.897 12.382 1.00 0.00 H new ATOM 77 N ARG A 9 -20.472 -10.544 14.596 1.00 0.00 N ATOM 78 CA ARG A 9 -20.868 -10.733 15.981 1.00 0.00 C ATOM 79 C ARG A 9 -19.639 -10.718 16.892 1.00 0.00 C ATOM 80 O ARG A 9 -18.866 -11.674 16.913 1.00 0.00 O ATOM 81 CB ARG A 9 -21.614 -12.057 16.164 1.00 0.00 C ATOM 82 CG ARG A 9 -23.101 -11.816 16.428 1.00 0.00 C ATOM 83 CD ARG A 9 -23.683 -12.909 17.327 1.00 0.00 C ATOM 84 NE ARG A 9 -24.212 -12.310 18.573 1.00 0.00 N ATOM 85 CZ ARG A 9 -25.134 -12.891 19.353 1.00 0.00 C ATOM 86 NH1 ARG A 9 -25.634 -14.089 19.021 1.00 0.00 N ATOM 87 NH2 ARG A 9 -25.555 -12.274 20.466 1.00 0.00 N ATOM 0 H ARG A 9 -19.526 -10.857 14.377 1.00 0.00 H new ATOM 0 HA ARG A 9 -21.534 -9.913 16.250 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.494 -12.672 15.272 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -21.179 -12.612 16.995 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -23.237 -10.842 16.899 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -23.643 -11.791 15.482 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -24.478 -13.438 16.802 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -22.914 -13.644 17.565 1.00 0.00 H new ATOM 0 HE ARG A 9 -23.852 -11.398 18.856 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -25.313 -14.559 18.175 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -26.336 -14.531 19.615 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -25.174 -11.362 20.719 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -26.257 -12.716 21.060 1.00 0.00 H new ATOM 101 N GLN A 10 -19.497 -9.622 17.622 1.00 0.00 N ATOM 102 CA GLN A 10 -18.375 -9.469 18.533 1.00 0.00 C ATOM 103 C GLN A 10 -17.065 -9.370 17.749 1.00 0.00 C ATOM 104 O GLN A 10 -16.940 -9.942 16.667 1.00 0.00 O ATOM 105 CB GLN A 10 -18.326 -10.620 19.540 1.00 0.00 C ATOM 106 CG GLN A 10 -18.124 -10.095 20.963 1.00 0.00 C ATOM 107 CD GLN A 10 -19.416 -9.488 21.512 1.00 0.00 C ATOM 108 OE1 GLN A 10 -20.502 -10.020 21.347 1.00 0.00 O ATOM 109 NE2 GLN A 10 -19.240 -8.347 22.171 1.00 0.00 N ATOM 0 H GLN A 10 -20.140 -8.831 17.601 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.511 -8.544 19.094 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.252 -11.193 19.488 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.515 -11.300 19.281 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.796 -10.908 21.611 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.334 -9.344 20.969 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.303 -7.956 22.273 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.042 -7.863 22.575 1.00 0.00 H new ATOM 118 N ALA A 11 -16.122 -8.639 18.325 1.00 0.00 N ATOM 119 CA ALA A 11 -14.826 -8.457 17.693 1.00 0.00 C ATOM 120 C ALA A 11 -13.972 -9.705 17.923 1.00 0.00 C ATOM 121 O ALA A 11 -14.075 -10.349 18.967 1.00 0.00 O ATOM 122 CB ALA A 11 -14.165 -7.190 18.240 1.00 0.00 C ATOM 0 H ALA A 11 -16.229 -8.166 19.222 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.939 -8.328 16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.193 -7.053 17.766 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.797 -6.328 18.026 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.033 -7.285 19.318 1.00 0.00 H new ATOM 128 N PRO A 12 -13.126 -10.019 16.906 1.00 0.00 N ATOM 129 CA PRO A 12 -12.255 -11.179 16.987 1.00 0.00 C ATOM 130 C PRO A 12 -11.079 -10.916 17.929 1.00 0.00 C ATOM 131 O PRO A 12 -10.941 -9.817 18.464 1.00 0.00 O ATOM 132 CB PRO A 12 -11.821 -11.446 15.555 1.00 0.00 C ATOM 133 CG PRO A 12 -12.087 -10.158 14.792 1.00 0.00 C ATOM 134 CD PRO A 12 -12.978 -9.280 15.655 1.00 0.00 C ATOM 0 HA PRO A 12 -12.755 -12.052 17.407 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.766 -11.716 15.510 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.381 -12.277 15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.151 -9.647 14.567 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.570 -10.372 13.839 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.527 -8.302 15.824 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.944 -9.108 15.180 1.00 0.00 H new ATOM 142 N ILE A 13 -10.261 -11.944 18.103 1.00 0.00 N ATOM 143 CA ILE A 13 -9.101 -11.838 18.972 1.00 0.00 C ATOM 144 C ILE A 13 -7.886 -11.414 18.144 1.00 0.00 C ATOM 145 O ILE A 13 -7.318 -12.221 17.410 1.00 0.00 O ATOM 146 CB ILE A 13 -8.891 -13.140 19.748 1.00 0.00 C ATOM 147 CG1 ILE A 13 -10.059 -13.404 20.701 1.00 0.00 C ATOM 148 CG2 ILE A 13 -7.546 -13.134 20.477 1.00 0.00 C ATOM 149 CD1 ILE A 13 -10.172 -14.894 21.030 1.00 0.00 C ATOM 0 H ILE A 13 -10.379 -12.854 17.657 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.260 -11.067 19.726 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.865 -13.963 19.034 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.919 -12.835 21.620 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.988 -13.056 20.249 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.422 -14.071 21.020 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.740 -13.026 19.752 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.516 -12.301 21.179 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.010 -15.054 21.709 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.336 -15.458 20.112 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.251 -15.233 21.504 1.00 0.00 H new ATOM 161 N ALA A 14 -7.524 -10.147 18.289 1.00 0.00 N ATOM 162 CA ALA A 14 -6.387 -9.606 17.563 1.00 0.00 C ATOM 163 C ALA A 14 -5.870 -8.362 18.289 1.00 0.00 C ATOM 164 O ALA A 14 -5.967 -7.251 17.770 1.00 0.00 O ATOM 165 CB ALA A 14 -6.797 -9.311 16.119 1.00 0.00 C ATOM 0 H ALA A 14 -7.998 -9.480 18.898 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.573 -10.330 17.529 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.944 -8.905 15.574 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.129 -10.232 15.640 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.610 -8.585 16.113 1.00 0.00 H new ATOM 171 N ASN A 15 -5.332 -8.591 19.478 1.00 0.00 N ATOM 172 CA ASN A 15 -4.799 -7.502 20.280 1.00 0.00 C ATOM 173 C ASN A 15 -3.271 -7.580 20.287 1.00 0.00 C ATOM 174 O ASN A 15 -2.698 -8.557 20.767 1.00 0.00 O ATOM 175 CB ASN A 15 -5.284 -7.597 21.728 1.00 0.00 C ATOM 176 CG ASN A 15 -6.337 -6.527 22.024 1.00 0.00 C ATOM 177 OD1 ASN A 15 -6.094 -5.556 22.722 1.00 0.00 O ATOM 178 ND2 ASN A 15 -7.517 -6.758 21.457 1.00 0.00 N ATOM 0 H ASN A 15 -5.254 -9.514 19.905 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.142 -6.563 19.845 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.704 -8.586 21.911 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.439 -7.479 22.407 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.286 -6.102 21.595 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.653 -7.591 20.884 1.00 0.00 H new ATOM 185 N ALA A 16 -2.655 -6.538 19.748 1.00 0.00 N ATOM 186 CA ALA A 16 -1.205 -6.476 19.687 1.00 0.00 C ATOM 187 C ALA A 16 -0.699 -5.443 20.696 1.00 