USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 972 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 113 THR OG1 : rot 180:sc= 0.375 USER MOD Set 1.2: A 118 THR OG1 : rot -66:sc= 0.396 USER MOD Set 2.1: A 99 GLN : amide:sc= 0.0767 K(o=0.34,f=-2.4!) USER MOD Set 2.2: A 101 SER OG : rot 163:sc= 0.259 USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 112 SER OG : rot 103:sc= 1.48 USER MOD Set 4.1: A 84 GLN : amide:sc= 0.243 K(o=2.7,f=-4.6!) USER MOD Set 4.2: A 93 ASN : amide:sc= 1.23 K(o=2.7,f=-1.6) USER MOD Set 4.3: A 98 HIS : no HE2:sc= 1.19 K(o=2.7,f=-6.3!) USER MOD Set 5.1: A 42 GLN : amide:sc= -2.06! C(o=-2.2!,f=-4.1!) USER MOD Set 5.2: A 85 MET CE :methyl -154:sc= -0.107 (180deg=-0.564) USER MOD Set 6.1: A 53 TYR OH : rot -117:sc= 1.31 USER MOD Set 6.2: A 57 HIS : no HE2:sc= 1.38 K(o=2.7,f=-3.8!) USER MOD Set 7.1: A 51 GLN : amide:sc= 0.921 K(o=2.1,f=-4.8!) USER MOD Set 7.2: A 61 ASN : amide:sc= 1.2 K(o=2.1,f=-4.8) USER MOD Set 8.1: A 50 SER OG : rot 22:sc= 0.535 USER MOD Set 8.2: A 52 HIS : no HD1:sc= 0.327! C(o=2.1!,f=-7!) USER MOD Set 8.3: A 58 THR OG1 : rot -75:sc= 1.26 USER MOD Set 9.1: A 8 MET CE :methyl -123:sc= -0.571 (180deg=-3.96!) USER MOD Set 9.2: A 119 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 1 ALA N :NH3+ 152:sc= 0.0524 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.457 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -80:sc= -0.0235 USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00969) USER MOD Single : A 13 ASN : amide:sc= 0.358 K(o=0.36,f=-0.98) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 178:sc= -0.247 (180deg=-0.259) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.113 (180deg=-0.547) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.06) USER MOD Single : A 33 ASN : amide:sc= 0.876 K(o=0.88,f=-0.0024) USER MOD Single : A 35 LYS NZ :NH3+ -116:sc= 1.88 (180deg=1.53) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.19) USER MOD Single : A 45 GLN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : A 48 THR OG1 : rot 14:sc= -0.989 USER MOD Single : A 59 MET CE :methyl -112:sc= -0.271 (180deg=-0.403) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00724 USER MOD Single : A 70 ASN : amide:sc= 1.29 K(o=1.3,f=-0.078) USER MOD Single : A 72 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 89 LYS NZ :NH3+ -123:sc= 0.94 (180deg=-2.05!) USER MOD Single : A 96 ASN : amide:sc= 0.18 K(o=0.18,f=-3.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000775) USER MOD Single : A 123 SER OG : rot 54:sc= -0.0577 USER MOD Single : A 124 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.725 10.981 12.430 1.00 0.66 N ATOM 2 CA ALA A 1 -24.602 11.445 13.825 1.00 0.48 C ATOM 3 C ALA A 1 -23.888 12.785 13.815 1.00 0.53 C ATOM 4 O ALA A 1 -22.909 12.907 13.087 1.00 1.01 O ATOM 5 CB ALA A 1 -23.896 10.423 14.722 1.00 0.50 C ATOM 0 H1 ALA A 1 -24.754 9.942 12.411 1.00 0.66 H new ATOM 0 H2 ALA A 1 -25.600 11.359 12.014 1.00 0.66 H new ATOM 0 H3 ALA A 1 -23.908 11.315 11.880 1.00 0.66 H new ATOM 0 HA ALA A 1 -25.597 11.561 14.255 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -23.831 10.814 15.738 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -24.461 9.491 14.727 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -22.892 10.236 14.341 1.00 0.50 H new ATOM 13 N PHE A 2 -24.465 13.810 14.447 1.00 0.29 N ATOM 14 CA PHE A 2 -24.118 15.219 14.186 1.00 0.26 C ATOM 15 C PHE A 2 -23.776 16.094 15.407 1.00 0.27 C ATOM 16 O PHE A 2 -23.689 17.317 15.331 1.00 0.36 O ATOM 17 CB PHE A 2 -25.241 15.845 13.380 1.00 0.26 C ATOM 18 CG PHE A 2 -25.501 15.303 11.987 1.00 0.25 C ATOM 19 CD1 PHE A 2 -24.750 15.776 10.897 1.00 0.27 C ATOM 20 CD2 PHE A 2 -26.656 14.536 11.751 1.00 0.24 C ATOM 21 CE1 PHE A 2 -25.165 15.490 9.584 1.00 0.27 C ATOM 22 CE2 PHE A 2 -27.036 14.207 10.441 1.00 0.25 C ATOM 23 CZ PHE A 2 -26.295 14.692 9.354 1.00 0.25 C ATOM 0 H PHE A 2 -25.188 13.691 15.157 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.176 15.188 13.638 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -26.162 15.745 13.955 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -25.035 16.912 13.291 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -23.856 16.358 11.067 1.00 0.27 H new ATOM 0 HD2 PHE A 2 -27.255 14.198 12.584 1.00 0.24 H new ATOM 0 HE1 PHE A 2 -24.610 15.888 8.747 1.00 0.27 H new ATOM 0 HE2 PHE A 2 -27.899 13.580 10.270 1.00 0.25 H new ATOM 0 HZ PHE A 2 -26.593 14.452 8.344 1.00 0.25 H new ATOM 33 N THR A 3 -23.648 15.435 16.552 1.00 0.23 N ATOM 34 CA THR A 3 -23.183 15.951 17.841 1.00 0.22 C ATOM 35 C THR A 3 -22.090 17.016 17.713 1.00 0.23 C ATOM 36 O THR A 3 -21.004 16.761 17.196 1.00 0.27 O ATOM 37 CB THR A 3 -22.723 14.795 18.743 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.721 13.799 18.766 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.415 15.202 20.181 1.00 0.27 C ATOM 0 H THR A 3 -23.885 14.445 16.612 1.00 0.23 H new ATOM 0 HA THR A 3 -24.034 16.452 18.302 1.00 0.22 H new ATOM 0 HB THR A 3 -21.790 14.433 18.312 1.00 0.26 H new ATOM 0 HG1 THR A 3 -23.431 13.059 19.339 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.098 14.326 20.747 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.618 15.945 20.186 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.309 15.626 20.639 1.00 0.27 H new ATOM 47 N GLY A 4 -22.342 18.169 18.330 1.00 0.22 N ATOM 48 CA GLY A 4 -21.272 19.157 18.657 1.00 0.25 C ATOM 49 C GLY A 4 -21.732 20.590 18.749 1.00 0.26 C ATOM 50 O GLY A 4 -22.884 20.841 19.063 1.00 0.46 O ATOM 0 H GLY A 4 -23.276 18.458 18.621 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.817 18.876 19.607 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.492 19.090 17.898 1.00 0.25 H new ATOM 54 N LYS A 5 -20.820 21.553 18.432 1.00 0.24 N ATOM 55 CA LYS A 5 -21.104 22.917 18.578 1.00 0.23 C ATOM 56 C LYS A 5 -20.680 23.636 17.252 1.00 0.20 C ATOM 57 O LYS A 5 -19.493 23.573 16.855 1.00 0.22 O ATOM 58 CB LYS A 5 -20.304 23.496 19.787 1.00 0.30 C ATOM 59 CG LYS A 5 -21.042 24.508 20.659 1.00 0.36 C ATOM 60 CD LYS A 5 -21.180 25.978 20.079 1.00 0.38 C ATOM 61 CE LYS A 5 -19.850 26.721 20.069 1.00 0.41 C ATOM 62 NZ LYS A 5 -19.529 27.350 21.356 1.00 