USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 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 Single : A 1 GLY N :NH3+ 135:sc= 0.0223 (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 39:sc= 0.0554 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.1) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc=-0.00278 X(o=-0.0028,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.72 K(o=0.72,f=-7.6!) USER MOD Single : A 34 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.4!) USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= 0.366 (180deg=-0.00592) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.03 K(o=-1,f=-3.2!) 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 67 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 9:sc= 1.16 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.990 -39.439 44.411 1.00 0.00 N ATOM 2 CA GLY A 1 -15.655 -39.672 43.016 1.00 0.00 C ATOM 3 C GLY A 1 -16.385 -38.684 42.104 1.00 0.00 C ATOM 4 O GLY A 1 -17.545 -38.351 42.346 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.186 -40.348 44.878 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.192 -38.971 44.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.832 -38.832 44.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.578 -39.575 42.876 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.921 -40.692 42.740 1.00 0.00 H new ATOM 8 N SER A 2 -15.677 -38.243 41.075 1.00 0.00 N ATOM 9 CA SER A 2 -16.243 -37.300 40.126 1.00 0.00 C ATOM 10 C SER A 2 -16.289 -37.926 38.731 1.00 0.00 C ATOM 11 O SER A 2 -15.687 -38.972 38.496 1.00 0.00 O ATOM 12 CB SER A 2 -15.440 -35.998 40.097 1.00 0.00 C ATOM 13 OG SER A 2 -15.536 -35.284 41.327 1.00 0.00 O ATOM 0 H SER A 2 -14.716 -38.522 40.878 1.00 0.00 H new ATOM 0 HA SER A 2 -17.258 -37.062 40.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.394 -36.222 39.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.800 -35.368 39.283 1.00 0.00 H new ATOM 0 HG SER A 2 -15.009 -34.460 41.269 1.00 0.00 H new ATOM 19 N SER A 3 -17.009 -37.258 37.841 1.00 0.00 N ATOM 20 CA SER A 3 -17.141 -37.736 36.475 1.00 0.00 C ATOM 21 C SER A 3 -16.159 -36.997 35.564 1.00 0.00 C ATOM 22 O SER A 3 -15.780 -37.506 34.511 1.00 0.00 O ATOM 23 CB SER A 3 -18.573 -37.558 35.966 1.00 0.00 C ATOM 24 OG SER A 3 -18.824 -36.224 35.532 1.00 0.00 O ATOM 0 H SER A 3 -17.507 -36.390 38.039 1.00 0.00 H new ATOM 0 HA SER A 3 -16.908 -38.801 36.461 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.753 -38.247 35.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.274 -37.819 36.758 1.00 0.00 H new ATOM 0 HG SER A 3 -19.748 -36.152 35.213 1.00 0.00 H new ATOM 30 N GLY A 4 -15.774 -35.808 36.004 1.00 0.00 N ATOM 31 CA GLY A 4 -14.843 -34.993 35.242 1.00 0.00 C ATOM 32 C GLY A 4 -15.561 -33.820 34.572 1.00 0.00 C ATOM 33 O GLY A 4 -16.790 -33.779 34.536 1.00 0.00 O ATOM 0 H GLY A 4 -16.090 -35.389 36.879 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.061 -34.616 35.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.354 -35.605 34.484 1.00 0.00 H new ATOM 37 N SER A 5 -14.764 -32.896 34.057 1.00 0.00 N ATOM 38 CA SER A 5 -15.308 -31.725 33.391 1.00 0.00 C ATOM 39 C SER A 5 -14.172 -30.821 32.909 1.00 0.00 C ATOM 40 O SER A 5 -13.014 -31.027 33.270 1.00 0.00 O ATOM 41 CB SER A 5 -16.247 -30.949 34.318 1.00 0.00 C ATOM 42 OG SER A 5 -17.371 -30.422 33.619 1.00 0.00 O ATOM 0 H SER A 5 -13.745 -32.934 34.087 1.00 0.00 H new ATOM 0 HA SER A 5 -15.887 -32.060 32.530 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.592 -31.605 35.117 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.699 -30.134 34.790 1.00 0.00 H new ATOM 0 HG SER A 5 -17.947 -29.935 34.245 1.00 0.00 H new ATOM 48 N SER A 6 -14.542 -29.839 32.100 1.00 0.00 N ATOM 49 CA SER A 6 -13.568 -28.903 31.565 1.00 0.00 C ATOM 50 C SER A 6 -14.254 -27.585 31.202 1.00 0.00 C ATOM 51 O SER A 6 -15.481 -27.507 31.171 1.00 0.00 O ATOM 52 CB SER A 6 -12.858 -29.486 30.342 1.00 0.00 C ATOM 53 OG SER A 6 -11.587 -30.039 30.675 1.00 0.00 O ATOM 0 H SER A 6 -15.503 -29.671 31.802 1.00 0.00 H new ATOM 0 HA SER A 6 -12.817 -28.715 32.332 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.483 -30.258 29.894 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.729 -28.706 29.592 1.00 0.00 H new ATOM 0 HG SER A 6 -11.644 -30.491 31.543 1.00 0.00 H new ATOM 59 N GLY A 7 -13.431 -26.580 30.936 1.00 0.00 N ATOM 60 CA GLY A 7 -13.943 -25.269 30.577 1.00 0.00 C ATOM 61 C GLY A 7 -13.299 -24.765 29.283 1.00 0.00 C ATOM 62 O GLY A 7 -12.650 -25.528 28.570 1.00 0.00 O ATOM 0 H GLY A 7 -12.414 -26.648 30.962 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.025 -25.318 30.454 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.746 -24.564 31.384 1.00 0.00 H new ATOM 66 N SER A 8 -13.501 -23.482 29.021 1.00 0.00 N ATOM 67 CA SER A 8 -12.948 -22.866 27.826 1.00 0.00 C ATOM 68 C SER A 8 -12.606 -21.401 28.103 1.00 0.00 C ATOM 69 O SER A 8 -13.340 -20.711 28.808 1.00 0.00 O ATOM 70 CB SER A 8 -13.922 -22.972 26.651 1.00 0.00 C ATOM 71 OG SER A 8 -13.567 -24.021 25.755 1.00 0.00 O ATOM 0 H SER A 8 -14.040 -22.852 29.615 1.00 0.00 H new ATOM 0 HA SER A 8 -12.037 -23.400 27.556 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.929 -23.145 27.030 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.942 -22.025 26.111 1.00 0.00 H new ATOM 0 HG SER A 8 -14.214 -24.057 25.020 1.00 0.00 H new ATOM 77 N ARG A 9 -11.491 -20.969 27.532 1.00 0.00 N ATOM 78 CA ARG A 9 -11.043 -19.598 27.708 1.00 0.00 C ATOM 79 C ARG A 9 -10.367 -19.092 26.432 1.00 0.00 C ATOM 80 O ARG A 9 -9.772 -19.872 25.690 1.00 0.00 O ATOM 81 CB ARG A 9 -10.062 -19.485 28.877 1.00 0.00 C ATOM 82 CG ARG A 9 -10.806 -19.335 30.205 1.00 0.00 C ATOM 83 CD ARG A 9 -9.832 -19.356 31.385 1.00 0.00 C ATOM 84 NE ARG A 9 -9.722 -18.002 31.974 1.00 0.00 N ATOM 85 CZ ARG A 9 -10.736 -17.356 32.565 1.00 0.00 C ATOM 86 NH1 ARG A 9 -11.942 -17.935 32.648 1.00 0.00 N ATOM 87 NH2 ARG A 9 -10.545 -16.130 33.072 1.00 0.00 N ATOM 0 H ARG A 9 -10.885 -21.544 26.947 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.920 -18.988 27.924 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.427 -20.370 28.910 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.406 -18.628 28.725 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.367 -18.400 30.208 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.531 -20.142 30.313 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.177 -20.063 32.140 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.852 -19.698 31.052 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.818 -17.532 31.927 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.088 -18.867 32.261 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.714 -17.443 33.098 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.628 -15.689 33.008 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.317 -15.638 33.522 1.00 0.00 H new ATOM 101 N GLN A 10 -10.481 -17.790 26.216 1.00 0.00 N ATOM 102 CA GLN A 10 -9.888 -17.172 25.043 1.00 0.00 C ATOM 103 C GLN A 10 -8.474 -16.679 25.360 1.00 0.00 C ATOM 104 O GLN A 10 -8.150 -16.416 26.517 1.00 0.00 O ATOM 105 CB GLN A 10 -10.763 -16.029 24.524 1.00 0.00 C ATOM 106 CG GLN A 10 -10.847 -14.894 25.547 1.00 0.00 C ATOM 107 CD GLN A 10 -10.222 -13.611 24.995 1.00 0.00 C ATOM 108 OE1 GLN A 10 -9.322 -13.633 24.171 1.00 0.00 O ATOM 109 NE2 GLN A 10 -10.747 -12.496 25.493 1.00 0.00 N ATOM 0 H GLN A 10 -10.975 -17.146 26.834 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.822 -17.922 24.255 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.354 -15.650 23.588 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.764 -16.402 24.307 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.889 -14.712 25.808 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.335 -15.187 26.464 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.499 -12.549 26.180 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.398 -11.587 25.188 1.00 0.00 H new ATOM 118 N ALA A 11 -7.672 -16.569 24.311 1.00 0.00 N ATOM 119 CA ALA A 11 -6.300 -16.113 24.463 1.00 0.00 C ATOM 120 C ALA A 11 -6.146 -14.745 23.796 1.00 0.00 C ATOM 121 O ALA A 11 -6.188 -14.640 22.571 1.00 0.00 O ATOM 122 CB ALA A 11 -5.347 -17.158 23.880 1.00 0.00 C ATOM 0 H ALA A 11 -7.945 -16.788 23.353 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.048 -15.996 25.517 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.318 -16.816 23.994 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.476 -18.103 24.