0.00 C ATOM 188 O ALA A 16 -1.119 -4.287 20.669 1.00 0.00 O ATOM 189 CB ALA A 16 -0.768 -6.156 18.256 1.00 0.00 C ATOM 0 H ALA A 16 -3.134 -5.730 19.350 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.768 -7.438 19.954 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.320 -6.109 18.210 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.127 -6.935 17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.186 -5.195 17.954 1.00 0.00 H new ATOM 195 N ALA A 17 0.195 -5.897 21.562 1.00 0.00 N ATOM 196 CA ALA A 17 0.762 -5.027 22.577 1.00 0.00 C ATOM 197 C ALA A 17 2.238 -4.776 22.262 1.00 0.00 C ATOM 198 O ALA A 17 2.855 -5.536 21.517 1.00 0.00 O ATOM 199 CB ALA A 17 0.559 -5.653 23.958 1.00 0.00 C ATOM 0 H ALA A 17 0.540 -6.857 21.581 1.00 0.00 H new ATOM 0 HA ALA A 17 0.257 -4.061 22.579 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.985 -5.000 24.720 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.507 -5.783 24.146 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.054 -6.623 23.994 1.00 0.00 H new ATOM 205 N VAL A 18 2.762 -3.708 22.845 1.00 0.00 N ATOM 206 CA VAL A 18 4.154 -3.347 22.636 1.00 0.00 C ATOM 207 C VAL A 18 5.004 -3.936 23.764 1.00 0.00 C ATOM 208 O VAL A 18 5.616 -3.198 24.533 1.00 0.00 O ATOM 209 CB VAL A 18 4.288 -1.828 22.515 1.00 0.00 C ATOM 210 CG1 VAL A 18 5.701 -1.436 22.075 1.00 0.00 C ATOM 211 CG2 VAL A 18 3.238 -1.258 21.560 1.00 0.00 C ATOM 0 H VAL A 18 2.247 -3.080 23.463 1.00 0.00 H new ATOM 0 HA VAL A 18 4.522 -3.767 21.700 1.00 0.00 H new ATOM 0 HB VAL A 18 4.112 -1.397 23.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.770 -0.351 21.997 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.423 -1.793 22.809 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.918 -1.884 21.105 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.356 -0.177 21.493 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.367 -1.699 20.572 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.241 -1.491 21.934 1.00 0.00 H new ATOM 221 N LEU A 19 5.013 -5.259 23.826 1.00 0.00 N ATOM 222 CA LEU A 19 5.778 -5.955 24.847 1.00 0.00 C ATOM 223 C LEU A 19 6.818 -6.853 24.175 1.00 0.00 C ATOM 224 O LEU A 19 6.576 -7.389 23.095 1.00 0.00 O ATOM 225 CB LEU A 19 4.843 -6.703 25.799 1.00 0.00 C ATOM 226 CG LEU A 19 4.488 -5.977 27.099 1.00 0.00 C ATOM 227 CD1 LEU A 19 3.220 -6.561 27.725 1.00 0.00 C ATOM 228 CD2 LEU A 19 5.667 -5.990 28.074 1.00 0.00 C ATOM 0 H LEU A 19 4.503 -5.868 23.186 1.00 0.00 H new ATOM 0 HA LEU A 19 6.324 -5.243 25.466 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.918 -6.927 25.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.304 -7.658 26.053 1.00 0.00 H new ATOM 0 HG LEU A 19 4.278 -4.934 26.861 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.990 -6.027 28.647 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.388 -6.456 27.028 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.377 -7.617 27.946 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.388 -5.468 28.989 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.932 -7.020 28.311 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.522 -5.491 27.618 1.00 0.00 H new ATOM 240 N PRO A 20 7.985 -6.993 24.860 1.00 0.00 N ATOM 241 CA PRO A 20 9.063 -7.817 24.341 1.00 0.00 C ATOM 242 C PRO A 20 8.746 -9.305 24.509 1.00 0.00 C ATOM 243 O PRO A 20 9.213 -9.940 25.452 1.00 0.00 O ATOM 244 CB PRO A 20 10.297 -7.382 25.115 1.00 0.00 C ATOM 245 CG PRO A 20 9.783 -6.668 26.354 1.00 0.00 C ATOM 246 CD PRO A 20 8.306 -6.373 26.142 1.00 0.00 C ATOM 0 HA PRO A 20 9.214 -7.687 23.269 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.911 -8.241 25.386 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.922 -6.721 24.514 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.925 -7.288 27.239 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.337 -5.744 26.520 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.700 -6.789 26.946 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.115 -5.300 26.122 1.00 0.00 H new ATOM 254 N GLN A 21 7.954 -9.816 23.578 1.00 0.00 N ATOM 255 CA GLN A 21 7.569 -11.217 23.610 1.00 0.00 C ATOM 256 C GLN A 21 6.507 -11.500 22.546 1.00 0.00 C ATOM 257 O GLN A 21 5.572 -10.720 22.373 1.00 0.00 O ATOM 258 CB GLN A 21 7.072 -11.617 25.001 1.00 0.00 C ATOM 259 CG GLN A 21 6.124 -10.559 25.569 1.00 0.00 C ATOM 260 CD GLN A 21 4.889 -11.209 26.197 1.00 0.00 C ATOM 261 OE1 GLN A 21 4.612 -11.065 27.376 1.00 0.00 O ATOM 262 NE2 GLN A 21 4.166 -11.930 25.345 1.00 0.00 N ATOM 0 H GLN A 21 7.568 -9.285 22.797 1.00 0.00 H new ATOM 0 HA GLN A 21 8.449 -11.821 23.387 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.560 -12.578 24.946 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.922 -11.747 25.671 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.646 -9.963 26.318 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.817 -9.877 24.776 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.455 -12.009 24.370 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.322 -12.404 25.666 1.00 0.00 H new ATOM 271 N SER A 22 6.688 -12.619 21.859 1.00 0.00 N ATOM 272 CA SER A 22 5.757 -13.015 20.816 1.00 0.00 C ATOM 273 C SER A 22 6.323 -14.201 20.032 1.00 0.00 C ATOM 274 O SER A 22 7.515 -14.240 19.732 1.00 0.00 O ATOM 275 CB SER A 22 5.459 -11.849 19.871 1.00 0.00 C ATOM 276 OG SER A 22 4.150 -11.321 20.070 1.00 0.00 O ATOM 0 H SER A 22 7.465 -13.263 22.004 1.00 0.00 H new ATOM 0 HA SER A 22 4.821 -13.313 21.289 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.195 -11.060 20.025 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.562 -12.184 18.839 1.00 0.00 H new ATOM 0 HG SER A 22 4.099 -10.895 20.951 1.00 0.00 H new ATOM 282 N GLN A 23 5.440 -15.140 19.723 1.00 0.00 N ATOM 283 CA GLN A 23 5.837 -16.325 18.981 1.00 0.00 C ATOM 284 C GLN A 23 5.510 -16.154 17.496 1.00 0.00 C ATOM 285 O GLN A 23 4.342 -16.084 17.117 1.00 0.00 O ATOM 286 CB GLN A 23 5.167 -17.578 19.549 1.00 0.00 C ATOM 287 CG GLN A 23 6.148 -18.384 20.403 1.00 0.00 C ATOM 288 CD GLN A 23 5.559 -19.746 20.775 1.00 0.00 C ATOM 289 OE1 GLN A 23 5.981 -20.786 20.296 1.00 0.00 O ATOM 290 NE2 GLN A 23 4.563 -19.683 21.654 1.00 0.00 N ATOM 0 H GLN A 23 4.452 -15.104 19.973 1.00 0.00 H new ATOM 0 HA GLN A 23 6.915 -16.451 19.084 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.304 -17.292 20.151 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.795 -18.198 18.733 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.081 -18.524 19.857 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.389 -17.828 21.309 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.258 -18.779 22.016 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.104 -20.538 21.966 1.00 0.00 H new ATOM 299 N GLY A 24 6.564 -16.091 16.695 1.00 0.00 N ATOM 300 CA GLY A 24 6.404 -15.930 15.259 1.00 0.00 C ATOM 301 C GLY A 24 7.711 -15.471 14.610 1.00 0.00 C ATOM 302 O GLY A 24 8.757 -15.451 15.258 1.00 0.00 O ATOM 0 H