0.73 N ATOM 0 H LYS A 5 -19.886 21.355 18.074 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.166 23.072 18.768 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -19.988 22.666 20.418 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.399 23.968 19.405 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -22.043 24.123 20.854 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -20.530 24.567 21.620 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -21.575 25.931 19.064 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -21.901 26.536 20.676 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -19.054 26.025 19.804 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -19.875 27.487 19.294 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -18.614 27.839 21.285 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -20.270 28.037 21.601 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.475 26.620 22.095 1.00 0.73 H new ATOM 76 N PHE A 6 -21.509 24.539 16.757 1.00 0.22 N ATOM 77 CA PHE A 6 -21.317 25.050 15.404 1.00 0.25 C ATOM 78 C PHE A 6 -21.929 26.449 15.317 1.00 0.23 C ATOM 79 O PHE A 6 -22.992 26.704 15.870 1.00 0.27 O ATOM 80 CB PHE A 6 -22.046 24.088 14.465 1.00 0.43 C ATOM 81 CG PHE A 6 -21.776 22.606 14.664 1.00 0.28 C ATOM 82 CD1 PHE A 6 -20.699 21.999 14.002 1.00 0.30 C ATOM 83 CD2 PHE A 6 -22.589 21.835 15.516 1.00 0.24 C ATOM 84 CE1 PHE A 6 -20.435 20.628 14.176 1.00 0.23 C ATOM 85 CE2 PHE A 6 -22.332 20.461 15.678 1.00 0.26 C ATOM 86 CZ PHE A 6 -21.256 19.857 15.012 1.00 0.24 C ATOM 0 H PHE A 6 -22.308 24.929 17.257 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.263 25.118 15.136 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.118 24.256 14.571 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -21.782 24.348 13.440 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -20.067 22.588 13.354 1.00 0.30 H new ATOM 0 HD2 PHE A 6 -23.409 22.298 16.045 1.00 0.24 H new ATOM 0 HE1 PHE A 6 -19.601 20.170 13.666 1.00 0.23 H new ATOM 0 HE2 PHE A 6 -22.967 19.868 16.319 1.00 0.26 H new ATOM 0 HZ PHE A 6 -21.060 18.803 15.142 1.00 0.24 H new ATOM 96 N GLU A 7 -21.239 27.379 14.668 1.00 0.25 N ATOM 97 CA GLU A 7 -21.686 28.779 14.623 1.00 0.32 C ATOM 98 C GLU A 7 -21.963 29.138 13.177 1.00 0.32 C ATOM 99 O GLU A 7 -21.216 28.968 12.282 1.00 0.37 O ATOM 100 CB GLU A 7 -20.519 29.696 15.078 1.00 0.44 C ATOM 101 CG GLU A 7 -20.844 31.176 14.879 1.00 1.10 C ATOM 102 CD GLU A 7 -19.845 32.163 15.319 1.00 1.18 C ATOM 103 OE1 GLU A 7 -18.918 31.739 15.992 1.00 1.10 O ATOM 104 OE2 GLU A 7 -19.930 33.376 14.900 1.00 1.98 O ATOM 0 H GLU A 7 -20.370 27.197 14.165 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.564 28.904 15.257 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -20.301 29.511 16.130 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -19.619 29.444 14.517 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -21.030 31.338 13.817 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -21.777 31.387 15.402 1.00 1.10 H new ATOM 111 N MET A 8 -23.109 29.724 12.924 1.00 0.37 N ATOM 112 CA MET A 8 -23.595 30.231 11.649 1.00 0.35 C ATOM 113 C MET A 8 -22.754 31.285 11.067 1.00 0.42 C ATOM 114 O MET A 8 -22.408 32.248 11.734 1.00 0.67 O ATOM 115 CB MET A 8 -25.137 30.585 11.625 1.00 0.39 C ATOM 116 CG MET A 8 -25.867 30.648 10.230 1.00 0.51 C ATOM 117 SD MET A 8 -27.630 31.162 10.351 1.00 0.97 S ATOM 118 CE MET A 8 -28.101 31.235 8.625 1.00 0.35 C ATOM 0 H MET A 8 -23.791 29.875 13.668 1.00 0.37 H new ATOM 0 HA MET A 8 -23.497 29.376 10.980 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.657 29.850 12.239 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.264 31.553 12.111 1.00 0.39 H new ATOM 0 HG2 MET A 8 -25.336 31.345 9.582 1.00 0.51 H new ATOM 0 HG3 MET A 8 -25.814 29.668 9.756 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.475 32.232 8.392 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.234 31.017 8.002 1.00 0.35 H new ATOM 0 HE3 MET A 8 -28.882 30.500 8.430 1.00 0.35 H new ATOM 128 N GLU A 9 -22.532 31.293 9.762 1.00 0.45 N ATOM 129 CA GLU A 9 -22.236 32.497 8.977 1.00 0.55 C ATOM 130 C GLU A 9 -22.841 32.261 7.569 1.00 0.57 C ATOM 131 O GLU A 9 -22.127 31.944 6.591 1.00 1.27 O ATOM 132 CB GLU A 9 -20.766 32.728 8.733 1.00 1.10 C ATOM 133 CG GLU A 9 -20.143 33.606 9.911 1.00 1.63 C ATOM 134 CD GLU A 9 -18.706 33.902 9.613 1.00 2.20 C ATOM 135 OE1 GLU A 9 -17.756 33.055 9.890 1.00 2.75 O ATOM 136 OE2 GLU A 9 -18.531 35.042 9.213 1.00 2.52 O ATOM 0 H GLU A 9 -22.552 30.443 9.198 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.633 33.347 9.532 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.246 31.772 8.668 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.624 33.234 7.778 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -20.701 34.536 10.019 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -20.226 33.073 10.858 1.00 1.63 H new ATOM 143 N SER A 10 -24.161 32.362 7.352 1.00 0.59 N ATOM 144 CA SER A 10 -24.699 32.181 5.983 1.00 0.94 C ATOM 145 C SER A 10 -26.083 32.783 5.777 1.00 0.68 C ATOM 146 O SER A 10 -26.771 33.067 6.751 1.00 1.26 O ATOM 147 CB SER A 10 -24.742 30.696 5.649 1.00 1.86 C ATOM 148 OG SER A 10 -24.858 30.503 4.255 1.00 2.52 O ATOM 0 H SER A 10 -24.857 32.560 8.071 1.00 0.59 H new ATOM 0 HA SER A 10 -24.026 32.718 5.315 1.00 0.94 H new ATOM 0 HB2 SER A 10 -23.838 30.209 6.015 1.00 1.86 H new ATOM 0 HB3 SER A 10 -25.585 30.228 6.158 1.00 1.86 H new ATOM 0 HG SER A 10 -25.792 30.625 3.984 1.00 2.52 H new ATOM 154 N GLU A 11 -26.472 33.038 4.524 1.00 0.49 N ATOM 155 CA GLU A 11 -27.548 33.893 4.155 1.00 0.37 C ATOM 156 C GLU A 11 -27.778 33.523 2.645 1.00 0.30 C ATOM 157 O GLU A 11 -27.302 34.235 1.734 1.00 0.40 O ATOM 158 CB GLU A 11 -27.052 35.397 4.178 1.00 0.77 C ATOM 159 CG GLU A 11 -26.976 36.041 5.591 1.00 0.96 C ATOM 160 CD GLU A 11 -26.361 37.380 5.668 1.00 1.37 C ATOM 161 OE1 GLU A 11 -26.956 38.284 4.983 1.00 1.92 O ATOM 162 OE2 GLU A 11 -25.357 37.598 6.357 1.00 1.76 O ATOM 0 H GLU A 11 -26.007 32.622 3.717 1.00 0.49 H new ATOM 0 HA GLU A 11 -28.418 33.786 4.803 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -26.064 35.445 3.719 