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.567 -17.301 22.822 1.00 0.00 H new ATOM 128 N PRO A 12 -5.965 -13.705 24.653 1.00 0.00 N ATOM 129 CA PRO A 12 -5.804 -12.348 24.158 1.00 0.00 C ATOM 130 C PRO A 12 -4.410 -12.144 23.562 1.00 0.00 C ATOM 131 O PRO A 12 -3.511 -12.954 23.783 1.00 0.00 O ATOM 132 CB PRO A 12 -6.072 -11.457 25.360 1.00 0.00 C ATOM 133 CG PRO A 12 -5.916 -12.347 26.582 1.00 0.00 C ATOM 134 CD PRO A 12 -5.910 -13.792 26.109 1.00 0.00 C ATOM 0 HA PRO A 12 -6.489 -12.113 23.344 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.371 -10.623 25.392 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.074 -11.029 25.314 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.990 -12.114 27.108 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.733 -12.178 27.284 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.012 -14.314 26.441 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.763 -14.342 26.505 1.00 0.00 H new ATOM 142 N ILE A 13 -4.273 -11.056 22.817 1.00 0.00 N ATOM 143 CA ILE A 13 -3.003 -10.735 22.188 1.00 0.00 C ATOM 144 C ILE A 13 -2.006 -10.290 23.259 1.00 0.00 C ATOM 145 O ILE A 13 -2.272 -9.352 24.009 1.00 0.00 O ATOM 146 CB ILE A 13 -3.204 -9.710 21.070 1.00 0.00 C ATOM 147 CG1 ILE A 13 -4.105 -10.270 19.967 1.00 0.00 C ATOM 148 CG2 ILE A 13 -1.860 -9.227 20.521 1.00 0.00 C ATOM 149 CD1 ILE A 13 -5.500 -9.643 20.028 1.00 0.00 C ATOM 0 H ILE A 13 -5.020 -10.386 22.635 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.581 -11.618 21.708 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.712 -8.842 21.491 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.657 -10.075 18.993 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.184 -11.352 20.071 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.031 -8.499 19.728 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.286 -8.762 21.322 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.304 -10.075 20.121 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.120 -10.058 19.234 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.955 -9.860 20.995 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.420 -8.564 19.899 1.00 0.00 H new ATOM 161 N ALA A 14 -0.878 -10.984 23.296 1.00 0.00 N ATOM 162 CA ALA A 14 0.161 -10.672 24.263 1.00 0.00 C ATOM 163 C ALA A 14 1.461 -11.365 23.850 1.00 0.00 C ATOM 164 O ALA A 14 1.951 -12.245 24.555 1.00 0.00 O ATOM 165 CB ALA A 14 -0.301 -11.087 25.661 1.00 0.00 C ATOM 0 H ALA A 14 -0.661 -11.761 22.672 1.00 0.00 H new ATOM 0 HA ALA A 14 0.352 -9.599 24.288 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.478 -10.853 26.386 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.211 -10.546 25.919 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.500 -12.159 25.675 1.00 0.00 H new ATOM 171 N ASN A 15 1.983 -10.940 22.708 1.00 0.00 N ATOM 172 CA ASN A 15 3.217 -11.508 22.192 1.00 0.00 C ATOM 173 C ASN A 15 4.287 -10.417 22.126 1.00 0.00 C ATOM 174 O ASN A 15 3.998 -9.280 21.758 1.00 0.00 O ATOM 175 CB ASN A 15 3.020 -12.064 20.780 1.00 0.00 C ATOM 176 CG ASN A 15 3.923 -13.274 20.536 1.00 0.00 C ATOM 177 OD1 ASN A 15 3.611 -14.397 20.897 1.00 0.00 O ATOM 178 ND2 ASN A 15 5.057 -12.984 19.904 1.00 0.00 N ATOM 0 H ASN A 15 1.574 -10.209 22.126 1.00 0.00 H new ATOM 0 HA ASN A 15 3.521 -12.316 22.858 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.977 -12.350 20.640 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.239 -11.288 20.046 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.727 -13.724 19.694 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.256 -12.022 19.630 1.00 0.00 H new ATOM 185 N ALA A 16 5.502 -10.802 22.489 1.00 0.00 N ATOM 186 CA ALA A 16 6.617 -9.871 22.475 1.00 0.00 C ATOM 187 C ALA A 16 7.274 -9.888 21.094 1.00 0.00 C ATOM 188 O ALA A 16 7.548 -10.954 20.546 1.00 0.00 O ATOM 189 CB ALA A 16 7.599 -10.233 23.592 1.00 0.00 C ATOM 0 H ALA A 16 5.738 -11.746 22.795 1.00 0.00 H new ATOM 0 HA ALA A 16 6.270 -8.855 22.662 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.436 -9.534 23.581 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.091 -10.177 24.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.970 -11.246 23.436 1.00 0.00 H new ATOM 195 N ALA A 17 7.506 -8.693 20.569 1.00 0.00 N ATOM 196 CA ALA A 17 8.125 -8.557 19.262 1.00 0.00 C ATOM 197 C ALA A 17 9.646 -8.623 19.413 1.00 0.00 C ATOM 198 O ALA A 17 10.212 -7.996 20.307 1.00 0.00 O ATOM 199 CB ALA A 17 7.660 -7.254 18.610 1.00 0.00 C ATOM 0 H ALA A 17 7.276 -7.810 21.026 1.00 0.00 H new ATOM 0 HA ALA A 17 7.823 -9.375 18.608 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.125 -7.152 17.629 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.576 -7.270 18.498 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.948 -6.410 19.237 1.00 0.00 H new ATOM 205 N VAL A 18 10.264 -9.389 18.526 1.00 0.00 N ATOM 206 CA VAL A 18 11.709 -9.545 18.549 1.00 0.00 C ATOM 207 C VAL A 18 12.242 -9.535 17.115 1.00 0.00 C ATOM 208 O VAL A 18 11.932 -10.428 16.328 1.00 0.00 O ATOM 209 CB VAL A 18 12.086 -10.812 19.319 1.00 0.00 C ATOM 210 CG1 VAL A 18 11.383 -12.039 18.733 1.00 0.00 C ATOM 211 CG2 VAL A 18 13.603 -11.009 19.342 1.00 0.00 C ATOM 0 H VAL A 18 9.791 -9.908 17.787 1.00 0.00 H new ATOM 0 HA VAL A 18 12.175 -8.711 19.074 1.00 0.00 H new ATOM 0 HB VAL A 18 11.748 -10.691 20.348 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.668 -12.926 19.298 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.303 -11.902 18.792 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.676 -12.163 17.691 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.844 -11.917 19.896 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.974 -11.098 18.321 1.00 0.00 H new ATOM 0 HG23 VAL A 18 14.074 -10.153 19.826 1.00 0.00 H new ATOM 221 N LEU A 19 13.034 -8.516 16.819 1.00 0.00 N ATOM 222 CA LEU A 19 13.613 -8.378 15.493 1.00 0.00 C ATOM 223 C LEU A 19 14.767 -9.371 15.340 1.00 0.00 C ATOM 224 O LEU A 19 15.785 -9.256 16.021 1.00 0.00 O ATOM 225 CB LEU A 19 14.014 -6.925 15.232 1.00 0.00 C ATOM 226 CG LEU A 19 15.295 -6.448 15.919 1.00 0.00 C ATOM 227 CD1 LEU A 19 16.497 -6.561 14.979 1.00 0.00 C ATOM 228 CD2 LEU A 19 15.128 -5.030 16.468 1.00 0.00 C ATOM 0 H LEU A 19 13.289 -7.777 17.475 1.00 0.00 H new ATOM 0 HA LEU A 19 12.876 -8.623 14.728 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.130 -6.789 14.