GLY A 24 7.532 -16.148 17.013 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.086 -16.874 14.817 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.618 -15.203 15.056 1.00 0.00 H new ATOM 306 N ARG A 25 7.609 -15.113 13.339 1.00 0.00 N ATOM 307 CA ARG A 25 8.771 -14.656 12.595 1.00 0.00 C ATOM 308 C ARG A 25 8.662 -13.156 12.310 1.00 0.00 C ATOM 309 O ARG A 25 7.587 -12.573 12.439 1.00 0.00 O ATOM 310 CB ARG A 25 8.909 -15.410 11.271 1.00 0.00 C ATOM 311 CG ARG A 25 10.315 -15.995 11.118 1.00 0.00 C ATOM 312 CD ARG A 25 10.276 -17.325 10.362 1.00 0.00 C ATOM 313 NE ARG A 25 11.331 -17.347 9.324 1.00 0.00 N ATOM 314 CZ ARG A 25 11.496 -18.343 8.442 1.00 0.00 C ATOM 315 NH1 ARG A 25 10.677 -19.403 8.468 1.00 0.00 N ATOM 316 NH2 ARG A 25 12.481 -18.279 7.535 1.00 0.00 N ATOM 0 H ARG A 25 6.740 -15.130 12.805 1.00 0.00 H new ATOM 0 HA ARG A 25 9.653 -14.851 13.205 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.171 -16.211 11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.699 -14.736 10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.951 -15.288 10.585 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.760 -16.145 12.102 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.420 -18.152 11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.298 -17.463 9.901 1.00 0.00 H new ATOM 0 HE ARG A 25 11.972 -16.555 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.928 -19.452 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.802 -20.161 7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.105 -17.472 7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.606 -19.037 6.864 1.00 0.00 H new ATOM 330 N VAL A 26 9.790 -12.576 11.928 1.00 0.00 N ATOM 331 CA VAL A 26 9.834 -11.155 11.624 1.00 0.00 C ATOM 332 C VAL A 26 9.967 -10.966 10.112 1.00 0.00 C ATOM 333 O VAL A 26 10.468 -11.846 9.414 1.00 0.00 O ATOM 334 CB VAL A 26 10.963 -10.487 12.412 1.00 0.00 C ATOM 335 CG1 VAL A 26 10.975 -8.975 12.177 1.00 0.00 C ATOM 336 CG2 VAL A 26 10.855 -10.809 13.904 1.00 0.00 C ATOM 0 H VAL A 26 10.680 -13.063 11.822 1.00 0.00 H new ATOM 0 HA VAL A 26 8.908 -10.669 11.932 1.00 0.00 H new ATOM 0 HB VAL A 26 11.909 -10.890 12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.787 -8.524 12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.122 -8.773 11.116 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.025 -8.549 12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.669 -10.322 14.441 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.901 -10.447 14.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.918 -11.887 14.049 1.00 0.00 H new ATOM 346 N ALA A 27 9.510 -9.811 9.650 1.00 0.00 N ATOM 347 CA ALA A 27 9.572 -9.495 8.233 1.00 0.00 C ATOM 348 C ALA A 27 9.452 -7.981 8.047 1.00 0.00 C ATOM 349 O ALA A 27 10.405 -7.326 7.628 1.00 0.00 O ATOM 350 CB ALA A 27 8.477 -10.263 7.490 1.00 0.00 C ATOM 0 H ALA A 27 9.095 -9.083 10.232 1.00 0.00 H new ATOM 0 HA ALA A 27 10.529 -9.804 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.524 -10.026 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.625 -11.334 7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.501 -9.977 7.883 1.00 0.00 H new ATOM 356 N ALA A 28 8.273 -7.469 8.367 1.00 0.00 N ATOM 357 CA ALA A 28 8.016 -6.045 8.241 1.00 0.00 C ATOM 358 C ALA A 28 9.254 -5.266 8.690 1.00 0.00 C ATOM 359 O ALA A 28 9.829 -5.558 9.737 1.00 0.00 O ATOM 360 CB ALA A 28 6.770 -5.677 9.049 1.00 0.00 C ATOM 0 H ALA A 28 7.485 -8.015 8.714 1.00 0.00 H new ATOM 0 HA ALA A 28 7.820 -5.781 7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.577 -4.608 8.954 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.913 -6.235 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.930 -5.925 10.098 1.00 0.00 H new ATOM 366 N SER A 29 9.628 -4.290 7.875 1.00 0.00 N ATOM 367 CA SER A 29 10.787 -3.467 8.175 1.00 0.00 C ATOM 368 C SER A 29 10.374 -1.997 8.270 1.00 0.00 C ATOM 369 O SER A 29 9.435 -1.568 7.601 1.00 0.00 O ATOM 370 CB SER A 29 11.877 -3.645 7.117 1.00 0.00 C ATOM 371 OG SER A 29 13.165 -3.287 7.612 1.00 0.00 O ATOM 0 H SER A 29 9.148 -4.051 7.007 1.00 0.00 H new ATOM 0 HA SER A 29 11.194 -3.786 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.892 -4.683 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.640 -3.034 6.246 1.00 0.00 H new ATOM 0 HG SER A 29 13.834 -3.416 6.907 1.00 0.00 H new ATOM 377 N GLU A 30 11.096 -1.266 9.107 1.00 0.00 N ATOM 378 CA GLU A 30 10.816 0.147 9.298 1.00 0.00 C ATOM 379 C GLU A 30 10.671 0.847 7.945 1.00 0.00 C ATOM 380 O GLU A 30 9.724 1.604 7.732 1.00 0.00 O ATOM 381 CB GLU A 30 11.904 0.811 10.144 1.00 0.00 C ATOM 382 CG GLU A 30 11.389 2.102 10.784 1.00 0.00 C ATOM 383 CD GLU A 30 12.257 3.297 10.385 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.015 3.831 9.281 1.00 0.00 O ATOM 385 OE2 GLU A 30 13.144 3.649 11.193 1.00 0.00 O ATOM 0 H GLU A 30 11.874 -1.626 9.660 1.00 0.00 H new ATOM 0 HA GLU A 30 9.873 0.241 9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.236 0.123 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.771 1.030 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.358 2.278 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.385 1.997 11.869 1.00 0.00 H new ATOM 392 N GLU A 31 11.622 0.570 7.066 1.00 0.00 N ATOM 393 CA GLU A 31 11.612 1.164 5.740 1.00 0.00 C ATOM 394 C GLU A 31 10.213 1.067 5.126 1.00 0.00 C ATOM 395 O GLU A 31 9.711 2.038 4.562 1.00 0.00 O ATOM 396 CB GLU A 31 12.654 0.503 4.835 1.00 0.00 C ATOM 397 CG GLU A 31 13.940 1.330 4.786 1.00 0.00 C ATOM 398 CD GLU A 31 14.043 2.108 3.473 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.088 1.439 2.418 1.00 0.00 O ATOM 400 OE2 GLU A 31 14.073 3.355 3.553 1.00 0.00 O ATOM 0 H GLU A 31 12.405 -0.058 7.246 1.00 0.00 H new ATOM 0 HA GLU A 31 11.875 2.218 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.876 -0.499 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.250 0.393 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.962 2.024 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.803 0.673 4.892 1.00 0.00 H new ATOM 407 N GLN A 32 9.625 -0.112 5.256 1.00 0.00 N ATOM 408 CA GLN A 32 8.294 -0.348 4.722 1.00 0.00 C ATOM 409 C GLN A 32 7.251 0.419 5.536 1.00 0.00 C ATOM 410 O GLN A 32 6.497 1.221 4.988 1.00 0.00 O ATOM 411 CB GLN A 32 7.973 -1.844 4.690 1.00 0.00 C ATOM 412 CG GLN A 32 9.124 -2.639 4.071 1.00 0.00 C ATOM 413 CD GLN A 32 9.396 -2.183 2.636 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.000 -1.001 2.548 1.00 0.00 O flip ATOM 415 NE2 GLN A 32 9.078 -2.859 1.671 1.00 0.00 N flip ATOM 0 H GLN A 32 10.045 -0.915 5.724 1.00 0.00 H new ATOM 0 HA GLN A 32 8.266 0.018 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.783 -2.201 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.061 -2.012 4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.024 -2.512 4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.882 -3.702 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.617 -3.758 1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.274 -2.525 0.727 1.00 0.00 H new ATOM 424 N ILE A 33 7.242 0.147 6.833 1.00 0.00 N ATOM 425 CA ILE A 33 6.304 0.802 7.729 1.00 0.00 C ATOM 426 C ILE A 33 6.171 2.274 7.333 1.00 0.00 C ATOM 427 O ILE A 33 5.061 2.794 7.227 1.00 0.00 O ATOM 428 CB ILE A 33 6.719 0.592 9.186 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.445 -0.846 9.633 1.00 0.00 C ATOM 430 CG2 ILE A 33 6.044 1.615 10.102 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.679 -1.459 10.297 1.00 0.00 C ATOM 0 H ILE A 33 7.870 -0.518 7.285 1.00 0.00 H new ATOM 0 HA ILE A 33 5.314 0.356 7.637 1.00 0.00 H new ATOM 0 HB ILE A 33 7.794 0.753 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.608 -0.860 10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.154 -1.449 8.773 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.356 1.443 11.132 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.333 2.621 9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.961 1.510 10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.457 -2.481 10.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.508 -1.466 9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.953 -0.868 11.171 1.00 0.00 H new ATOM 443 N GLN A 34 7.318 2.904 7.126 1.00 0.00 N ATOM 444 CA GLN A 34 7.344 4.306 6.745 1.00 0.00 C ATOM 445 C GLN A 34 6.820 4.477 5.317 1.00 0.00 C ATOM 446 O GLN A 34 5.945 5.305 5.068 1.00 0.00 O ATOM 447 CB GLN A 34 8.752 4.887 6.885 1.00 0.00 C ATOM 448 CG GLN A 34 9.227 4.827 8.339 1.00 0.00 C ATOM 449 CD GLN A 34 8.613 5.961 9.163 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.178 6.976 8.643 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.603 5.734 10.473 1.00 0.00 N ATOM 0 H GLN A 34 8.236 2.469 7.215 1.00 0.00 H new ATOM 0 HA GLN A 34 6.691 4.858 7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.443 4.333 6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.759 5.920 6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.954 3.866 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.314 4.895 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.983 4.863 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.215 6.431 11.108 1.00 0.00 H new ATOM 460 N LYS A 35 7.378 3.681 4.417 1.00 0.00 N ATOM 461 CA LYS A 35 6.978 3.734 3.021 1.00 0.00 C ATOM 462 C LYS A 35 5.454 3.628 2.927 1.00 0.00 C ATOM 463 O LYS A 35 4.854 4.093 1.959 1.00 0.00 O ATOM 464 CB LYS A 35 7.720 2.670 2.210 1.00 0.00 C ATOM 465 CG LYS A 35 8.651 3.315 1.181 1.00 0.00 C ATOM 466 CD LYS A 35 9.407 2.252 0.383 1.00 0.00 C ATOM 467 CE LYS A 35 8.911 2.197 -1.064 1.00 0.00 C ATOM 468 NZ LYS A 35 9.928 1.571 -1.937 1.00 0.00 N ATOM 0 H LYS A 35 8.104 2.996 4.627 1.00 0.00 H new ATOM 0 HA LYS A 35 7.259 4.691 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.298 2.034 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.001 2.027 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.071 3.940 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.362 3.968 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.474 2.472 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.276 1.277 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.981 1.630 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.690 3.204 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.575 1.542 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.806 2.128 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.119 0.603 -1.609 1.00 0.00 H new ATOM 482 N LEU A 36 4.872 3.011 3.945 1.00 0.00 N ATOM 483 CA LEU A 36 3.430 2.837 3.989 1.00 0.00 C ATOM 484 C LEU A 36 2.812 3.952 4.836 1.00 0.00 C ATOM 485 O LEU A 36 1.902 4.646 4.385 1.00 0.00 O ATOM 486 CB LEU A 36 3.075 1.430 4.472 1.00 0.00 C ATOM 487 CG LEU A 36 3.503 0.279 3.559 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.016 -1.064 4.105 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.034 0.517 2.122 1.00 0.00 C ATOM 0 H LEU A 36 5.373 2.625 4.746 1.00 0.00 H new ATOM 0 HA LEU A 36 3.005 2.923 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.529 1.278 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.995 1.376 4.609 1.00 0.00 H new ATOM 0 HG LEU A 36 4.592 0.243 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.334 -1.865 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.439 -1.229 5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.928 -1.057 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.351 -0.315 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.947 0.594 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.470 1.442 1.746 1.00 0.00 H new ATOM 501 N VAL A 37 3.331 4.089 6.047 1.00 0.00 N ATOM 502 CA VAL A 37 2.842 5.107 6.960 1.00 0.00 C ATOM 503 C VAL A 37 2.862 6.467 6.259 1.00 0.00 C ATOM 504 O VAL A 37 1.943 7.269 6.425 1.00 0.00 O ATOM 505 CB VAL A 37 3.661 5.089 8.252 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.596 6.443 8.962 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.199 3.962 9.178 1.00 0.00 C ATOM 0 H VAL A 37 4.086 3.511 6.417 1.00 0.00 H new ATOM 0 HA VAL A 37 1.809 4.902 7.243 1.00 0.00 H new ATOM 0 HB VAL A 37 4.701 4.900 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.187 6.403 9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.995 7.217 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.560 6.675 9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.797 3.971 10.089 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.149 4.107 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.321 3.003 8.674 1.00 0.00 H new ATOM 517 N ALA A 38 3.918 6.685 5.490 1.00 0.00 N ATOM 518 CA ALA A 38 4.070 7.934 4.763 1.00 0.00 C ATOM 519 C ALA A 38 2.900 8.098 3.790 1.00 0.00 C ATOM 520 O ALA A 38 2.377 9.198 3.622 1.00 0.00 O ATOM 521 CB ALA A 38 5.425 7.951 4.053 1.00 0.00 C ATOM 0 H ALA A 38 4.677 6.018 5.354 1.00 0.00 H new ATOM 0 HA ALA A 38 4.051 8.781 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.538 8.888 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.223 7.861 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.480 7.116 3.355 1.00 0.00 H new ATOM 527 N MET A 39 2.524 6.987 3.174 1.00 0.00 N ATOM 528 CA MET A 39 1.426 6.993 2.223 1.00 0.00 C ATOM 529 C MET A 39 0.107 7.353 2.910 1.00 0.00 C ATOM 530 O MET A 39 -0.800 7.890 2.276 1.00 0.00 O ATOM 531 CB MET A 39 1.304 5.612 1.575 1.00 0.00 C ATOM 532 CG MET A 39 2.566 5.264 0.784 1.00 0.00 C ATOM 533 SD MET A 39 2.257 5.435 -0.966 1.00 0.00 S ATOM 534 CE MET A 39 1.368 3.918 -1.273 1.00 0.00 C ATOM 0 H MET A 39 2.961 6.076 3.315 1.00 0.00 H new ATOM 0 HA MET A 39 1.634 7.745 1.461 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.134 4.859 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.438 5.592 0.913 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.384 5.919 1.083 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.876 4.244 1.009 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.143 