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -27.721 35.994 3.558 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -27.987 36.106 5.992 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -26.417 35.370 6.243 1.00 0.96 H new ATOM 169 N LYS A 12 -28.490 32.424 2.338 1.00 0.24 N ATOM 170 CA LYS A 12 -28.902 32.197 1.006 1.00 0.23 C ATOM 171 C LYS A 12 -30.404 32.150 0.916 1.00 0.18 C ATOM 172 O LYS A 12 -30.991 31.134 1.288 1.00 0.19 O ATOM 173 CB LYS A 12 -28.328 30.821 0.425 1.00 0.32 C ATOM 174 CG LYS A 12 -28.442 30.550 -1.053 1.00 0.41 C ATOM 175 CD LYS A 12 -27.443 31.255 -1.984 1.00 0.53 C ATOM 176 CE LYS A 12 -27.579 30.841 -3.471 1.00 1.24 C ATOM 177 NZ LYS A 12 -26.851 29.536 -3.585 1.00 1.90 N ATOM 0 H LYS A 12 -28.772 31.708 3.007 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.508 33.025 0.417 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.272 30.767 0.689 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.830 30.007 0.949 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -28.343 29.475 -1.206 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.448 30.826 -1.369 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -27.582 32.333 -1.902 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -26.430 31.038 -1.647 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -28.626 30.734 -3.756 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -27.145 31.593 -4.130 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -26.858 29.220 -4.576 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -25.868 29.658 -3.267 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -27.321 28.823 -2.991 1.00 1.90 H new ATOM 191 N ASN A 13 -30.991 33.197 0.326 1.00 0.18 N ATOM 192 CA ASN A 13 -32.436 33.350 0.137 1.00 0.16 C ATOM 193 C ASN A 13 -33.225 33.336 1.468 1.00 0.17 C ATOM 194 O ASN A 13 -34.212 32.626 1.602 1.00 0.19 O ATOM 195 CB ASN A 13 -32.913 32.315 -0.903 1.00 0.16 C ATOM 196 CG ASN A 13 -34.357 32.520 -1.303 1.00 0.18 C ATOM 197 OD1 ASN A 13 -34.843 33.632 -1.370 1.00 0.24 O ATOM 198 ND2 ASN A 13 -35.003 31.485 -1.782 1.00 0.18 N ATOM 0 H ASN A 13 -30.457 33.984 -0.044 1.00 0.18 H new ATOM 0 HA ASN A 13 -32.647 34.342 -0.262 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.281 32.377 -1.789 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -32.791 31.312 -0.495 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -35.919 31.610 -2.214 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -34.590 30.554 -1.723 1.00 0.18 H new ATOM 205 N TYR A 14 -32.703 33.976 2.523 1.00 0.20 N ATOM 206 CA TYR A 14 -33.295 33.853 3.863 1.00 0.22 C ATOM 207 C TYR A 14 -34.660 34.538 4.013 1.00 0.21 C ATOM 208 O TYR A 14 -35.558 33.994 4.642 1.00 0.24 O ATOM 209 CB TYR A 14 -32.321 34.347 4.945 1.00 0.29 C ATOM 210 CG TYR A 14 -31.868 35.793 4.814 1.00 0.81 C ATOM 211 CD1 TYR A 14 -32.633 36.814 5.410 1.00 1.38 C ATOM 212 CD2 TYR A 14 -30.681 36.114 4.129 1.00 1.82 C ATOM 213 CE1 TYR A 14 -32.211 38.154 5.323 1.00 1.79 C ATOM 214 CE2 TYR A 14 -30.233 37.451 4.082 1.00 2.29 C ATOM 215 CZ TYR A 14 -30.995 38.472 4.688 1.00 1.96 C ATOM 216 OH TYR A 14 -30.527 39.749 4.703 1.00 2.54 O ATOM 0 H TYR A 14 -31.881 34.578 2.477 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.479 32.787 4.001 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.794 34.221 5.919 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.439 33.707 4.934 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -33.545 36.569 5.935 1.00 1.38 H new ATOM 0 HD2 TYR A 14 -30.113 35.337 3.639 1.00 1.82 H new ATOM 0 HE1 TYR A 14 -32.821 38.940 5.744 1.00 1.79 H new ATOM 0 HE2 TYR A 14 -29.307 37.693 3.582 1.00 2.29 H new ATOM 0 HH TYR A 14 -29.676 39.791 4.219 1.00 2.54 H new ATOM 226 N ASP A 15 -34.811 35.745 3.471 1.00 0.21 N ATOM 227 CA ASP A 15 -35.923 36.612 3.812 1.00 0.25 C ATOM 228 C ASP A 15 -37.385 36.055 3.464 1.00 0.22 C ATOM 229 O ASP A 15 -38.382 36.063 4.200 1.00 0.29 O ATOM 230 CB ASP A 15 -35.664 37.953 3.006 1.00 0.32 C ATOM 231 CG ASP A 15 -36.593 39.110 3.497 1.00 0.88 C ATOM 232 OD1 ASP A 15 -36.187 39.721 4.456 1.00 0.74 O ATOM 233 OD2 ASP A 15 -37.659 39.444 2.896 1.00 1.67 O ATOM 0 H ASP A 15 -34.167 36.142 2.787 1.00 0.21 H new ATOM 0 HA ASP A 15 -35.943 36.724 4.896 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -34.621 38.250 3.119 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -35.832 37.777 1.943 1.00 0.32 H new ATOM 238 N GLU A 16 -37.517 35.534 2.280 1.00 0.18 N ATOM 239 CA GLU A 16 -38.729 34.944 1.740 1.00 0.21 C ATOM 240 C GLU A 16 -39.003 33.621 2.301 1.00 0.20 C ATOM 241 O GLU A 16 -40.084 33.242 2.694 1.00 0.25 O ATOM 242 CB GLU A 16 -38.715 34.782 0.181 1.00 0.26 C ATOM 243 CG GLU A 16 -38.546 36.126 -0.567 1.00 0.30 C ATOM 244 CD GLU A 16 -38.621 35.986 -2.087 1.00 0.64 C ATOM 245 OE1 GLU A 16 -39.691 35.497 -2.502 1.00 0.77 O ATOM 246 OE2 GLU A 16 -37.722 36.536 -2.778 1.00 1.00 O ATOM 0 H GLU A 16 -36.742 35.503 1.618 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.505 35.655 2.023 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.904 34.111 -0.101 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -39.644 34.310 -0.138 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -39.319 36.819 -0.234 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -37.586 36.566 -0.297 1.00 0.30 H new ATOM 253 N PHE A 17 -37.936 32.837 2.425 1.00 0.16 N ATOM 254 CA PHE A 17 -37.997 31.445 2.830 1.00 0.15 C ATOM 255 C PHE A 17 -38.381 31.368 4.316 1.00 0.16 C ATOM 256 O PHE A 17 -39.334 30.686 4.690 1.00 0.17 O ATOM 257 CB PHE A 17 -36.594 30.902 2.588 1.00 0.16 C ATOM 258 CG PHE A 17 -36.539 29.408 2.639 1.00 0.16 C ATOM 259 CD1 PHE A 17 -36.463 28.742 3.874 1.00 0.20 C ATOM 260 CD2 PHE A 17 -36.563 28.690 1.433 1.00 0.16 C ATOM 261 CE1 PHE A 17 -36.431 27.341 3.896 1.00 0.22 C ATOM 262 CE2 PHE A 17 -36.467 27.298 1.466 1.00 0.19 C ATOM 263 CZ PHE A 17 -36.419 26.628 2.689 1.00 0.18 C ATOM 0 H PHE A 17 -36.987 33.163 2.242 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.740 30.869 2.279 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -36.240 31.242 1.615 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.915 31.313 3.336 