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.194 -6.280 15.549 1.00 0.00 H new ATOM 0 HG LEU A 19 15.489 -7.101 16.769 1.00 0.00 H new ATOM 0 HD11 LEU A 19 17.394 -6.215 15.493 1.00 0.00 H new ATOM 0 HD12 LEU A 19 16.628 -7.601 14.679 1.00 0.00 H new ATOM 0 HD13 LEU A 19 16.326 -5.947 14.094 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.053 -4.716 16.951 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.896 -4.348 15.650 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.316 -5.015 17.195 1.00 0.00 H new ATOM 240 N PRO A 20 14.564 -10.350 14.417 1.00 0.00 N ATOM 241 CA PRO A 20 15.575 -11.363 14.166 1.00 0.00 C ATOM 242 C PRO A 20 16.736 -10.788 13.352 1.00 0.00 C ATOM 243 O PRO A 20 16.547 -10.350 12.218 1.00 0.00 O ATOM 244 CB PRO A 20 14.841 -12.481 13.445 1.00 0.00 C ATOM 245 CG PRO A 20 13.561 -11.861 12.908 1.00 0.00 C ATOM 246 CD PRO A 20 13.371 -10.517 13.592 1.00 0.00 C ATOM 0 HA PRO A 20 16.036 -11.733 15.082 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.447 -12.888 12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.621 -13.305 14.124 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.623 -11.734 11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.710 -12.513 13.104 1.00 0.00 H new ATOM 0 HD2 PRO A 20 13.277 -9.712 12.864 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.465 -10.506 14.198 1.00 0.00 H new ATOM 254 N GLN A 21 17.912 -10.808 13.963 1.00 0.00 N ATOM 255 CA GLN A 21 19.104 -10.294 13.309 1.00 0.00 C ATOM 256 C GLN A 21 19.642 -11.317 12.306 1.00 0.00 C ATOM 257 O GLN A 21 20.536 -11.010 11.520 1.00 0.00 O ATOM 258 CB GLN A 21 20.173 -9.918 14.336 1.00 0.00 C ATOM 259 CG GLN A 21 20.593 -8.455 14.179 1.00 0.00 C ATOM 260 CD GLN A 21 21.936 -8.345 13.454 1.00 0.00 C ATOM 261 OE1 GLN A 21 22.982 -8.701 13.972 1.00 0.00 O ATOM 262 NE2 GLN A 21 21.849 -7.833 12.229 1.00 0.00 N ATOM 0 H GLN A 21 18.065 -11.172 14.904 1.00 0.00 H new ATOM 0 HA GLN A 21 18.835 -9.388 12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 21 19.790 -10.084 15.343 1.00 0.00 H new ATOM 0 HB3 GLN A 21 21.042 -10.565 14.215 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.830 -7.911 13.622 1.00 0.00 H new ATOM 0 HG3 GLN A 21 20.666 -7.987 15.160 1.00 0.00 H new ATOM 0 HE21 GLN A 21 20.941 -7.555 11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.690 -7.718 11.663 1.00 0.00 H new ATOM 271 N SER A 22 19.074 -12.513 12.367 1.00 0.00 N ATOM 272 CA SER A 22 19.486 -13.583 11.475 1.00 0.00 C ATOM 273 C SER A 22 18.842 -14.902 11.907 1.00 0.00 C ATOM 274 O SER A 22 19.343 -15.576 12.806 1.00 0.00 O ATOM 275 CB SER A 22 21.010 -13.721 11.446 1.00 0.00 C ATOM 276 OG SER A 22 21.528 -13.645 10.121 1.00 0.00 O ATOM 0 H SER A 22 18.332 -12.764 13.020 1.00 0.00 H new ATOM 0 HA SER A 22 19.152 -13.335 10.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.457 -12.935 12.055 1.00 0.00 H new ATOM 0 HB3 SER A 22 21.296 -14.673 11.893 1.00 0.00 H new ATOM 0 HG SER A 22 22.503 -13.736 10.145 1.00 0.00 H new ATOM 282 N GLN A 23 17.741 -15.231 11.247 1.00 0.00 N ATOM 283 CA GLN A 23 17.024 -16.457 11.551 1.00 0.00 C ATOM 284 C GLN A 23 16.621 -17.171 10.260 1.00 0.00 C ATOM 285 O GLN A 23 16.788 -18.384 10.138 1.00 0.00 O ATOM 286 CB GLN A 23 15.801 -16.173 12.426 1.00 0.00 C ATOM 287 CG GLN A 23 15.933 -16.853 13.790 1.00 0.00 C ATOM 288 CD GLN A 23 14.610 -17.497 14.212 1.00 0.00 C ATOM 289 OE1 GLN A 23 13.556 -17.229 13.660 1.00 0.00 O ATOM 290 NE2 GLN A 23 14.725 -18.359 15.218 1.00 0.00 N ATOM 0 H GLN A 23 17.328 -14.669 10.503 1.00 0.00 H new ATOM 0 HA GLN A 23 17.688 -17.114 12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 23 15.688 -15.097 12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 23 14.900 -16.527 11.925 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.714 -17.612 13.748 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.240 -16.121 14.537 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.639 -18.537 15.635 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.900 -18.842 15.573 1.00 0.00 H new ATOM 299 N GLY A 24 16.098 -16.388 9.327 1.00 0.00 N ATOM 300 CA GLY A 24 15.670 -16.931 8.049 1.00 0.00 C ATOM 301 C GLY A 24 14.746 -15.953 7.320 1.00 0.00 C ATOM 302 O GLY A 24 15.173 -15.259 6.398 1.00 0.00 O ATOM 0 H GLY A 24 15.961 -15.383 9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.542 -17.144 7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.152 -17.877 8.207 1.00 0.00 H new ATOM 306 N ARG A 25 13.496 -15.929 7.761 1.00 0.00 N ATOM 307 CA ARG A 25 12.508 -15.048 7.162 1.00 0.00 C ATOM 308 C ARG A 25 12.842 -13.588 7.473 1.00 0.00 C ATOM 309 O ARG A 25 13.703 -13.308 8.306 1.00 0.00 O ATOM 310 CB ARG A 25 11.103 -15.365 7.678 1.00 0.00 C ATOM 311 CG ARG A 25 10.473 -16.511 6.885 1.00 0.00 C ATOM 312 CD ARG A 25 9.490 -17.302 7.751 1.00 0.00 C ATOM 313 NE ARG A 25 8.155 -17.319 7.114 1.00 0.00 N ATOM 314 CZ ARG A 25 7.812 -18.136 6.109 1.00 0.00 C ATOM 315 NH1 ARG A 25 8.705 -19.008 5.620 1.00 0.00 N ATOM 316 NH2 ARG A 25 6.577 -18.082 5.592 1.00 0.00 N ATOM 0 H ARG A 25 13.145 -16.506 8.526 1.00 0.00 H new ATOM 0 HA ARG A 25 12.531 -15.207 6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.151 -15.632 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.475 -14.477 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.955 -16.113 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.254 -17.175 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.851 -18.322 7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.423 -16.854 8.742 1.00 0.00 H new ATOM 0 HE ARG A 25 7.451 -16.668 7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.645 -19.049 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.444 -19.630 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.897 -17.419 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.317 -18.704 4.827 1.00 0.00 H new ATOM 330 N VAL A 26 12.142 -12.695 6.788 1.00 0.00 N ATOM 331 CA VAL A 26 12.353 -11.271 6.981 1.00 0.00 C ATOM 332 C VAL A 26 11.161 -10.681 7.738 1.00 0.00 C ATOM 333 O VAL A 26 10.063 -11.233 7.701 1.00 0.00 O ATOM 334 CB VAL A 26 12.600 -10.591 5.632 1.00 0.00 C ATOM 335 CG1 VAL A 26 12.808 -9.085 5.808 1.00 0.00 C ATOM 336 CG2 VAL A 26 13.786 -11.228 4.907 1.00 0.00 C ATOM 0 H VAL A 26 11.428 -12.931 6.099 1.00 0.00 H new ATOM 0 HA VAL A 26 13.242 -11.095 7.587 1.00 0.00 H new ATOM 0 HB VAL A 26 11.713 -10.737 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 26 12.982 -8.625 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.920 -8.646 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.670 -8.910 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.940 -10.727 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.683 -11.128 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.582 -12.285 4.734 1.00 0.00 H new ATOM 346 N ALA A 27 11.419 -9.567 8.408 1.00 0.00 N ATOM 347 CA ALA A 27 10.381 -8.897 9.173 1.00 0.00 C ATOM 348 C ALA A 27 10.250 -7.452 8.688 1.00 0.00 C ATOM 349 O ALA A 27 11.232 -6.843 8.266 1.00 0.00 O ATOM 350 CB ALA A 27 10.709 -8.984 10.664 1.00 0.00 C ATOM 0 H ALA A 27 12.331 -9.112 8.437 1.00 0.00 H new ATOM 0 HA ALA A 27 9.418 -9.384 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.930 -8.481 11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.763 -10.030 10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.668 -8.502 10.854 1.00 0.00 H new ATOM 356 N ALA A 28 9.028 -6.944 8.764 1.00 0.00 N ATOM 357 CA ALA A 28 8.755 -5.582 8.338 1.00 0.00 C ATOM 358 C ALA A 28 9.911 -4.677 8.770 1.00 0.00 C ATOM 359 O ALA A 28 10.442 -4.823 9.869 1.00 0.00 O ATOM 360 CB ALA A 28 7.412 -5.127 8.913 1.00 0.00 C ATOM 0 H ALA A 28 8.216 -7.452 9.114 1.00 0.00 H new ATOM 0 HA ALA A 28 8.680 -5.526 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.207 -4.105 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.621 -5.785 