3.837 -2.336 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.979 3.069 -0.966 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.438 3.920 -0.704 1.00 0.00 H new ATOM 544 N GLY A 40 0.044 7.045 4.196 1.00 0.00 N ATOM 545 CA GLY A 40 -1.149 7.330 4.976 1.00 0.00 C ATOM 546 C GLY A 40 -1.735 6.047 5.570 1.00 0.00 C ATOM 547 O GLY A 40 -2.946 5.837 5.530 1.00 0.00 O ATOM 0 H GLY A 40 0.799 6.601 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.906 8.028 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.893 7.816 4.345 1.00 0.00 H new ATOM 551 N PHE A 41 -0.848 5.222 6.107 1.00 0.00 N ATOM 552 CA PHE A 41 -1.262 3.966 6.709 1.00 0.00 C ATOM 553 C PHE A 41 -0.811 3.882 8.168 1.00 0.00 C ATOM 554 O PHE A 41 0.111 4.586 8.578 1.00 0.00 O ATOM 555 CB PHE A 41 -0.588 2.846 5.914 1.00 0.00 C ATOM 556 CG PHE A 41 -1.212 2.596 4.539 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.561 2.483 4.415 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.417 2.488 3.441 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.140 2.251 3.140 1.00 0.00 C ATOM 560 CE2 PHE A 41 -0.995 2.256 2.165 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.345 2.142 2.041 1.00 0.00 C ATOM 0 H PHE A 41 0.156 5.399 6.138 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.349 3.884 6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.466 3.090 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.632 1.925 6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.192 2.570 5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.655 2.579 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.212 2.161 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.363 2.170 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.785 1.965 1.071 1.00 0.00 H new ATOM 571 N ASP A 42 -1.482 3.015 8.912 1.00 0.00 N ATOM 572 CA ASP A 42 -1.162 2.830 10.318 1.00 0.00 C ATOM 573 C ASP A 42 -0.037 1.800 10.448 1.00 0.00 C ATOM 574 O ASP A 42 -0.109 0.720 9.865 1.00 0.00 O ATOM 575 CB ASP A 42 -2.372 2.309 11.094 1.00 0.00 C ATOM 576 CG ASP A 42 -2.445 2.756 12.555 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.705 3.705 12.896 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.238 2.140 13.299 1.00 0.00 O ATOM 0 H ASP A 42 -2.246 2.433 8.568 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.861 3.795 10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.279 2.635 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.363 1.219 11.063 1.00 0.00 H new ATOM 583 N ARG A 43 0.975 2.172 11.218 1.00 0.00 N ATOM 584 CA ARG A 43 2.113 1.294 11.433 1.00 0.00 C ATOM 585 C ARG A 43 1.647 -0.157 11.562 1.00 0.00 C ATOM 586 O ARG A 43 2.182 -1.046 10.902 1.00 0.00 O ATOM 587 CB ARG A 43 2.883 1.690 12.695 1.00 0.00 C ATOM 588 CG ARG A 43 4.163 0.864 12.838 1.00 0.00 C ATOM 589 CD ARG A 43 5.316 1.725 13.357 1.00 0.00 C ATOM 590 NE ARG A 43 6.560 0.925 13.413 1.00 0.00 N ATOM 591 CZ ARG A 43 6.801 -0.027 14.325 1.00 0.00 C ATOM 592 NH1 ARG A 43 5.885 -0.302 15.263 1.00 0.00 N ATOM 593 NH2 ARG A 43 7.958 -0.702 14.299 1.00 0.00 N ATOM 0 H ARG A 43 1.031 3.069 11.700 1.00 0.00 H new ATOM 0 HA ARG A 43 2.774 1.391 10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.133 2.750 12.655 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.252 1.544 13.571 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.989 0.033 13.521 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.432 0.433 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.458 2.588 12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.076 2.109 14.348 1.00 0.00 H new ATOM 0 HE ARG A 43 7.279 1.110 12.714 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.005 0.213 15.283 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.068 -1.026 15.957 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.655 -0.491 13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.141 -1.427 14.993 1.00 0.00 H new ATOM 607 N THR A 44 0.654 -0.353 12.418 1.00 0.00 N ATOM 608 CA THR A 44 0.110 -1.681 12.642 1.00 0.00 C ATOM 609 C THR A 44 -0.335 -2.305 11.318 1.00 0.00 C ATOM 610 O THR A 44 0.211 -3.322 10.892 1.00 0.00 O ATOM 611 CB THR A 44 -1.020 -1.562 13.667 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.345 -1.326 14.900 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.750 -2.888 13.890 1.00 0.00 C ATOM 0 H THR A 44 0.212 0.386 12.965 1.00 0.00 H new ATOM 0 HA THR A 44 0.866 -2.355 13.046 1.00 0.00 H new ATOM 0 HB THR A 44 -1.733 -0.807 13.336 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.003 -1.234 15.621 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.542 -2.748 14.626 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.184 -3.227 12.949 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.044 -3.635 14.254 1.00 0.00 H new ATOM 621 N GLN A 45 -1.323 -1.671 10.703 1.00 0.00 N ATOM 622 CA GLN A 45 -1.848 -2.152 9.436 1.00 0.00 C ATOM 623 C GLN A 45 -0.706 -2.622 8.533 1.00 0.00 C ATOM 624 O GLN A 45 -0.842 -3.616 7.821 1.00 0.00 O ATOM 625 CB GLN A 45 -2.685 -1.074 8.745 1.00 0.00 C ATOM 626 CG GLN A 45 -3.892 -0.685 9.601 1.00 0.00 C ATOM 627 CD GLN A 45 -5.192 -0.812 8.805 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.930 -1.776 8.922 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.431 0.213 7.991 1.00 0.00 N ATOM 0 H GLN A 45 -1.774 -0.828 11.059 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.502 -3.001 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.069 -0.195 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.024 -1.438 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.938 -1.324 10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.777 0.340 9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.771 0.989 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.274 0.223 7.417 1.00 0.00 H new ATOM 638 N VAL A 46 0.395 -1.886 8.593 1.00 0.00 N ATOM 639 CA VAL A 46 1.559 -2.216 7.789 1.00 0.00 C ATOM 640 C VAL A 46 2.154 -3.538 8.278 1.00 0.00 C ATOM 641 O VAL A 46 2.169 -4.525 7.544 1.00 0.00 O ATOM 642 CB VAL A 46 2.562 -1.061 7.823 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.753 -1.341 6.903 1.00 0.00 C ATOM 644 CG2 VAL A 46 1.887 0.263 7.458 1.00 0.00 C ATOM 0 H VAL A 46 0.505 -1.063 9.186 1.00 0.00 H new ATOM 0 HA VAL A 46 1.276 -2.353 6.745 1.00 0.00 H new ATOM 0 HB VAL A 46 2.939 -0.975 8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.451 -0.504 6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.257 -2.251 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.400 -1.467 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.622 1.067 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.469 0.193 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.089 0.473 8.170 1.00 0.00 H new ATOM 654 N GLU A 47 2.629 -3.515 9.515 1.00 0.00 N ATOM 655 CA GLU A 47 3.223 -4.700 10.110 1.00 0.00 C ATOM 656 C GLU A 47 2.367 -5.931 9.809 1.00 0.00 C ATOM 657 O GLU A 47 2.857 -6.911 9.251 1.00 0.00 O