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -36.430 29.303 4.796 1.00 0.20 H new ATOM 0 HD2 PHE A 17 -36.655 29.209 0.490 1.00 0.16 H new ATOM 0 HE1 PHE A 17 -36.416 26.813 4.838 1.00 0.22 H new ATOM 0 HE2 PHE A 17 -36.430 26.738 0.543 1.00 0.19 H new ATOM 0 HZ PHE A 17 -36.372 25.549 2.706 1.00 0.18 H new ATOM 273 N MET A 18 -37.752 32.190 5.151 1.00 0.18 N ATOM 274 CA MET A 18 -38.113 32.319 6.554 1.00 0.19 C ATOM 275 C MET A 18 -39.489 32.970 6.714 1.00 0.20 C ATOM 276 O MET A 18 -40.287 32.414 7.476 1.00 0.22 O ATOM 277 CB MET A 18 -37.021 33.051 7.352 1.00 0.20 C ATOM 278 CG MET A 18 -35.657 32.345 7.319 1.00 0.39 C ATOM 279 SD MET A 18 -35.646 30.627 7.875 1.00 1.06 S ATOM 280 CE MET A 18 -34.188 30.038 6.977 1.00 0.36 C ATOM 0 H MET A 18 -36.974 32.787 4.869 1.00 0.18 H new ATOM 0 HA MET A 18 -38.186 31.316 6.975 1.00 0.19 H new ATOM 0 HB2 MET A 18 -36.908 34.060 6.956 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.345 33.150 8.388 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.276 32.379 6.298 1.00 0.39 H new ATOM 0 HG3 MET A 18 -34.961 32.912 7.938 1.00 0.39 H new ATOM 0 HE1 MET A 18 -34.003 28.994 7.228 1.00 0.36 H new ATOM 0 HE2 MET A 18 -34.360 30.128 5.904 1.00 0.36 H new ATOM 0 HE3 MET A 18 -33.322 30.637 7.257 1.00 0.36 H new ATOM 290 N LYS A 19 -39.890 33.965 5.890 1.00 0.20 N ATOM 291 CA LYS A 19 -41.257 34.369 5.952 1.00 0.23 C ATOM 292 C LYS A 19 -42.344 33.270 5.573 1.00 0.23 C ATOM 293 O LYS A 19 -43.304 33.141 6.351 1.00 0.29 O ATOM 294 CB LYS A 19 -41.574 35.559 4.979 1.00 0.25 C ATOM 295 CG LYS A 19 -41.134 36.914 5.448 1.00 0.32 C ATOM 296 CD LYS A 19 -41.779 37.445 6.706 1.00 0.87 C ATOM 297 CE LYS A 19 -43.282 37.765 6.478 1.00 1.40 C ATOM 298 NZ LYS A 19 -43.441 38.782 5.420 1.00 1.82 N ATOM 0 H LYS A 19 -39.303 34.461 5.220 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.343 34.622 7.009 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -41.101 35.355 4.018 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.650 35.586 4.805 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -40.056 36.885 5.606 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -41.319 37.627 4.645 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -41.678 36.712 7.506 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -41.259 38.346 7.032 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -43.815 36.856 6.199 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -43.728 38.124 7.405 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -44.383 39.217 5.495 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -42.712 39.515 5.531 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -43.341 38.332 4.488 1.00 1.82 H new ATOM 312 N LEU A 20 -42.091 32.507 4.499 1.00 0.20 N ATOM 313 CA LEU A 20 -43.038 31.531 3.950 1.00 0.20 C ATOM 314 C LEU A 20 -43.422 30.453 4.960 1.00 0.21 C ATOM 315 O LEU A 20 -44.553 29.969 4.944 1.00 0.25 O ATOM 316 CB LEU A 20 -42.325 30.821 2.729 1.00 0.19 C ATOM 317 CG LEU A 20 -42.387 31.592 1.392 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.434 31.017 0.383 1.00 0.21 C ATOM 319 CD2 LEU A 20 -43.837 31.706 0.975 1.00 0.27 C ATOM 0 H LEU A 20 -41.212 32.553 3.983 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.948 32.058 3.665 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.279 30.655 2.986 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -42.777 29.840 2.585 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.027 32.616 1.496 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -41.503 31.583 -0.546 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.416 31.076 0.769 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -41.690 29.975 0.193 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -43.903 32.248 0.032 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.259 30.709 0.851 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.395 32.243 1.742 1.00 0.27 H new ATOM 331 N LEU A 21 -42.442 29.947 5.716 1.00 0.19 N ATOM 332 CA LEU A 21 -42.664 28.797 6.591 1.00 0.20 C ATOM 333 C LEU A 21 -43.179 29.165 7.984 1.00 0.23 C ATOM 334 O LEU A 21 -43.591 28.253 8.705 1.00 0.25 O ATOM 335 CB LEU A 21 -41.439 27.865 6.596 1.00 0.22 C ATOM 336 CG LEU A 21 -41.725 26.376 6.894 1.00 0.40 C ATOM 337 CD1 LEU A 21 -42.885 25.779 6.080 1.00 1.20 C ATOM 338 CD2 LEU A 21 -40.510 25.542 6.488 1.00 0.80 C ATOM 0 H LEU A 21 -41.491 30.316 5.738 1.00 0.19 H new ATOM 0 HA LEU A 21 -43.490 28.227 6.165 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -40.951 27.934 5.624 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.729 28.234 7.336 1.00 0.22 H new ATOM 0 HG LEU A 21 -41.968 26.344 7.956 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -43.018 24.732 6.350 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -43.801 26.329 6.295 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -42.659 25.853 5.016 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -40.705 24.490 6.696 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -40.319 25.672 5.423 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -39.639 25.868 7.056 1.00 0.80 H new ATOM 350 N GLY A 22 -43.380 30.459 8.296 1.00 0.30 N ATOM 351 CA GLY A 22 -44.266 30.817 9.404 1.00 0.36 C ATOM 352 C GLY A 22 -43.796 31.961 10.280 1.00 0.36 C ATOM 353 O GLY A 22 -44.467 32.234 11.272 1.00 0.40 O ATOM 0 H GLY A 22 -42.953 31.248 7.810 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -45.243 31.075 8.995 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.406 29.937 10.032 1.00 0.36 H new ATOM 357 N ILE A 23 -42.540 32.461 10.061 1.00 0.34 N ATOM 358 CA ILE A 23 -42.138 33.518 10.985 1.00 0.34 C ATOM 359 C ILE A 23 -42.232 34.880 10.305 1.00 0.33 C ATOM 360 O ILE A 23 -42.140 34.897 9.078 1.00 0.31 O ATOM 361 CB ILE A 23 -40.726 33.372 11.595 1.00 0.30 C ATOM 362 CG1 ILE A 23 -39.852 32.523 10.742 1.00 0.30 C ATOM 363 CG2 ILE A 23 -40.923 32.828 13.004 1.00 0.35 C ATOM 364 CD1 ILE A 23 -38.448 32.332 11.352 1.00 0.38 C ATOM 0 H ILE A 23 -41.875 32.180 9.340 1.00 0.34 H new ATOM 0 HA ILE A 23 -42.839 33.427 11.815 1.00 0.34 H new ATOM 0 HB ILE A 23 -40.204 34.327 11.645 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -40.320 31.549 10.601 