8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.450 -5.166 10.002 1.00 0.00 H new ATOM 366 N SER A 29 10.266 -3.761 7.881 1.00 0.00 N ATOM 367 CA SER A 29 11.349 -2.832 8.155 1.00 0.00 C ATOM 368 C SER A 29 10.797 -1.412 8.296 1.00 0.00 C ATOM 369 O SER A 29 9.959 -0.986 7.502 1.00 0.00 O ATOM 370 CB SER A 29 12.410 -2.882 7.055 1.00 0.00 C ATOM 371 OG SER A 29 12.993 -4.177 6.935 1.00 0.00 O ATOM 0 H SER A 29 9.823 -3.642 6.970 1.00 0.00 H new ATOM 0 HA SER A 29 11.822 -3.126 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.960 -2.597 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.190 -2.152 7.270 1.00 0.00 H new ATOM 0 HG SER A 29 13.664 -4.169 6.221 1.00 0.00 H new ATOM 377 N GLU A 30 11.289 -0.718 9.312 1.00 0.00 N ATOM 378 CA GLU A 30 10.855 0.646 9.566 1.00 0.00 C ATOM 379 C GLU A 30 10.656 1.395 8.247 1.00 0.00 C ATOM 380 O GLU A 30 9.630 2.043 8.045 1.00 0.00 O ATOM 381 CB GLU A 30 11.851 1.378 10.468 1.00 0.00 C ATOM 382 CG GLU A 30 11.193 2.582 11.146 1.00 0.00 C ATOM 383 CD GLU A 30 12.009 3.855 10.915 1.00 0.00 C ATOM 384 OE1 GLU A 30 13.254 3.740 10.917 1.00 0.00 O ATOM 385 OE2 GLU A 30 11.370 4.915 10.741 1.00 0.00 O ATOM 0 H GLU A 30 11.983 -1.074 9.969 1.00 0.00 H new ATOM 0 HA GLU A 30 9.899 0.611 10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.233 0.693 11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.706 1.710 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.184 2.717 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.099 2.395 12.216 1.00 0.00 H new ATOM 392 N GLU A 31 11.654 1.280 7.382 1.00 0.00 N ATOM 393 CA GLU A 31 11.601 1.938 6.088 1.00 0.00 C ATOM 394 C GLU A 31 10.227 1.737 5.445 1.00 0.00 C ATOM 395 O GLU A 31 9.577 2.702 5.047 1.00 0.00 O ATOM 396 CB GLU A 31 12.715 1.432 5.170 1.00 0.00 C ATOM 397 CG GLU A 31 13.532 2.596 4.605 1.00 0.00 C ATOM 398 CD GLU A 31 14.035 2.280 3.195 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.553 1.156 3.016 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.890 3.169 2.328 1.00 0.00 O ATOM 0 H GLU A 31 12.503 0.741 7.552 1.00 0.00 H new ATOM 0 HA GLU A 31 11.756 3.006 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.369 0.759 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.283 0.855 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.920 3.498 4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.379 2.802 5.259 1.00 0.00 H new ATOM 407 N GLN A 32 9.826 0.477 5.365 1.00 0.00 N ATOM 408 CA GLN A 32 8.541 0.137 4.777 1.00 0.00 C ATOM 409 C GLN A 32 7.410 0.837 5.533 1.00 0.00 C ATOM 410 O GLN A 32 6.610 1.554 4.935 1.00 0.00 O ATOM 411 CB GLN A 32 8.331 -1.379 4.757 1.00 0.00 C ATOM 412 CG GLN A 32 9.463 -2.079 4.003 1.00 0.00 C ATOM 413 CD GLN A 32 9.516 -3.568 4.351 1.00 0.00 C ATOM 414 OE1 GLN A 32 9.186 -3.987 5.448 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.947 -4.341 3.358 1.00 0.00 N ATOM 0 H GLN A 32 10.368 -0.321 5.697 1.00 0.00 H new ATOM 0 HA GLN A 32 8.532 0.486 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.282 -1.756 5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.376 -1.611 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.319 -1.958 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.415 -1.610 4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.207 -3.925 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.017 -5.350 3.491 1.00 0.00 H new ATOM 424 N ILE A 33 7.380 0.604 6.837 1.00 0.00 N ATOM 425 CA ILE A 33 6.360 1.203 7.681 1.00 0.00 C ATOM 426 C ILE A 33 6.233 2.690 7.342 1.00 0.00 C ATOM 427 O ILE A 33 5.127 3.227 7.296 1.00 0.00 O ATOM 428 CB ILE A 33 6.659 0.932 9.157 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.501 -0.554 9.485 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.796 1.814 10.062 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.688 -1.063 10.306 1.00 0.00 C ATOM 0 H ILE A 33 8.046 0.009 7.330 1.00 0.00 H new ATOM 0 HA ILE A 33 5.389 0.747 7.488 1.00 0.00 H new ATOM 0 HB ILE A 33 7.699 1.195 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.576 -0.711 10.040 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.420 -1.127 8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.028 1.602 11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.002 2.863 9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.742 1.606 9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.551 -2.122 10.526 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.608 -0.926 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.751 -0.504 11.240 1.00 0.00 H new ATOM 443 N GLN A 34 7.380 3.312 7.114 1.00 0.00 N ATOM 444 CA GLN A 34 7.411 4.726 6.780 1.00 0.00 C ATOM 445 C GLN A 34 6.966 4.940 5.332 1.00 0.00 C ATOM 446 O GLN A 34 6.304 5.929 5.021 1.00 0.00 O ATOM 447 CB GLN A 34 8.802 5.316 7.020 1.00 0.00 C ATOM 448 CG GLN A 34 9.160 5.290 8.507 1.00 0.00 C ATOM 449 CD GLN A 34 8.423 6.395 9.268 1.00 0.00 C ATOM 450 OE1 GLN A 34 8.036 7.412 8.716 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.252 6.139 10.562 1.00 0.00 N ATOM 0 H GLN A 34 8.295 2.863 7.154 1.00 0.00 H new ATOM 0 HA GLN A 34 6.713 5.249 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.543 4.751 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.834 6.342 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.903 4.319 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.236 5.416 8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.601 5.267 10.960 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.772 6.815 11.156 1.00 0.00 H new ATOM 460 N LYS A 35 7.349 3.997 4.484 1.00 0.00 N ATOM 461 CA LYS A 35 6.999 4.069 3.076 1.00 0.00 C ATOM 462 C LYS A 35 5.480 3.952 2.926 1.00 0.00 C ATOM 463 O LYS A 35 4.909 4.448 1.956 1.00 0.00 O ATOM 464 CB LYS A 35 7.778 3.024 2.275 1.00 0.00 C ATOM 465 CG LYS A 35 8.831 3.688 1.386 1.00 0.00 C ATOM 466 CD LYS A 35 9.590 2.645 0.563 1.00 0.00 C ATOM 467 CE LYS A 35 10.717 2.013 1.383 1.00 0.00 C ATOM 468 NZ LYS A 35 11.904 1.770 0.533 1.00 0.00 N ATOM 0 H LYS A 35 7.899 3.178 4.745 1.00 0.00 H new ATOM 0 HA LYS A 35 7.288 5.035 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.261 2.324 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.090 2.445 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.350 4.403 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.532 4.250 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.901 1.870 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.004 3.112 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.984 2.669 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.375 1.074 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.116 0.752 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.712 2.101 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.720 2.286 0.920 1.00 0.00 H new ATOM 482 N LEU A 36 4.871 3.293 3.900 1.00 0.00 N ATOM 483 CA LEU A 36 3.430 3.105 3.889 1.00 0.00 C ATOM 484 C LEU A 36 2.772 4.184 4.750 1.00 0.00 C ATOM 485 O LEU A 36 1.853 4.867 4.300 1.00 0.00 O ATOM 486 CB LEU A 36 3.073 1.678 4.312 1.00 0.00 C ATOM 487 CG LEU A 36 3.586 0.560 3.402 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.165 -0.813 3.929 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.138 0.781 1.956 1.00 0.00 C ATOM 0 H LEU A 36 5.349 2.882 4.702 1.00 0.00 H new ATOM 0 HA LEU A 36 3.039 3.221 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.463 1.510 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.988 1.600 4.374 1.00 0.00 H new ATOM 0 HG LEU A 36 4.676 0.587 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.543 -1.590 