ATOM 658 CB GLU A 47 3.413 -4.519 11.618 1.00 0.00 C ATOM 659 CG GLU A 47 4.515 -3.499 11.913 1.00 0.00 C ATOM 660 CD GLU A 47 5.260 -3.854 13.201 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.752 -5.001 13.274 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.321 -2.971 14.083 1.00 0.00 O ATOM 0 H GLU A 47 2.614 -2.695 10.121 1.00 0.00 H new ATOM 0 HA GLU A 47 4.208 -4.850 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.477 -4.189 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.667 -5.476 12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.217 -3.466 11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.080 -2.504 12.003 1.00 0.00 H new ATOM 669 N VAL A 48 1.102 -5.841 10.192 1.00 0.00 N ATOM 670 CA VAL A 48 0.172 -6.935 9.971 1.00 0.00 C ATOM 671 C VAL A 48 0.289 -7.412 8.521 1.00 0.00 C ATOM 672 O VAL A 48 0.485 -8.599 8.268 1.00 0.00 O ATOM 673 CB VAL A 48 -1.246 -6.502 10.345 1.00 0.00 C ATOM 674 CG1 VAL A 48 -2.270 -7.561 9.934 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.348 -6.192 11.840 1.00 0.00 C ATOM 0 H VAL A 48 0.699 -5.026 10.655 1.00 0.00 H new ATOM 0 HA VAL A 48 0.418 -7.781 10.613 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.472 -5.588 9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.270 -7.227 10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.224 -7.712 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.047 -8.499 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.367 -5.886 12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.092 -7.082 12.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.659 -5.386 12.092 1.00 0.00 H new ATOM 685 N ALA A 49 0.162 -6.461 7.608 1.00 0.00 N ATOM 686 CA ALA A 49 0.251 -6.768 6.190 1.00 0.00 C ATOM 687 C ALA A 49 1.646 -7.314 5.877 1.00 0.00 C ATOM 688 O ALA A 49 1.789 -8.470 5.480 1.00 0.00 O ATOM 689 CB ALA A 49 -0.082 -5.518 5.374 1.00 0.00 C ATOM 0 H ALA A 49 -0.002 -5.477 7.822 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.473 -7.536 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.015 -5.749 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.093 -5.188 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.625 -4.725 5.618 1.00 0.00 H new ATOM 695 N LEU A 50 2.638 -6.457 6.068 1.00 0.00 N ATOM 696 CA LEU A 50 4.016 -6.840 5.811 1.00 0.00 C ATOM 697 C LEU A 50 4.227 -8.293 6.241 1.00 0.00 C ATOM 698 O LEU A 50 5.021 -9.013 5.638 1.00 0.00 O ATOM 699 CB LEU A 50 4.979 -5.855 6.479 1.00 0.00 C ATOM 700 CG LEU A 50 5.293 -4.583 5.689 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.791 -3.472 6.615 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.280 -4.871 4.556 1.00 0.00 C ATOM 0 H LEU A 50 2.515 -5.499 6.397 1.00 0.00 H new ATOM 0 HA LEU A 50 4.232 -6.789 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.561 -5.566 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.916 -6.374 6.681 1.00 0.00 H new ATOM 0 HG LEU A 50 4.370 -4.229 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.007 -2.579 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.024 -3.244 7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.698 -3.801 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.486 -3.950 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.208 -5.262 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.850 -5.607 3.877 1.00 0.00 H new ATOM 714 N ALA A 51 3.501 -8.681 7.279 1.00 0.00 N ATOM 715 CA ALA A 51 3.598 -10.035 7.796 1.00 0.00 C ATOM 716 C ALA A 51 3.098 -11.018 6.736 1.00 0.00 C ATOM 717 O ALA A 51 3.842 -11.893 6.296 1.00 0.00 O ATOM 718 CB ALA A 51 2.812 -10.140 9.105 1.00 0.00 C ATOM 0 H ALA A 51 2.843 -8.081 7.776 1.00 0.00 H new ATOM 0 HA ALA A 51 4.635 -10.288 8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.885 -11.156 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.225 -9.443 9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.766 -9.896 8.922 1.00 0.00 H new ATOM 724 N ALA A 52 1.841 -10.841 6.356 1.00 0.00 N ATOM 725 CA ALA A 52 1.234 -11.702 5.356 1.00 0.00 C ATOM 726 C ALA A 52 1.906 -11.458 4.003 1.00 0.00 C ATOM 727 O ALA A 52 2.012 -12.371 3.185 1.00 0.00 O ATOM 728 CB ALA A 52 -0.274 -11.447 5.311 1.00 0.00 C ATOM 0 H ALA A 52 1.227 -10.114 6.723 1.00 0.00 H new ATOM 0 HA ALA A 52 1.381 -12.751 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.730 -12.093 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.709 -11.662 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.459 -10.404 5.053 1.00 0.00 H new ATOM 734 N ALA A 53 2.344 -10.223 3.810 1.00 0.00 N ATOM 735 CA ALA A 53 3.004 -9.848 2.570 1.00 0.00 C ATOM 736 C ALA A 53 4.402 -10.468 2.534 1.00 0.00 C ATOM 737 O ALA A 53 5.056 -10.473 1.493 1.00 0.00 O ATOM 738 CB ALA A 53 3.039 -8.323 2.451 1.00 0.00 C ATOM 0 H ALA A 53 2.255 -9.469 4.491 1.00 0.00 H new ATOM 0 HA ALA A 53 2.452 -10.229 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.534 -8.042 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.021 -7.935 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.588 -7.905 3.295 1.00 0.00 H new ATOM 744 N ASP A 54 4.819 -10.977 3.685 1.00 0.00 N ATOM 745 CA ASP A 54 6.128 -11.598 3.798 1.00 0.00 C ATOM 746 C ASP A 54 7.207 -10.571 3.450 1.00 0.00 C ATOM 747 O ASP A 54 8.115 -10.858 2.672 1.00 0.00 O ATOM 748 CB ASP A 54 6.265 -12.774 2.829 1.00 0.00 C ATOM 749 CG ASP A 54 5.654 -14.089 3.317 1.00 0.00 C ATOM 750 OD1 ASP A 54 4.661 -14.007 4.072 1.00 0.00 O ATOM 751 OD2 ASP A 54 6.193 -15.146 2.924 1.00 0.00 O ATOM 0 H ASP A 54 4.273 -10.972 4.547 1.00 0.00 H new ATOM 0 HA ASP A 54 6.243 -11.958 4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.797 -12.502 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.323 -12.936 2.626 1.00 0.00 H new ATOM 756 N ASP A 55 7.072 -9.394 4.045 1.00 0.00 N ATOM 757 CA ASP A 55 8.024 -8.322 3.808 1.00 0.00 C ATOM 758 C ASP A 55 7.936 -7.881 2.345 1.00 0.00 C ATOM 759 O ASP A 55 8.951 -7.573 1.724 1.00 0.00 O ATOM 760 CB ASP A 55 9.457 -8.790 4.074 1.00 0.00 C ATOM 761 CG ASP A 55 10.506 -7.677 4.097 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.085 -6.501 4.145 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.706 -8.027 4.065 1.00 0.00 O ATOM 0 H ASP A 55 6.318 -9.160 4.690 1.00 0.00 H new ATOM 0 HA ASP A 55 7.781 -7.500 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.481 -9.312 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.735 -9.515 3.309 1.00 0.00 H new ATOM 768 N ASP A 56 6.711 -7.865 1.839 1.00 0.00 N ATOM 769 CA ASP A 56 6.477 -7.467 0.461 1.00 0.00 C ATOM 770 C ASP A 56 5.619 -6.200 0.440 1.00 0.00 C ATOM 771 O ASP A 56 4.407 -6.263 0.639 1.00 0.00 O ATOM 772 CB ASP A 56 5.728 -8.557 -0.308 1.00 0.00 C ATOM 773 CG ASP A 56 5.659 -8.349 -1.822 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.794 -7.179 -2.241 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.471 -9.364 -2.526 1.00 0.00 O ATOM 0 H ASP A 56 5.871 -8.121 2.358 1.00 0.00 H new ATOM 0 HA ASP A 56 7.445 -7.295 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.208 -9.515 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.712 -8.622 0.081 1.00 0.00 H new ATOM 780 N LEU A 57 6.282 -5.079 0.198 1.00 0.00 N ATOM 781 CA LEU A 57 5.596 -3.799 0.149 1.00 0.00 C ATOM 782 C LEU A 57 4.504 -3.852 -0.921 1.00 0.00 C ATOM 783 O LEU A 57 3.334 -3.603 -0.633 1.00 0.00 O ATOM 784 CB LEU A 57 6.599 -2.660 -0.051 1.00 0.00 C ATOM 785 CG LEU A 57 6.713 -1.657 1.099 1.00 0.00 C ATOM 786 CD1 LEU A 57 7.795 -0.615 0.811 1.00 0.00 C ATOM 787 CD2 LEU A 57 5.359 -1.010 1.398 1.00 0.00 C ATOM 0 H LEU A 57 7.287 -5.030 0.034 1.00 0.00 H new ATOM 0 HA LEU A 57 5.103 -3.594 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.583 -3.095 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.326 -2.116 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 57 7.017 -2.197 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.856 0.086 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.756 -1.114 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.545 -0.074 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.468 -0.301 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.002 -0.486 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.641 -1.781 1.677 1.00 0.00 H new ATOM 799 N THR A 58 4.924 -4.178 -2.135 1.00 0.00 N ATOM 800 CA THR A 58 3.997 -4.266 -3.249 1.00 0.00 C ATOM 801 C THR A 58 2.700 -4.949 -2.811 1.00 0.00 C ATOM 802 O THR A 58 1.614 -4.398 -2.986 1.00 0.00 O ATOM 803 CB THR A 58 4.705 -4.988 -4.398 1.00 0.00 C ATOM 804 OG1 THR A 58 5.619 -4.020 -4.905 1.00 0.00 O ATOM 805 CG2 THR A 58 3.770 -5.272 -5.576 1.00 0.00 C ATOM 0 H THR A 58 5.895 -4.384 -2.371 1.00 0.00 H new ATOM 0 HA THR A 58 3.705 -3.276 -3.599 1.00 0.00 H new ATOM 0 HB THR A 58 5.124 -5.926 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.122 -4.405 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.322 -5.785 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.945 -5.901 -5.242 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.376 -4.332 -5.963 1.00 0.00 H new ATOM 813 N VAL A 59 2.855 -6.138 -2.248 1.00 0.00 N ATOM 814 CA VAL A 59 1.710 -6.902 -1.783 1.00 0.00 C ATOM 815 C VAL A 59 1.090 -6.197 -0.575 1.00 0.00 C ATOM 816 O VAL A 59 -0.108 -5.918 -0.562 1.00 0.00 O ATOM 817 CB VAL A 59 2.128 -8.343 -1.485 1.00 0.00 C ATOM 818 CG1 VAL A 59 0.927 -9.182 -1.045 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.824 -8.973 -2.694 1.00 0.00 C ATOM 0 H VAL A 59 3.757 -6.591 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 59 0.945 -6.954 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 59 2.841 -8.322 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.252 -10.202 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.493 -8.751 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.180 -9.192 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.111 -9.997 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.143 -8.976 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.714 -8.395 -2.943 1.00 0.00 H new ATOM 829 N ALA A 60 1.933 -5.930 0.411 1.00 0.00 N ATOM 830 CA ALA A 60 1.483 -5.264 1.621 1.00 0.00 C ATOM 831 C ALA A 60 0.579 -4.088 1.245 1.00 0.00 C ATOM 832 O ALA A 60 -0.568 -4.016 1.684 1.00 0.00 O ATOM 833 CB ALA A 60 2.695 -4.826 2.445 1.00 0.00 C ATOM 0 H ALA A 60 2.926 -6.163 0.397 1.00 0.00 H new ATOM 0 HA ALA A 60 0.898 -5.946 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.357 -4.326 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.289 -5.700 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.305 -4.139 1.858 1.00 0.00 H new ATOM 839 N VAL A 61 1.130 -3.195 0.435 1.00 0.00 N ATOM 840 CA VAL A 61 0.388 -2.026 -0.006 1.00 0.00 C ATOM 841 C VAL A 61 -1.048 -2.436 -0.342 1.00 0.00 C ATOM 842 O VAL A 61 -2.000 -1.839 0.158 1.00 0.00 O ATOM 843 CB VAL A 61 1.110 -1.360 -1.179 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.273 -0.219 -1.761 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.495 -0.865 -0.760 1.00 0.00 C ATOM 0 H VAL A 61 2.081 -3.258 0.073 1.00 0.00 H new ATOM 0 HA VAL A 61 0.336 -1.283 0.790 1.00 0.00 H new ATOM 0 HB VAL A 61 1.244 -2.109 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.809 0.238 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.681 -0.611 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.094 0.530 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.987 -0.396 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.393 -0.138 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.094 -1.708 -0.415 1.00 0.00 H new ATOM 855 N GLU A 62 -1.157 -3.451 -1.187 1.00 0.00 N ATOM 856 CA GLU A 62 -2.460 -3.947 -1.595 1.00 0.00 C ATOM 857 C GLU A 62 -3.311 -4.278 -0.368 1.00 0.00 C ATOM 858 O GLU A 62 -4.503 -3.977 -0.334 1.00 0.00 O ATOM 859 CB GLU A 62 -2.321 -5.164 -2.511 1.00 0.00 C ATOM 860 CG GLU A 62 -1.623 -4.789 -3.820 1.00 0.00 C ATOM 861 CD GLU A 62 -2.525 -3.912 -4.690 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.732 -4.229 -4.757 1.00 0.00 O ATOM 863 OE2 GLU A 62 -1.987 -2.944 -5.270 1.00 0.00 O ATOM 0 H GLU A 62 -0.365 -3.943 -1.600 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.964 -3.163 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.753 -5.943 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.307 -5.576 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.695 -4.260 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.354 -5.694 -4.365 1.00 0.00 H new ATOM 870 N ILE A 63 -2.665 -4.894 0.611 1.00 0.00 N ATOM 871 CA ILE A 63 -3.348 -5.270 1.838 1.00 0.00 C ATOM 872 C ILE A 63 -3.801 -4.007 2.572 1.00 0.00 C ATOM 873 O ILE A 63 -4.953 -3.908 2.992 1.00 0.00 O ATOM 874 CB ILE A 63 -2.463 -6.188 2.684 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.386 -7.590 2.075 1.00 0.00 C ATOM 876 CG2 ILE A 63 -2.937 -6.220 4.138 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.167 -8.350 2.601 1.00 0.00 C ATOM 0 H ILE A 63 -1.676 -5.142 0.580 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.245 -5.848 1.613 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.452 -5.781 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.294 -8.144 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.332 -7.516 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.291 -6.880 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.897 -5.214 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.962 -6.589 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.136 -9.343 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.259 -7.806 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.236 -8.443 3.685 1.00 0.00 H new ATOM 889 N LEU A 64 -2.872 -3.071 2.704 1.00 0.00 N ATOM 890 CA LEU A 64 -3.162 -1.818 3.379 1.00 0.00 C ATOM 891 C LEU A 64 -4.353 -1.141 2.698 1.00 0.00 C ATOM 892 O LEU A 64 -5.275 -0.676 3.369 1.00 0.00 O ATOM 893 CB LEU A 64 -1.910 -0.942 3.444 1.00 0.00 C ATOM 894 CG LEU A 64 -0.844 -1.368 4.456 