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -39.759 32.977 9.756 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -39.953 32.704 13.485 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -41.528 33.526 13.582 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -41.429 31.864 12.954 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -37.847 31.705 10.693 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -37.966 33.303 11.468 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.537 31.853 12.327 1.00 0.38 H new ATOM 376 N SER A 24 -42.514 35.966 11.039 1.00 0.36 N ATOM 377 CA SER A 24 -42.682 37.307 10.446 1.00 0.37 C ATOM 378 C SER A 24 -41.517 38.248 10.769 1.00 0.35 C ATOM 379 O SER A 24 -40.757 38.598 9.874 1.00 0.33 O ATOM 380 CB SER A 24 -44.048 37.903 10.794 1.00 0.43 C ATOM 381 OG SER A 24 -44.252 39.094 10.056 1.00 0.71 O ATOM 0 H SER A 24 -42.632 35.944 12.052 1.00 0.36 H new ATOM 0 HA SER A 24 -42.658 37.184 9.363 1.00 0.37 H new ATOM 0 HB2 SER A 24 -44.837 37.185 10.569 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.103 38.112 11.862 1.00 0.43 H new ATOM 0 HG SER A 24 -45.128 39.472 10.280 1.00 0.71 H new ATOM 387 N SER A 25 -41.289 38.563 12.052 1.00 0.37 N ATOM 388 CA SER A 25 -40.166 39.305 12.508 1.00 0.37 C ATOM 389 C SER A 25 -39.161 38.475 13.272 1.00 0.36 C ATOM 390 O SER A 25 -37.959 38.661 13.248 1.00 0.37 O ATOM 391 CB SER A 25 -40.620 40.443 13.348 1.00 0.42 C ATOM 392 OG SER A 25 -40.952 41.634 12.544 1.00 1.04 O ATOM 0 H SER A 25 -41.919 38.286 12.805 1.00 0.37 H new ATOM 0 HA SER A 25 -39.654 39.668 11.617 1.00 0.37 H new ATOM 0 HB2 SER A 25 -41.495 40.141 13.924 1.00 0.42 H new ATOM 0 HB3 SER A 25 -39.839 40.697 14.065 1.00 0.42 H new ATOM 0 HG SER A 25 -41.247 42.357 13.136 1.00 1.04 H new ATOM 398 N ASP A 26 -39.690 37.540 14.092 1.00 0.40 N ATOM 399 CA ASP A 26 -39.011 37.033 15.306 1.00 0.44 C ATOM 400 C ASP A 26 -37.588 36.549 15.083 1.00 0.40 C ATOM 401 O ASP A 26 -36.681 37.282 15.435 1.00 0.43 O ATOM 402 CB ASP A 26 -39.886 36.081 16.151 1.00 0.49 C ATOM 403 CG ASP A 26 -39.219 35.368 17.360 1.00 0.85 C ATOM 404 OD1 ASP A 26 -37.971 35.299 17.484 1.00 1.29 O ATOM 405 OD2 ASP A 26 -39.993 34.945 18.240 1.00 0.94 O ATOM 0 H ASP A 26 -40.603 37.114 13.930 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.879 37.916 15.931 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.736 36.651 16.525 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -40.284 35.314 15.487 1.00 0.49 H new ATOM 410 N VAL A 27 -37.397 35.460 14.332 1.00 0.36 N ATOM 411 CA VAL A 27 -36.051 34.963 14.015 1.00 0.35 C ATOM 412 C VAL A 27 -35.389 35.605 12.794 1.00 0.31 C ATOM 413 O VAL A 27 -34.171 35.676 12.767 1.00 0.31 O ATOM 414 CB VAL A 27 -35.932 33.419 14.026 1.00 0.37 C ATOM 415 CG1 VAL A 27 -34.503 32.961 14.354 1.00 0.46 C ATOM 416 CG2 VAL A 27 -36.876 32.764 15.045 1.00 0.58 C ATOM 0 H VAL A 27 -38.154 34.906 13.932 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.455 35.314 14.858 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.208 33.104 13.020 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -34.461 31.872 14.352 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -33.815 33.352 13.605 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -34.218 33.333 15.338 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -36.753 31.682 15.012 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -36.639 33.126 16.046 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -37.907 33.019 14.802 1.00 0.58 H new ATOM 426 N ILE A 28 -36.135 36.232 11.873 1.00 0.28 N ATOM 427 CA ILE A 28 -35.581 36.745 10.604 1.00 0.26 C ATOM 428 C ILE A 28 -34.586 37.890 10.843 1.00 0.27 C ATOM 429 O ILE A 28 -33.488 37.872 10.295 1.00 0.27 O ATOM 430 CB ILE A 28 -36.687 37.140 9.591 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.814 36.077 9.562 1.00 0.26 C ATOM 432 CG2 ILE A 28 -36.036 37.326 8.203 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.766 36.157 8.365 1.00 0.26 C ATOM 0 H ILE A 28 -37.135 36.399 11.982 1.00 0.28 H new ATOM 0 HA ILE A 28 -35.027 35.924 10.149 1.00 0.26 H new ATOM 0 HB ILE A 28 -37.153 38.078 9.893 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.357 35.088 9.575 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.400 36.169 10.477 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.800 37.604 7.477 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -35.283 38.112 8.257 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.565 36.393 7.894 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.515 35.369 8.443 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -39.260 37.128 8.357 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -38.201 36.030 7.442 1.00 0.26 H new ATOM 445 N GLU A 29 -34.875 38.820 11.759 1.00 0.30 N ATOM 446 CA GLU A 29 -34.000 39.904 12.106 1.00 0.32 C ATOM 447 C GLU A 29 -32.838 39.441 12.982 1.00 0.32 C ATOM 448 O GLU A 29 -31.747 39.970 12.992 1.00 0.36 O ATOM 449 CB GLU A 29 -34.739 41.122 12.678 1.00 0.38 C ATOM 450 CG GLU A 29 -35.297 40.963 14.176 1.00 0.79 C ATOM 451 CD GLU A 29 -34.910 42.077 15.101 1.00 1.14 C ATOM 452 OE1 GLU A 29 -35.381 43.222 14.909 1.00 1.29 O ATOM 453 OE2 GLU A 29 -34.063 41.858 16.023 1.00 1.48 O ATOM 0 H GLU A 29 -35.750 38.825 12.283 1.00 0.30 H new ATOM 0 HA GLU A 29 -33.562 40.255 11.172 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.065 41.978 12.651 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -35.577 41.356 12.021 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -36.384 40.897 14.141 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -34.934 40.022 14.588 1.00 0.79 H new ATOM 460 N LYS A 30 -33.034 38.378 13.770 1.00 0.33 N ATOM 461 CA LYS A 30 -31.963 37.779 14.589 1.00 0.37 C ATOM 462 C LYS A 30 -30.980 37.037 13.688 1.00 0.33 C ATOM 463 O LYS A 30 -29.769 37.216 13.811 1.00 0.37 O ATOM 464 CB LYS A 30 -32.555 36.846 15.662 1.00 0.45 C ATOM 465 CG LYS A 30 -33.674 37.502 16.480 1.00 0.52 C ATOM 466 CD LYS A 30 -33.292 38.753 17.280 1.00 0.76 C ATOM 467 CE LYS A 30 -34.572 39.304 17.928 1.00 0.88 C ATOM 468 NZ LYS A 30 -34.404 40.704 18.381 1.00 1.19 N ATOM 0 H LYS A 30 -33.934 37.907 13.861 