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.575 -0.960 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.077 -0.869 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.516 -0.028 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.049 0.796 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.529 1.732 1.595 1.00 0.00 H new ATOM 501 N VAL A 37 3.268 4.305 5.972 1.00 0.00 N ATOM 502 CA VAL A 37 2.740 5.290 6.900 1.00 0.00 C ATOM 503 C VAL A 37 2.757 6.669 6.238 1.00 0.00 C ATOM 504 O VAL A 37 1.866 7.485 6.471 1.00 0.00 O ATOM 505 CB VAL A 37 3.526 5.248 8.213 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.235 6.484 9.066 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.228 3.963 8.988 1.00 0.00 C ATOM 0 H VAL A 37 4.030 3.737 6.341 1.00 0.00 H new ATOM 0 HA VAL A 37 1.704 5.061 7.150 1.00 0.00 H new ATOM 0 HB VAL A 37 4.588 5.253 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.806 6.429 9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.521 7.381 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.171 6.524 9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.799 3.958 9.917 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.163 3.914 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.510 3.100 8.384 1.00 0.00 H new ATOM 517 N ALA A 38 3.780 6.888 5.426 1.00 0.00 N ATOM 518 CA ALA A 38 3.925 8.154 4.728 1.00 0.00 C ATOM 519 C ALA A 38 2.782 8.312 3.724 1.00 0.00 C ATOM 520 O ALA A 38 2.356 9.428 3.432 1.00 0.00 O ATOM 521 CB ALA A 38 5.300 8.215 4.060 1.00 0.00 C ATOM 0 H ALA A 38 4.517 6.209 5.236 1.00 0.00 H new ATOM 0 HA ALA A 38 3.866 8.987 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.408 9.165 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.077 8.128 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.395 7.395 3.348 1.00 0.00 H new ATOM 527 N MET A 39 2.317 7.177 3.222 1.00 0.00 N ATOM 528 CA MET A 39 1.231 7.175 2.256 1.00 0.00 C ATOM 529 C MET A 39 -0.113 7.431 2.942 1.00 0.00 C ATOM 530 O MET A 39 -1.042 7.946 2.322 1.00 0.00 O ATOM 531 CB MET A 39 1.188 5.825 1.538 1.00 0.00 C ATOM 532 CG MET A 39 2.483 5.577 0.760 1.00 0.00 C ATOM 533 SD MET A 39 2.184 5.745 -0.991 1.00 0.00 S ATOM 534 CE MET A 39 2.285 4.033 -1.489 1.00 0.00 C ATOM 0 H MET A 39 2.672 6.253 3.466 1.00 0.00 H new ATOM 0 HA MET A 39 1.409 7.974 1.536 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.038 5.027 2.265 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.339 5.799 0.855 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.248 6.286 1.076 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.863 4.579 0.978 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.120 3.956 -2.564 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.272 3.640 -1.244 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.524 3.456 -0.963 1.00 0.00 H new ATOM 544 N GLY A 40 -0.173 7.060 4.212 1.00 0.00 N ATOM 545 CA GLY A 40 -1.387 7.243 4.989 1.00 0.00 C ATOM 546 C GLY A 40 -1.891 5.908 5.542 1.00 0.00 C ATOM 547 O GLY A 40 -3.077 5.598 5.440 1.00 0.00 O ATOM 0 H GLY A 40 0.600 6.633 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.196 7.932 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.157 7.696 4.365 1.00 0.00 H new ATOM 551 N PHE A 41 -0.965 5.154 6.115 1.00 0.00 N ATOM 552 CA PHE A 41 -1.300 3.860 6.683 1.00 0.00 C ATOM 553 C PHE A 41 -0.810 3.753 8.129 1.00 0.00 C ATOM 554 O PHE A 41 0.118 4.454 8.527 1.00 0.00 O ATOM 555 CB PHE A 41 -0.589 2.802 5.837 1.00 0.00 C ATOM 556 CG PHE A 41 -1.240 2.554 4.475 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.576 2.312 4.394 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.483 2.575 3.346 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.180 2.082 3.129 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.087 2.345 2.081 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.423 2.104 2.000 1.00 0.00 C ATOM 0 H PHE A 41 0.018 5.415 6.198 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.381 3.722 6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.445 3.109 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.564 1.864 6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.177 2.295 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.578 2.767 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.241 1.890 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.486 2.362 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.883 1.930 1.038 1.00 0.00 H new ATOM 571 N ASP A 42 -1.458 2.870 8.875 1.00 0.00 N ATOM 572 CA ASP A 42 -1.100 2.662 10.268 1.00 0.00 C ATOM 573 C ASP A 42 0.067 1.676 10.349 1.00 0.00 C ATOM 574 O ASP A 42 0.034 0.617 9.724 1.00 0.00 O ATOM 575 CB ASP A 42 -2.272 2.073 11.056 1.00 0.00 C ATOM 576 CG ASP A 42 -2.346 2.502 12.522 1.00 0.00 C ATOM 577 OD1 ASP A 42 -2.684 3.684 12.751 1.00 0.00 O ATOM 578 OD2 ASP A 42 -2.064 1.639 13.382 1.00 0.00 O ATOM 0 H ASP A 42 -2.228 2.291 8.541 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.828 3.628 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.201 2.357 10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.209 0.986 11.014 1.00 0.00 H new ATOM 583 N ARG A 43 1.071 2.059 11.124 1.00 0.00 N ATOM 584 CA ARG A 43 2.247 1.222 11.294 1.00 0.00 C ATOM 585 C ARG A 43 1.834 -0.238 11.494 1.00 0.00 C ATOM 586 O ARG A 43 2.414 -1.139 10.891 1.00 0.00 O ATOM 587 CB ARG A 43 3.079 1.678 12.494 1.00 0.00 C ATOM 588 CG ARG A 43 4.225 0.703 12.770 1.00 0.00 C ATOM 589 CD ARG A 43 5.295 1.350 13.651 1.00 0.00 C ATOM 590 NE ARG A 43 5.554 0.503 14.837 1.00 0.00 N ATOM 591 CZ ARG A 43 6.315 0.876 15.875 1.00 0.00 C ATOM 592 NH1 ARG A 43 6.898 2.082 15.878 1.00 0.00 N ATOM 593 NH2 ARG A 43 6.494 0.042 16.908 1.00 0.00 N ATOM 0 H ARG A 43 1.095 2.938 11.641 1.00 0.00 H new ATOM 0 HA ARG A 43 2.852 1.312 10.392 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.481 2.673 12.305 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.442 1.754 13.375 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.837 -0.190 13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.670 0.383 11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.215 1.484 13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.968 2.341 13.966 1.00 0.00 H new ATOM 0 HE ARG A 43 5.126 -0.423 14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.763 2.716 15.090 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.477 2.366 16.668 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.051 -0.877 16.904 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.073 0.326 17.698 1.00 0.00 H new ATOM 607 N THR A 44 0.835 -0.426 12.344 1.00 0.00 N ATOM 608 CA THR A 44 0.338 -1.761 12.631 1.00 0.00 C ATOM 609 C THR A 44 -0.117 -2.449 11.342 1.00 0.00 C ATOM 610 O THR A 44 0.322 -3.557 11.037 1.00 0.00 O ATOM 611 CB THR A 44 -0.771 -1.638 13.678 1.00 0.00 C ATOM 612 OG1 THR A 44 -0.119 -1.066 14.808 1.00 0.00 O ATOM 613 CG2 THR A 44 -1.258 -2.999 14.177 1.00 0.00 C ATOM 0 H THR A 44 0.356 0.324 12.843 1.00 0.00 H new ATOM 0 HA THR A 44 1.123 -2.396 13.042 1.00 0.00 H new ATOM 0 HB THR A 44 -1.610 -1.086 13.255 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.766 -0.950 15.535 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.044 -2.855 14.918 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.650 -3.575 13.339 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.427 -3.539 14.631 1.00 0.00 H new ATOM 621 N GLN A 45 -0.991 -1.764 10.620 1.00 0.00 N ATOM 622 CA GLN A 45 -1.511 -2.295 9.371 1.00 0.00 C ATOM 623 C GLN A 45 -0.360 -2.668 8.434 1.00 0.00 C ATOM 624 O GLN A 45 -0.436 -3.666 7.719 1.00 0.00 