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.986 -0.586 5.763 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.880 -2.880 4.685 1.00 0.00 C ATOM 0 H LEU A 64 -1.918 -3.156 2.355 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.448 -2.000 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.454 -0.920 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.216 0.078 3.677 1.00 0.00 H new ATOM 0 HG LEU A 64 0.136 -1.128 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.217 -0.908 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.873 0.480 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.970 -0.772 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.113 -3.157 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.860 -3.167 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.693 -3.395 3.743 1.00 0.00 H new ATOM 908 N MET A 65 -4.296 -1.105 1.375 1.00 0.00 N ATOM 909 CA MET A 65 -5.358 -0.492 0.596 1.00 0.00 C ATOM 910 C MET A 65 -6.724 -1.054 0.994 1.00 0.00 C ATOM 911 O MET A 65 -7.651 -0.298 1.280 1.00 0.00 O ATOM 912 CB MET A 65 -5.114 -0.749 -0.892 1.00 0.00 C ATOM 913 CG MET A 65 -4.050 0.201 -1.445 1.00 0.00 C ATOM 914 SD MET A 65 -4.759 1.242 -2.710 1.00 0.00 S ATOM 915 CE MET A 65 -3.278 2.006 -3.349 1.00 0.00 C ATOM 0 H MET A 65 -3.530 -1.491 0.822 1.00 0.00 H new ATOM 0 HA MET A 65 -5.355 0.580 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.797 -1.781 -1.039 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.045 -0.620 -1.444 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.646 0.816 -0.641 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.219 -0.371 -1.857 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.541 2.693 -4.154 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.779 2.556 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.608 1.237 -3.733 1.00 0.00 H new ATOM 925 N SER A 66 -6.805 -2.376 1.000 1.00 0.00 N ATOM 926 CA SER A 66 -8.043 -3.048 1.358 1.00 0.00 C ATOM 927 C SER A 66 -8.473 -2.637 2.768 1.00 0.00 C ATOM 928 O SER A 66 -9.566 -2.106 2.957 1.00 0.00 O ATOM 929 CB SER A 66 -7.889 -4.568 1.273 1.00 0.00 C ATOM 930 OG SER A 66 -9.022 -5.250 1.802 1.00 0.00 O ATOM 0 H SER A 66 -6.034 -3.000 0.763 1.00 0.00 H new ATOM 0 HA SER A 66 -8.813 -2.747 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.743 -4.860 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.995 -4.873 1.818 1.00 0.00 H new ATOM 0 HG SER A 66 -8.885 -6.218 1.728 1.00 0.00 H new ATOM 936 N GLN A 67 -7.591 -2.898 3.721 1.00 0.00 N ATOM 937 CA GLN A 67 -7.865 -2.562 5.108 1.00 0.00 C ATOM 938 C GLN A 67 -8.568 -1.206 5.196 1.00 0.00 C ATOM 939 O GLN A 67 -9.642 -1.096 5.786 1.00 0.00 O ATOM 940 CB GLN A 67 -6.581 -2.569 5.939 1.00 0.00 C ATOM 941 CG GLN A 67 -6.026 -3.988 6.078 1.00 0.00 C ATOM 942 CD GLN A 67 -5.330 -4.174 7.429 1.00 0.00 C ATOM 943 OE1 GLN A 67 -5.939 -4.521 8.427 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.024 -3.924 7.404 1.00 0.00 N ATOM 0 H GLN A 67 -6.685 -3.339 3.560 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.529 -3.322 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.836 -1.928 5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.781 -2.154 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.836 -4.711 5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.321 -4.187 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.576 -3.637 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.470 -4.019 8.255 1.00 0.00 H new ATOM 953 N SER A 68 -7.933 -0.207 4.600 1.00 0.00 N ATOM 954 CA SER A 68 -8.484 1.138 4.603 1.00 0.00 C ATOM 955 C SER A 68 -7.736 2.013 3.595 1.00 0.00 C ATOM 956 O SER A 68 -6.511 2.110 3.642 1.00 0.00 O ATOM 957 CB SER A 68 -8.413 1.759 6.000 1.00 0.00 C ATOM 958 OG SER A 68 -9.689 2.203 6.452 1.00 0.00 O ATOM 0 H SER A 68 -7.042 -0.302 4.112 1.00 0.00 H new ATOM 0 HA SER A 68 -9.533 1.078 4.314 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.014 1.027 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.720 2.600 5.988 1.00 0.00 H new ATOM 0 HG SER A 68 -9.602 2.591 7.348 1.00 0.00 H new ATOM 964 N GLY A 69 -8.505 2.627 2.708 1.00 0.00 N ATOM 965 CA GLY A 69 -7.930 3.490 1.690 1.00 0.00 C ATOM 966 C GLY A 69 -8.976 3.872 0.641 1.00 0.00 C ATOM 967 O GLY A 69 -9.248 3.102 -0.279 1.00 0.00 O ATOM 0 H GLY A 69 -9.521 2.544 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.530 4.391 2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.094 2.983 1.208 1.00 0.00 H new ATOM 971 N PRO A 70 -9.549 5.093 0.818 1.00 0.00 N ATOM 972 CA PRO A 70 -10.559 5.586 -0.102 1.00 0.00 C ATOM 973 C PRO A 70 -9.926 6.037 -1.420 1.00 0.00 C ATOM 974 O PRO A 70 -9.219 7.043 -1.462 1.00 0.00 O ATOM 975 CB PRO A 70 -11.250 6.717 0.642 1.00 0.00 C ATOM 976 CG PRO A 70 -10.303 7.121 1.760 1.00 0.00 C ATOM 977 CD PRO A 70 -9.251 6.031 1.896 1.00 0.00 C ATOM 0 HA PRO A 70 -11.277 4.818 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.450 7.557 -0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.210 6.392 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.834 8.079 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.848 7.245 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.244 6.438 1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.307 5.546 2.870 1.00 0.00 H new ATOM 985 N SER A 71 -10.202 5.270 -2.465 1.00 0.00 N ATOM 986 CA SER A 71 -9.669 5.578 -3.781 1.00 0.00 C ATOM 987 C SER A 71 -10.475 6.710 -4.421 1.00 0.00 C ATOM 988 O SER A 71 -11.446 6.459 -5.133 1.00 0.00 O ATOM 989 CB SER A 71 -9.681 4.342 -4.683 1.00 0.00 C ATOM 990 OG SER A 71 -9.151 4.619 -5.976 1.00 0.00 O ATOM 0 H SER A 71 -10.788 4.436 -2.427 1.00 0.00 H new ATOM 0 HA SER A 71 -8.634 5.899 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.100 3.547 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.703 3.975 -4.781 1.00 0.00 H new ATOM 0 HG SER A 71 -9.175 3.805 -6.521 1.00 0.00 H new ATOM 996 N SER A 72 -10.042 7.931 -4.144 1.00 0.00 N ATOM 997 CA SER A 72 -10.711 9.102 -4.684 1.00 0.00 C ATOM 998 C SER A 72 -9.717 10.257 -4.819 1.00 0.00 C ATOM 999 O SER A 72 -8.863 10.450 -3.955 1.00 0.00 O ATOM 1000 CB SER A 72 -11.891 9.518 -3.802 1.00 0.00 C ATOM 1001 OG SER A 72 -12.897 10.200 -4.545 1.00 0.00 O ATOM 0 H SER A 72 -9.236 8.135 -3.553 1.00 0.00 H new ATOM 0 HA SER A 72 -11.100 8.849 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.323 8.634 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.534 10.162 -2.999 1.00 0.00 H new ATOM 0 HG SER A 72 -13.634 10.447 -3.948 1.00 0.00 H new ATOM 1007 N GLY A 73 -9.861 10.995 -5.910 1.00 0.00 N ATOM 1008 CA GLY A 73 -8.986 12.126 -6.170 1.00 0.00 C ATOM 1009 C GLY A 73 -8.109 11.870 -7.397 1.00 0.00 C ATOM 1010 O GLY A 73 -8.516 12.148 -8.524 1.00 0.00 O ATOM 0 H GLY A 73 -10.571 10.832 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.583 13.024 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.356 12.310 -5.300 1.00 0.00 H new TER 1014 GLY A 73