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.424 38.572 15.108 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.944 35.949 15.180 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.760 36.527 16.336 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.484 37.766 15.800 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -34.069 36.760 17.174 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -32.553 38.508 18.042 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -32.841 39.501 16.628 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -35.393 39.250 17.213 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -34.847 38.678 18.777 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -35.160 40.944 19.054 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -33.480 40.810 18.846 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -34.454 41.342 17.562 1.00 1.19 H new ATOM 482 N ALA A 31 -31.508 36.323 12.700 1.00 0.30 N ATOM 483 CA ALA A 31 -30.717 35.558 11.754 1.00 0.31 C ATOM 484 C ALA A 31 -30.024 36.388 10.750 1.00 0.32 C ATOM 485 O ALA A 31 -28.853 36.173 10.533 1.00 0.40 O ATOM 486 CB ALA A 31 -31.596 34.623 10.999 1.00 0.34 C ATOM 0 H ALA A 31 -32.513 36.261 12.535 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.970 35.040 12.355 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -30.996 34.052 10.291 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -32.084 33.940 11.695 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.353 35.192 10.458 1.00 0.34 H new ATOM 492 N ARG A 32 -30.665 37.360 10.102 1.00 0.28 N ATOM 493 CA ARG A 32 -30.044 38.186 9.099 1.00 0.31 C ATOM 494 C ARG A 32 -28.841 38.991 9.611 1.00 0.35 C ATOM 495 O ARG A 32 -27.877 39.117 8.859 1.00 0.43 O ATOM 496 CB ARG A 32 -31.114 39.013 8.420 1.00 0.35 C ATOM 497 CG ARG A 32 -31.581 40.287 9.147 1.00 0.34 C ATOM 498 CD ARG A 32 -32.940 40.880 8.639 1.00 0.45 C ATOM 499 NE ARG A 32 -32.668 41.558 7.340 1.00 1.13 N ATOM 500 CZ ARG A 32 -33.586 41.497 6.370 1.00 1.47 C ATOM 501 NH1 ARG A 32 -34.775 40.953 6.539 1.00 1.06 N ATOM 502 NH2 ARG A 32 -33.271 42.015 5.196 1.00 2.40 N ATOM 0 H ARG A 32 -31.644 37.589 10.271 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.585 37.543 8.348 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.745 39.301 7.435 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.984 38.376 8.261 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -31.673 40.067 10.211 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -30.809 41.049 9.045 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -33.681 40.090 8.513 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.346 41.586 9.363 1.00 0.45 H new ATOM 0 HE ARG A 32 -31.793 42.062 7.193 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -35.029 40.554 7.442 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -35.440 40.931 5.766 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -32.355 42.441 5.056 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -33.944 41.989 4.430 1.00 2.40 H new ATOM 516 N ASN A 33 -28.932 39.520 10.835 1.00 0.35 N ATOM 517 CA ASN A 33 -27.936 40.418 11.410 1.00 0.42 C ATOM 518 C ASN A 33 -26.721 39.663 11.974 1.00 0.38 C ATOM 519 O ASN A 33 -25.738 39.468 11.261 1.00 0.47 O ATOM 520 CB ASN A 33 -28.608 41.360 12.423 1.00 0.53 C ATOM 521 CG ASN A 33 -29.513 42.376 11.748 1.00 0.68 C ATOM 522 OD1 ASN A 33 -29.080 43.205 10.971 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.773 42.432 12.105 1.00 0.61 N ATOM 0 H ASN A 33 -29.714 39.331 11.461 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.522 41.039 10.616 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -29.190 40.772 13.133 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -27.841 41.882 12.995 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -31.377 43.164 11.732 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -31.150 41.743 12.756 1.00 0.61 H new ATOM 530 N PHE A 34 -26.849 39.210 13.226 1.00 0.35 N ATOM 531 CA PHE A 34 -25.826 38.501 13.999 1.00 0.42 C ATOM 532 C PHE A 34 -25.837 36.967 13.952 1.00 0.46 C ATOM 533 O PHE A 34 -24.946 36.331 14.496 1.00 0.78 O ATOM 534 CB PHE A 34 -25.734 39.058 15.429 1.00 0.52 C ATOM 535 CG PHE A 34 -27.066 39.291 16.129 1.00 0.94 C ATOM 536 CD1 PHE A 34 -28.003 38.244 16.259 1.00 0.75 C ATOM 537 CD2 PHE A 34 -27.370 40.557 16.664 1.00 1.98 C ATOM 538 CE1 PHE A 34 -29.232 38.463 16.905 1.00 1.54 C ATOM 539 CE2 PHE A 34 -28.599 40.775 17.314 1.00 2.84 C ATOM 540 CZ PHE A 34 -29.530 39.731 17.433 1.00 2.62 C ATOM 0 H PHE A 34 -27.713 39.335 13.753 1.00 0.35 H new ATOM 0 HA PHE A 34 -24.901 38.721 13.466 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -25.143 38.368 16.031 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -25.190 40.002 15.398 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -27.774 37.267 15.859 1.00 0.75 H new ATOM 0 HD2 PHE A 34 -26.658 41.364 16.575 1.00 1.98 H new ATOM 0 HE1 PHE A 34 -29.946 37.658 16.996 1.00 1.54 H new ATOM 0 HE2 PHE A 34 -28.827 41.748 17.723 1.00 2.84 H new ATOM 0 HZ PHE A 34 -30.474 39.902 17.930 1.00 2.62 H new ATOM 550 N LYS A 35 -26.867 36.380 13.327 1.00 0.33 N ATOM 551 CA LYS A 35 -27.066 34.934 13.165 1.00 0.36 C ATOM 552 C LYS A 35 -26.926 34.097 14.460 1.00 0.37 C ATOM 553 O LYS A 35 -26.959 34.549 15.618 1.00 0.53 O ATOM 554 CB LYS A 35 -26.366 34.395 11.886 1.00 0.58 C ATOM 555 CG LYS A 35 -24.909 34.783 11.551 1.00 1.15 C ATOM 556 CD LYS A 35 -24.674 36.151 10.867 1.00 1.36 C ATOM 557 CE LYS A 35 -25.491 36.391 9.584 1.00 1.90 C ATOM 558 NZ LYS A 35 -25.235 37.736 9.011 1.00 2.56 N ATOM 0 H LYS A 35 -27.617 36.925 12.902 1.00 0.33 H new ATOM 0 HA LYS A 35 -28.128 34.781 12.970 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -26.403 33.307 11.937 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -26.979 34.695 11.036 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -24.335 34.767 12.477 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -24.494 34.009 10.906 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -24.908 36.941 11.581 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -23.615 36.242 10.627 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -25.242 35.628 