O ATOM 625 CB GLN A 45 -2.460 -1.298 8.704 1.00 0.00 C ATOM 626 CG GLN A 45 -3.662 -1.000 9.602 1.00 0.00 C ATOM 627 CD GLN A 45 -4.977 -1.238 8.856 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.654 -2.236 9.042 1.00 0.00 O ATOM 629 NE2 GLN A 45 -5.298 -0.270 8.003 1.00 0.00 N ATOM 0 H GLN A 45 -1.353 -0.845 10.876 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.082 -3.197 9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.926 -0.373 8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.804 -1.700 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.623 -1.632 10.489 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.617 0.034 9.945 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.686 0.539 7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.156 -0.336 7.456 1.00 0.00 H new ATOM 638 N VAL A 46 0.679 -1.847 8.468 1.00 0.00 N ATOM 639 CA VAL A 46 1.843 -2.079 7.631 1.00 0.00 C ATOM 640 C VAL A 46 2.527 -3.377 8.063 1.00 0.00 C ATOM 641 O VAL A 46 2.883 -4.204 7.225 1.00 0.00 O ATOM 642 CB VAL A 46 2.775 -0.866 7.684 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.973 -1.054 6.751 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.019 0.422 7.352 1.00 0.00 C ATOM 0 H VAL A 46 0.739 -1.020 9.062 1.00 0.00 H new ATOM 0 HA VAL A 46 1.546 -2.200 6.589 1.00 0.00 H new ATOM 0 HB VAL A 46 3.153 -0.779 8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.619 -0.178 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.534 -1.939 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.621 -1.179 5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.705 1.268 7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.598 0.349 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.215 0.568 8.073 1.00 0.00 H new ATOM 654 N GLU A 47 2.689 -3.516 9.371 1.00 0.00 N ATOM 655 CA GLU A 47 3.324 -4.701 9.924 1.00 0.00 C ATOM 656 C GLU A 47 2.476 -5.941 9.634 1.00 0.00 C ATOM 657 O GLU A 47 2.903 -6.831 8.900 1.00 0.00 O ATOM 658 CB GLU A 47 3.567 -4.541 11.426 1.00 0.00 C ATOM 659 CG GLU A 47 4.683 -3.530 11.697 1.00 0.00 C ATOM 660 CD GLU A 47 5.434 -3.874 12.984 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.989 -4.993 13.036 1.00 0.00 O ATOM 662 OE2 GLU A 47 5.436 -3.010 13.888 1.00 0.00 O ATOM 0 H GLU A 47 2.392 -2.828 10.063 1.00 0.00 H new ATOM 0 HA GLU A 47 4.294 -4.828 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.649 -4.214 11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.832 -5.505 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.379 -3.518 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.260 -2.528 11.775 1.00 0.00 H new ATOM 669 N VAL A 48 1.291 -5.961 10.227 1.00 0.00 N ATOM 670 CA VAL A 48 0.381 -7.078 10.041 1.00 0.00 C ATOM 671 C VAL A 48 0.412 -7.519 8.577 1.00 0.00 C ATOM 672 O VAL A 48 0.638 -8.691 8.283 1.00 0.00 O ATOM 673 CB VAL A 48 -1.021 -6.694 10.520 1.00 0.00 C ATOM 674 CG1 VAL A 48 -1.725 -5.802 9.496 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.855 -7.940 10.828 1.00 0.00 C ATOM 0 H VAL A 48 0.941 -5.222 10.836 1.00 0.00 H new ATOM 0 HA VAL A 48 0.695 -7.931 10.643 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.916 -6.124 11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.719 -5.544 9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.145 -4.891 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.813 -6.335 8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.847 -7.640 11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.947 -8.548 9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.366 -8.521 11.609 1.00 0.00 H new ATOM 685 N ALA A 49 0.183 -6.555 7.697 1.00 0.00 N ATOM 686 CA ALA A 49 0.182 -6.829 6.270 1.00 0.00 C ATOM 687 C ALA A 49 1.529 -7.436 5.871 1.00 0.00 C ATOM 688 O ALA A 49 1.591 -8.581 5.426 1.00 0.00 O ATOM 689 CB ALA A 49 -0.128 -5.542 5.503 1.00 0.00 C ATOM 0 H ALA A 49 -0.003 -5.583 7.945 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.593 -7.553 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.129 -5.748 4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.107 -5.168 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.631 -4.793 5.728 1.00 0.00 H new ATOM 695 N LEU A 50 2.575 -6.641 6.045 1.00 0.00 N ATOM 696 CA LEU A 50 3.917 -7.085 5.709 1.00 0.00 C ATOM 697 C LEU A 50 4.085 -8.547 6.127 1.00 0.00 C ATOM 698 O LEU A 50 4.846 -9.289 5.508 1.00 0.00 O ATOM 699 CB LEU A 50 4.960 -6.146 6.318 1.00 0.00 C ATOM 700 CG LEU A 50 5.325 -4.917 5.485 1.00 0.00 C ATOM 701 CD1 LEU A 50 6.107 -3.900 6.319 1.00 0.00 C ATOM 702 CD2 LEU A 50 6.081 -5.319 4.216 1.00 0.00 C ATOM 0 H LEU A 50 2.520 -5.692 6.414 1.00 0.00 H new ATOM 0 HA LEU A 50 4.075 -7.042 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.593 -5.807 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.870 -6.717 6.504 1.00 0.00 H new ATOM 0 HG LEU A 50 4.401 -4.432 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.354 -3.036 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.500 -3.580 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.026 -4.359 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.329 -4.426 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.998 -5.841 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.455 -5.977 3.613 1.00 0.00 H new ATOM 714 N ALA A 51 3.362 -8.916 7.174 1.00 0.00 N ATOM 715 CA ALA A 51 3.422 -10.276 7.682 1.00 0.00 C ATOM 716 C ALA A 51 2.810 -11.228 6.652 1.00 0.00 C ATOM 717 O ALA A 51 3.464 -12.170 6.206 1.00 0.00 O ATOM 718 CB ALA A 51 2.713 -10.348 9.036 1.00 0.00 C ATOM 0 H ALA A 51 2.732 -8.297 7.684 1.00 0.00 H new ATOM 0 HA ALA A 51 4.456 -10.581 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.758 -11.368 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.204 -9.676 9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.671 -10.051 8.917 1.00 0.00 H new ATOM 724 N ALA A 52 1.562 -10.950 6.305 1.00 0.00 N ATOM 725 CA ALA A 52 0.854 -11.770 5.337 1.00 0.00 C ATOM 726 C ALA A 52 1.352 -11.433 3.930 1.00 0.00 C ATOM 727 O ALA A 52 0.968 -12.085 2.959 1.00 0.00 O ATOM 728 CB ALA A 52 -0.653 -11.555 5.489 1.00 0.00 C ATOM 0 H ALA A 52 1.023 -10.168 6.677 1.00 0.00 H new ATOM 0 HA ALA A 52 1.051 -12.828 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.183 -12.170 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.961 -11.836 6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.890 -10.505 5.317 1.00 0.00 H new ATOM 734 N ALA A 53 2.199 -10.416 3.863 1.00 0.00 N ATOM 735 CA ALA A 53 2.753 -9.985 2.591 1.00 0.00 C ATOM 736 C ALA A 53 4.115 -10.649 2.382 1.00 0.00 C ATOM 737 O ALA A 53 4.874 -10.253 1.499 1.00 0.00 O ATOM 738 CB ALA A 53 2.837 -8.458 2.562 1.00 0.00 C ATOM 0 H ALA A 53 2.515 -9.878 4.670 1.00 0.00 H new ATOM 0 HA ALA A 53 2.108 -10.291 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.253 -8.135 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.839 -8.036 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.479 -8.113 3.373 1.00 0.00 H new ATOM 744 N ASP A 54 4.385 -11.647 3.211 1.00 0.00 N ATOM 745 CA ASP A 54 5.643 -12.369 3.128 1.00 0.00 C ATOM 746 C ASP A 54 6.797 -11.368 3.057 1.00 0.00 C ATOM 747 O ASP A 54 7.726 -11.540 2.269 1.00 0.00 O ATOM 748 CB ASP A 54 5.696 -13.241 1.872 1.00 0.00 C ATOM 749 CG ASP A 54 6.393 -14.592 2.051 1.00 0.00 C ATOM 750 OD1 ASP A 54 6.257 -15.158 3.156 1.00 0.00 O ATOM 751 OD2 ASP A 54 7.046 -15.027 1.078 1.00 0.00 O ATOM 0 H ASP A 54 3.754 -11.972 3.943 1.00 0.00 H new ATOM 0 HA ASP A 54 5.727 -13.003 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.677 -13.418 