8.846 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -26.553 36.286 9.805 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -26.110 38.298 9.040 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -24.498 38.215 9.566 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -24.918 37.639 8.025 1.00 2.56 H new ATOM 572 N ILE A 36 -27.173 32.795 14.290 1.00 0.35 N ATOM 573 CA ILE A 36 -27.525 31.801 15.272 1.00 0.35 C ATOM 574 C ILE A 36 -26.352 30.840 15.504 1.00 0.34 C ATOM 575 O ILE A 36 -25.606 30.402 14.592 1.00 0.43 O ATOM 576 CB ILE A 36 -28.746 31.052 14.800 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.797 31.991 14.175 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.440 30.218 15.892 1.00 0.36 C ATOM 579 CD1 ILE A 36 -30.296 33.137 15.068 1.00 0.41 C ATOM 0 H ILE A 36 -27.122 32.383 13.358 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.749 32.288 16.221 1.00 0.35 H new ATOM 0 HB ILE A 36 -28.353 30.366 14.050 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.375 32.422 13.267 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -30.656 31.392 13.874 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.308 29.713 15.468 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -28.743 29.476 16.282 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.762 30.874 16.701 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -31.031 33.730 14.523 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -30.756 32.725 15.966 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -29.455 33.771 15.350 1.00 0.41 H new ATOM 591 N VAL A 37 -26.230 30.414 16.738 1.00 0.30 N ATOM 592 CA VAL A 37 -25.290 29.394 17.203 1.00 0.27 C ATOM 593 C VAL A 37 -25.926 28.125 17.570 1.00 0.25 C ATOM 594 O VAL A 37 -26.917 28.108 18.358 1.00 0.31 O ATOM 595 CB VAL A 37 -24.503 29.920 18.354 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.412 28.889 18.852 1.00 0.83 C ATOM 597 CG2 VAL A 37 -23.840 31.299 18.045 1.00 0.85 C ATOM 0 H VAL A 37 -26.809 30.782 17.493 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.635 29.173 16.360 1.00 0.27 H new ATOM 0 HB VAL A 37 -25.223 30.069 19.159 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -22.864 29.316 19.692 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.900 27.967 19.169 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -22.719 28.672 18.039 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.279 31.636 18.917 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -23.164 31.196 17.196 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -24.613 32.029 17.806 1.00 0.85 H new ATOM 607 N THR A 38 -25.434 26.972 17.134 1.00 0.25 N ATOM 608 CA THR A 38 -26.076 25.664 17.405 1.00 0.25 C ATOM 609 C THR A 38 -25.286 24.719 18.288 1.00 0.23 C ATOM 610 O THR A 38 -24.076 24.552 18.120 1.00 0.24 O ATOM 611 CB THR A 38 -26.591 24.984 16.133 1.00 0.29 C ATOM 612 OG1 THR A 38 -27.195 25.949 15.312 1.00 0.39 O ATOM 613 CG2 THR A 38 -27.638 23.901 16.358 1.00 0.28 C ATOM 0 H THR A 38 -24.579 26.903 16.581 1.00 0.25 H new ATOM 0 HA THR A 38 -26.945 25.924 18.010 1.00 0.25 H new ATOM 0 HB THR A 38 -25.713 24.512 15.691 1.00 0.29 H new ATOM 0 HG1 THR A 38 -27.526 25.522 14.494 1.00 0.39 H new ATOM 0 HG21 THR A 38 -27.939 23.481 15.398 1.00 0.28 H new ATOM 0 HG22 THR A 38 -27.218 23.113 16.983 1.00 0.28 H new ATOM 0 HG23 THR A 38 -28.508 24.333 16.853 1.00 0.28 H new ATOM 621 N GLU A 39 -25.998 24.019 19.176 1.00 0.22 N ATOM 622 CA GLU A 39 -25.516 22.974 20.001 1.00 0.20 C ATOM 623 C GLU A 39 -26.320 21.748 19.782 1.00 0.18 C ATOM 624 O GLU A 39 -27.552 21.733 19.945 1.00 0.20 O ATOM 625 CB GLU A 39 -25.724 23.304 21.504 1.00 0.24 C ATOM 626 CG GLU A 39 -24.844 24.491 21.958 1.00 0.56 C ATOM 627 CD GLU A 39 -24.938 24.863 23.497 1.00 0.99 C ATOM 628 OE1 GLU A 39 -25.987 24.564 24.128 1.00 1.41 O ATOM 629 OE2 GLU A 39 -23.997 25.402 24.073 1.00 1.41 O ATOM 0 H GLU A 39 -26.990 24.201 19.326 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.462 22.846 19.755 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -26.773 23.540 21.683 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -25.488 22.426 22.105 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -23.805 24.262 21.721 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -25.119 25.369 21.373 1.00 0.56 H new ATOM 636 N VAL A 40 -25.655 20.602 19.652 1.00 0.17 N ATOM 637 CA VAL A 40 -26.250 19.374 19.096 1.00 0.18 C ATOM 638 C VAL A 40 -25.917 18.128 19.906 1.00 0.19 C ATOM 639 O VAL A 40 -24.740 17.930 20.217 1.00 0.20 O ATOM 640 CB VAL A 40 -25.820 19.167 17.628 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.754 18.224 16.859 1.00 0.19 C ATOM 642 CG2 VAL A 40 -25.678 20.467 16.831 1.00 0.19 C ATOM 0 H VAL A 40 -24.680 20.492 19.930 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.330 19.516 19.146 1.00 0.18 H new ATOM 0 HB VAL A 40 -24.834 18.710 17.716 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.400 18.118 15.834 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.763 17.247 17.343 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -27.763 18.636 16.854 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -25.373 20.236 15.810 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -26.634 20.990 16.815 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -24.925 21.101 17.300 1.00 0.19 H new ATOM 652 N GLN A 41 -26.840 17.161 19.964 1.00 0.22 N ATOM 653 CA GLN A 41 -26.446 15.736 20.349 1.00 0.27 C ATOM 654 C GLN A 41 -27.238 14.715 19.553 1.00 0.27 C ATOM 655 O GLN A 41 -28.424 14.927 19.338 1.00 0.31 O ATOM 656 CB GLN A 41 -26.827 15.616 21.851 1.00 0.41 C ATOM 657 CG GLN A 41 -26.191 14.431 22.661 1.00 0.37 C ATOM 658 CD GLN A 41 -26.780 13.082 22.390 1.00 1.30 C ATOM 659 OE1 GLN A 41 -27.962 12.827 22.059 1.00 2.15 O ATOM 660 NE2 GLN A 41 -25.903 12.078 22.511 1.00 2.00 N ATOM 0 H GLN A 41 -27.831 17.295 19.765 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.390 15.548 20.153 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -26.552 16.548 22.345 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -27.911 15.527 21.918 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -25.124 14.394 22.441 