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.207 -12.687 1.085 1.00 0.00 H new ATOM 756 N ASP A 55 6.701 -10.342 3.890 1.00 0.00 N ATOM 757 CA ASP A 55 7.726 -9.313 3.932 1.00 0.00 C ATOM 758 C ASP A 55 7.823 -8.640 2.561 1.00 0.00 C ATOM 759 O ASP A 55 8.919 -8.340 2.090 1.00 0.00 O ATOM 760 CB ASP A 55 9.094 -9.911 4.263 1.00 0.00 C ATOM 761 CG ASP A 55 10.253 -8.912 4.265 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.220 -8.006 5.124 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.146 -9.078 3.406 1.00 0.00 O ATOM 0 H ASP A 55 5.929 -10.201 4.541 1.00 0.00 H new ATOM 0 HA ASP A 55 7.451 -8.594 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.040 -10.383 5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.314 -10.698 3.542 1.00 0.00 H new ATOM 768 N ASP A 56 6.662 -8.423 1.961 1.00 0.00 N ATOM 769 CA ASP A 56 6.603 -7.792 0.653 1.00 0.00 C ATOM 770 C ASP A 56 5.829 -6.476 0.762 1.00 0.00 C ATOM 771 O ASP A 56 4.757 -6.430 1.364 1.00 0.00 O ATOM 772 CB ASP A 56 5.879 -8.684 -0.357 1.00 0.00 C ATOM 773 CG ASP A 56 6.138 -8.340 -1.825 1.00 0.00 C ATOM 774 OD1 ASP A 56 6.103 -7.131 -2.140 1.00 0.00 O ATOM 775 OD2 ASP A 56 6.364 -9.295 -2.600 1.00 0.00 O ATOM 0 H ASP A 56 5.755 -8.673 2.356 1.00 0.00 H new ATOM 0 HA ASP A 56 7.625 -7.621 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.176 -9.718 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.807 -8.624 -0.169 1.00 0.00 H new ATOM 780 N LEU A 57 6.403 -5.439 0.170 1.00 0.00 N ATOM 781 CA LEU A 57 5.780 -4.126 0.193 1.00 0.00 C ATOM 782 C LEU A 57 4.662 -4.078 -0.850 1.00 0.00 C ATOM 783 O LEU A 57 3.501 -3.857 -0.511 1.00 0.00 O ATOM 784 CB LEU A 57 6.834 -3.031 0.016 1.00 0.00 C ATOM 785 CG LEU A 57 6.407 -1.618 0.421 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.367 -1.660 1.542 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.620 -0.765 0.795 1.00 0.00 C ATOM 0 H LEU A 57 7.292 -5.481 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 57 5.319 -3.940 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.714 -3.304 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.137 -3.012 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 57 5.934 -1.144 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.081 -0.643 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.487 -2.207 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.791 -2.160 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.289 0.234 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.144 -1.225 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.293 -0.695 -0.060 1.00 0.00 H new ATOM 799 N THR A 58 5.051 -4.290 -2.099 1.00 0.00 N ATOM 800 CA THR A 58 4.096 -4.274 -3.193 1.00 0.00 C ATOM 801 C THR A 58 2.796 -4.963 -2.777 1.00 0.00 C ATOM 802 O THR A 58 1.709 -4.431 -2.995 1.00 0.00 O ATOM 803 CB THR A 58 4.762 -4.918 -4.411 1.00 0.00 C ATOM 804 OG1 THR A 58 5.604 -3.892 -4.930 1.00 0.00 O ATOM 805 CG2 THR A 58 3.770 -5.193 -5.543 1.00 0.00 C ATOM 0 H THR A 58 6.015 -4.474 -2.377 1.00 0.00 H new ATOM 0 HA THR A 58 3.816 -3.255 -3.458 1.00 0.00 H new ATOM 0 HB THR A 58 5.240 -5.851 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.076 -4.225 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.294 -5.650 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.992 -5.870 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.316 -4.256 -5.865 1.00 0.00 H new ATOM 813 N VAL A 59 2.950 -6.138 -2.183 1.00 0.00 N ATOM 814 CA VAL A 59 1.801 -6.906 -1.734 1.00 0.00 C ATOM 815 C VAL A 59 1.155 -6.198 -0.541 1.00 0.00 C ATOM 816 O VAL A 59 -0.041 -5.913 -0.558 1.00 0.00 O ATOM 817 CB VAL A 59 2.222 -8.343 -1.420 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.008 -9.207 -1.075 1.00 0.00 C ATOM 819 CG2 VAL A 59 3.015 -8.948 -2.580 1.00 0.00 C ATOM 0 H VAL A 59 3.853 -6.577 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 59 1.050 -6.967 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 59 2.874 -8.318 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.335 -10.223 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.503 -8.793 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.320 -9.222 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.302 -9.970 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.398 -8.953 -3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.911 -8.353 -2.758 1.00 0.00 H new ATOM 829 N ALA A 60 1.975 -5.935 0.465 1.00 0.00 N ATOM 830 CA ALA A 60 1.499 -5.266 1.664 1.00 0.00 C ATOM 831 C ALA A 60 0.584 -4.106 1.266 1.00 0.00 C ATOM 832 O ALA A 60 -0.566 -4.041 1.697 1.00 0.00 O ATOM 833 CB ALA A 60 2.694 -4.806 2.501 1.00 0.00 C ATOM 0 H ALA A 60 2.967 -6.173 0.475 1.00 0.00 H new ATOM 0 HA ALA A 60 0.915 -5.950 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.337 -4.304 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.295 -5.670 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.303 -4.115 1.917 1.00 0.00 H new ATOM 839 N VAL A 61 1.130 -3.218 0.448 1.00 0.00 N ATOM 840 CA VAL A 61 0.378 -2.064 -0.013 1.00 0.00 C ATOM 841 C VAL A 61 -1.057 -2.489 -0.330 1.00 0.00 C ATOM 842 O VAL A 61 -2.010 -1.886 0.161 1.00 0.00 O ATOM 843 CB VAL A 61 1.087 -1.419 -1.206 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.221 -0.325 -1.833 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.455 -0.868 -0.797 1.00 0.00 C ATOM 0 H VAL A 61 2.084 -3.275 0.093 1.00 0.00 H new ATOM 0 HA VAL A 61 0.328 -1.305 0.768 1.00 0.00 H new ATOM 0 HB VAL A 61 1.247 -2.191 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.748 0.117 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.719 -0.757 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.015 0.446 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.938 -0.415 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.326 -0.116 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.076 -1.680 -0.418 1.00 0.00 H new ATOM 855 N GLU A 62 -1.166 -3.524 -1.150 1.00 0.00 N ATOM 856 CA GLU A 62 -2.469 -4.037 -1.538 1.00 0.00 C ATOM 857 C GLU A 62 -3.306 -4.356 -0.297 1.00 0.00 C ATOM 858 O GLU A 62 -4.497 -4.052 -0.253 1.00 0.00 O ATOM 859 CB GLU A 62 -2.328 -5.269 -2.435 1.00 0.00 C ATOM 860 CG GLU A 62 -1.622 -4.915 -3.745 1.00 0.00 C ATOM 861 CD GLU A 62 -2.533 -4.087 -4.654 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.702 -4.501 -4.814 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.041 -3.059 -5.167 1.00 0.00 O ATOM 0 H GLU A 62 -0.373 -4.021 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.984 -3.267 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.765 -6.042 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.314 -5.682 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.711 -4.356 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.323 -5.828 -4.259 1.00 0.00 H new ATOM 870 N ILE A 63 -2.649 -4.963 0.680 1.00 0.00 N ATOM 871 CA ILE A 63 -3.317 -5.326 1.918 1.00 0.00 C ATOM 872 C ILE A 63 -3.754 -4.054 2.648 1.00 0.00 C ATOM 873 O ILE A 63 -4.898 -3.949 3.089 1.00 0.00 O ATOM 874 CB ILE A 63 -2.427 -6.243 2.759 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.357 -7.646 2.153 1.00 0.00 C ATOM 876 CG2 ILE A 63 -2.890 -6.270 4.217 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.118 -8.395 2.646 1.00 0.00 C ATOM 0 H ILE A 63 -1.661 -5.213 0.639 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.219 -5.901 1.710 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.415 -5.838 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.254 -8.206 2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.335 -7.576 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.240 -6.929 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.845 -5.263 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.915 -6.637 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.093 -9.389 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.222 -7.845 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.155 -8.485 3.732 1.00 0.00 H new ATOM 889 N LEU A 64 -2.820 -3.120 2.754 1.00 0.00 N ATOM 890 CA LEU A 64 -3.094 -1.860 3.423 1.00 0.00 C ATOM 891 C LEU A 64 -4.288 -1.180 2.751 1.00 0.00 C ATOM 892 O LEU A 64 -5.198 -0.703 3.428 1.00 0.00 O ATOM 893 CB LEU A 64 -1.836 -0.991 3.467 1.00 0.00 C ATOM 894 CG LEU A 64 -0.760 -1.418 4.467 1.00 0.00 C ATOM 895 CD1 LEU A 64 -0.898 -0.649 5.782 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.783 -2.933 4.684 1.00 0.00 C ATOM 0 H LEU A 64 -1.872 -3.211 2.388 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.369 -2.034 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.393 -0.977 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.133 0.032 3.698 1.00 0.00 H new ATOM 0 HG LEU A 64 0.215 -1.167 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.121 -0.971 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.794 0.419 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.878 -0.846 6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.008 -3.210 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.758 -3.230 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.600 -3.439 3.736 1.00 0.00 H new ATOM 908 N MET A 65 -4.247 -1.156 1.427 1.00 0.00 N ATOM 909 CA MET A 65 -5.314 -0.542 0.655 1.00 0.00 C ATOM 910 C MET A 65 -6.666 -1.176 0.988 1.00 0.00 C ATOM 911 O MET A 65 -7.659 -0.472 1.166 1.00 0.00 O ATOM 912 CB MET A 65 -5.025 -0.709 -0.838 1.00 0.00 C ATOM 913 CG MET A 65 -4.145 0.430 -1.357 1.00 0.00 C ATOM 914 SD MET A 65 -5.087 1.481 -2.449 1.00 0.00 S ATOM 915 CE MET A 65 -3.775 2.489 -3.118 1.00 0.00 C ATOM 0 H MET A 65 -3.491 -1.552 0.869 1.00 0.00 H new ATOM 0 HA MET A 65 -5.358 0.517 0.909 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.529 -1.664 -1.011 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.963 -0.731 -1.393 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.760 1.013 -0.520 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.283 0.023 -1.885 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.192 3.206 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.278 3.024 -2.309 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.053 1.853 -3.630 1.00 0.00 H new ATOM 925 N SER A 66 -6.661 -2.499 1.063 1.00 0.00 N ATOM 926 CA SER A 66 -7.875 -3.236 1.371 1.00 0.00 C ATOM 927 C SER A 66 -7.715 -3.973 2.702 1.00 0.00 C ATOM 928 O SER A 66 -7.985 -5.170 2.788 1.00 0.00 O ATOM 929 CB SER A 66 -8.218 -4.224 0.254 1.00 0.00 C ATOM 930 OG SER A 66 -8.537 -3.560 -0.966 1.00 0.00 O ATOM 0 H SER A 66 -5.835 -3.080 0.916 1.00 0.00 H new ATOM 0 HA SER A 66 -8.696 -2.524 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.375 -4.895 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.062 -4.841 0.562 1.00 0.00 H new ATOM 0 HG SER A 66 -8.748 -4.225 -1.655 1.00 0.00 H new ATOM 936 N GLN A 67 -7.277 -3.228 3.706 1.00 0.00 N ATOM 937 CA GLN A 67 -7.078 -3.797 5.028 1.00 0.00 C ATOM 938 C GLN A 67 -8.421 -4.206 5.638 1.00 0.00 C ATOM 939 O GLN A 67 -8.641 -5.380 5.931 1.00 0.00 O ATOM 940 CB GLN A 67 -6.338 -2.817 5.941 1.00 0.00 C ATOM 941 CG GLN A 67 -4.932 -3.325 6.265 1.00 0.00 C ATOM 942 CD GLN A 67 -4.988 -4.551 7.179 1.00 0.00 C ATOM 943 OE1 GLN A 67 -6.040 -5.105 7.452 1.00 0.00 O ATOM 944 NE2 GLN A 67 -3.802 -4.941 7.635 1.00 0.00 N ATOM 0 H GLN A 67 -7.054 -2.235 3.631 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.459 -4.689 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.274 -1.842 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.901 -2.679 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.412 -3.579 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.358 -2.534 6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.960 -4.432 7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.734 -5.750 8.253 1.00 0.00 H new ATOM 953 N SER A 68 -9.283 -3.215 5.810 1.00 0.00 N ATOM 954 CA SER A 68 -10.598 -3.457 6.379 1.00 0.00 C ATOM 955 C SER A 68 -11.682 -2.949 5.426 1.00 0.00 C ATOM 956 O SER A 68 -12.688 -3.622 5.210 1.00 0.00 O ATOM 957 CB SER A 68 -10.737 -2.786 7.747 1.00 0.00 C ATOM 958 OG SER A 68 -9.875 -1.660 7.881 1.00 0.00 O ATOM 0 H SER A 68 -9.097 -2.242 5.565 1.00 0.00 H new ATOM 0 HA SER A 68 -10.719 -4.531 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.770 -2.471 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.512 -3.510 8.530 1.00 0.00 H new ATOM 0 HG SER A 68 -9.996 -1.259 8.767 1.00 0.00 H new ATOM 964 N GLY A 69 -11.439 -1.766 4.881 1.00 0.00 N ATOM 965 CA GLY A 69 -12.382 -1.161 3.956 1.00 0.00 C ATOM 966 C GLY A 69 -11.688 -0.750 2.656 1.00 0.00 C ATOM 967 O GLY A 69 -10.576 -1.194 2.374 1.00 0.00 O ATOM 0 H GLY A 69 -10.603 -1.211 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.185 -1.865 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.842 -0.288 4.419 1.00 0.00 H new ATOM 971 N PRO A 70 -12.391 0.117 1.878 1.00 0.00 N ATOM 972 CA PRO A 70 -11.854 0.593 0.614 1.00 0.00 C ATOM 973 C PRO A 70 -10.757 1.634 0.842 1.00 0.00 C ATOM 974 O PRO A 70 -10.896 2.787 0.438 1.00 0.00 O ATOM 975 CB PRO A 70 -13.052 1.147 -0.138 1.00 0.00 C ATOM 976 CG PRO A 70 -14.128 1.386 0.909 1.00 0.00 C ATOM 977 CD PRO A 70 -13.710 0.664 2.180 1.00 0.00 C ATOM 0 HA PRO A 70 -11.370 -0.196 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.796 2.073 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.395 0.444 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -14.247 2.453 1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.091 1.015 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -13.671 1.347 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.416 -0.125 2.438 1.00 0.00 H new ATOM 985 N SER A 71 -9.689 1.190 1.490 1.00 0.00 N ATOM 986 CA SER A 71 -8.568 2.069 1.776 1.00 0.00 C ATOM 987 C SER A 71 -9.008 3.185 2.727 1.00 0.00 C ATOM 988 O SER A 71 -10.203 3.407 2.919 1.00 0.00 O ATOM 989 CB SER A 71 -7.992 2.664 0.490 1.00 0.00 C ATOM 990 OG SER A 71 -7.489 1.659 -0.385 1.00 0.00 O ATOM 0 H SER A 71 -9.577 0.233 1.825 1.00 0.00 H new ATOM 0 HA SER A 71 -7.785 1.480 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.765 3.237 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.192 3.361 0.740 1.00 0.00 H new ATOM 0 HG SER A 71 -7.740 0.774 -0.046 1.00 0.00 H new ATOM 996 N SER A 72 -8.019 3.857 3.297 1.00 0.00 N ATOM 997 CA SER A 72 -8.289 4.944 4.223 1.00 0.00 C ATOM 998 C SER A 72 -6.983 5.646 4.600 1.00 0.00 C ATOM 999 O SER A 72 -5.953 4.997 4.775 1.00 0.00 O ATOM 1000 CB SER A 72 -9.000 4.435 5.478 1.00 0.00 C ATOM 1001 OG SER A 72 -9.301 5.490 6.386 1.00 0.00 O ATOM 0 H SER A 72 -7.029 3.670 3.136 1.00 0.00 H new ATOM 0 HA SER A 72 -8.949 5.658 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.922 3.929 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.372 3.696 5.976 1.00 0.00 H new ATOM 0 HG SER A 72 -9.756 5.124 7.173 1.00 0.00 H new ATOM 1007 N GLY A 73 -7.068 6.963 4.715 1.00 0.00 N ATOM 1008 CA GLY A 73 -5.906 7.761 5.069 1.00 0.00 C ATOM 1009 C GLY A 73 -6.315 9.183 5.456 1.00 0.00 C ATOM 1010 O GLY A 73 -7.484 9.549 5.347 1.00 0.00 O ATOM 0 H GLY A 73 -7.924 7.498 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.378 7.292 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.213 7.794 4.228 1.00 0.00 H new TER 1014 GLY A 73