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -26.290 14.645 23.725 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -24.939 12.273 22.780 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -26.199 11.118 22.334 1.00 2.00 H new ATOM 669 N GLN A 42 -26.684 13.605 19.058 1.00 0.27 N ATOM 670 CA GLN A 42 -27.493 12.547 18.405 1.00 0.30 C ATOM 671 C GLN A 42 -26.980 11.156 18.778 1.00 0.33 C ATOM 672 O GLN A 42 -25.773 10.934 18.650 1.00 0.42 O ATOM 673 CB GLN A 42 -27.512 12.742 16.868 1.00 0.43 C ATOM 674 CG GLN A 42 -28.398 11.703 16.142 1.00 0.51 C ATOM 675 CD GLN A 42 -28.317 11.698 14.623 1.00 0.77 C ATOM 676 OE1 GLN A 42 -27.490 12.355 14.005 1.00 1.16 O ATOM 677 NE2 GLN A 42 -28.985 10.770 13.976 1.00 0.73 N ATOM 0 H GLN A 42 -25.684 13.407 19.092 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.517 12.630 18.768 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -27.873 13.744 16.638 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -26.494 12.675 16.485 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -28.128 10.710 16.503 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -29.435 11.876 16.430 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -29.680 10.207 14.466 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -28.808 10.612 12.984 1.00 0.73 H new ATOM 686 N ASP A 43 -27.889 10.188 18.957 1.00 0.31 N ATOM 687 CA ASP A 43 -27.515 8.802 19.207 1.00 0.36 C ATOM 688 C ASP A 43 -28.523 7.893 18.498 1.00 0.37 C ATOM 689 O ASP A 43 -29.672 7.699 18.907 1.00 0.38 O ATOM 690 CB ASP A 43 -27.419 8.540 20.718 1.00 0.43 C ATOM 691 CG ASP A 43 -26.766 7.182 21.016 1.00 0.97 C ATOM 692 OD1 ASP A 43 -26.362 6.505 20.038 1.00 1.01 O ATOM 693 OD2 ASP A 43 -26.385 7.007 22.192 1.00 1.68 O ATOM 0 H ASP A 43 -28.896 10.349 18.932 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.526 8.585 18.802 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -26.840 9.334 21.189 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.416 8.569 21.157 1.00 0.43 H new ATOM 698 N GLY A 44 -28.179 7.535 17.264 1.00 0.43 N ATOM 699 CA GLY A 44 -29.043 6.650 16.401 1.00 0.50 C ATOM 700 C GLY A 44 -30.212 7.312 15.775 1.00 0.60 C ATOM 701 O GLY A 44 -30.118 8.009 14.773 1.00 1.24 O ATOM 0 H GLY A 44 -27.312 7.831 16.815 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -28.423 6.225 15.612 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -29.401 5.818 17.008 1.00 0.50 H new ATOM 705 N GLN A 45 -31.382 6.915 16.270 1.00 0.34 N ATOM 706 CA GLN A 45 -32.637 7.581 15.967 1.00 0.30 C ATOM 707 C GLN A 45 -32.924 8.727 16.943 1.00 0.29 C ATOM 708 O GLN A 45 -33.720 9.588 16.576 1.00 0.32 O ATOM 709 CB GLN A 45 -33.802 6.579 15.978 1.00 0.31 C ATOM 710 CG GLN A 45 -33.666 5.440 14.957 1.00 0.32 C ATOM 711 CD GLN A 45 -34.907 4.549 14.904 1.00 0.76 C ATOM 712 OE1 GLN A 45 -34.966 3.355 15.153 1.00 1.37 O ATOM 713 NE2 GLN A 45 -36.060 5.080 14.559 1.00 1.02 N ATOM 0 H GLN A 45 -31.482 6.116 16.896 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.541 8.006 14.968 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -33.886 6.149 16.976 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -34.730 7.117 15.784 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -33.484 5.862 13.969 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -32.797 4.832 15.209 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -36.117 6.073 14.331 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -36.898 4.499 14.519 1.00 1.02 H new ATOM 722 N ASP A 46 -32.396 8.724 18.173 1.00 0.30 N ATOM 723 CA ASP A 46 -32.672 9.830 19.099 1.00 0.34 C ATOM 724 C ASP A 46 -31.735 11.003 18.791 1.00 0.35 C ATOM 725 O ASP A 46 -30.648 10.863 18.216 1.00 0.49 O ATOM 726 CB ASP A 46 -32.538 9.414 20.571 1.00 0.40 C ATOM 727 CG ASP A 46 -33.237 10.447 21.475 1.00 1.10 C ATOM 728 OD1 ASP A 46 -34.372 10.843 21.100 1.00 1.18 O ATOM 729 OD2 ASP A 46 -32.574 11.010 22.365 1.00 1.85 O ATOM 0 H ASP A 46 -31.792 7.990 18.543 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.709 10.132 18.950 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -32.980 8.429 20.721 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -31.485 9.335 20.841 1.00 0.40 H new ATOM 734 N PHE A 47 -32.257 12.202 19.023 1.00 0.26 N ATOM 735 CA PHE A 47 -31.760 13.447 18.456 1.00 0.26 C ATOM 736 C PHE A 47 -32.034 14.690 19.297 1.00 0.19 C ATOM 737 O PHE A 47 -33.161 14.889 19.761 1.00 0.21 O ATOM 738 CB PHE A 47 -32.181 13.536 16.977 1.00 0.31 C ATOM 739 CG PHE A 47 -32.249 14.924 16.376 1.00 1.56 C ATOM 740 CD1 PHE A 47 -33.308 15.778 16.733 1.00 2.65 C ATOM 741 CD2 PHE A 47 -31.295 15.343 15.430 1.00 1.72 C ATOM 742 CE1 PHE A 47 -33.385 17.069 16.193 1.00 3.87 C ATOM 743 CE2 PHE A 47 -31.408 16.617 14.840 1.00 2.93 C ATOM 744 CZ PHE A 47 -32.453 17.472 15.225 1.00 3.99 C ATOM 0 H PHE A 47 -33.065 12.337 19.631 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.671 13.423 18.483 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -31.482 12.943 16.387 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -33.161 13.071 16.873 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -34.064 15.438 17.425 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.479 14.690 15.157 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -34.157 17.750 16.520 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -30.694 16.935 14.095 1.00 2.93 H new ATOM 0 HZ PHE A 47 -32.540 18.449 14.772 1.00 3.99 H new ATOM 754 N THR A 48 -31.119 15.659 19.312 1.00 0.22 N ATOM 755 CA THR A 48 -31.366 16.992 19.871 1.00 0.23 C ATOM 756 C THR A 48 -30.634 18.003 19.000 1.00 0.21 C ATOM 757 O THR A 48 -29.405 17.992 18.924 1.00 0.21 O ATOM 758 CB THR A 48 -30.851 17.046 21.317 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.783 16.414 22.169 1.00 0.27 O ATOM 760 CG2 THR A 48 -30.684 18.464 21.878 1.00 0.29 C ATOM 0 H THR A 48 -30.179 15.542 18.935 1.00 0.22 H new ATOM 0 HA THR A 48 -32.432 17.219 19.884 1.00 0.23 H new ATOM 0 HB THR A 48 -29.876 16.560 21.287 1.00 0.25 H new ATOM 0 HG1 THR A 48 -32.425 15.905 21.631 1.00 0.27 H new ATOM 0 HG21 THR A 48 -30.317 18.409 22.903 1.00 0.29 H new ATOM 0 HG22 THR A 48 -29.970 19.016 21.266 1.00 0.29 H new ATOM 0 HG23 THR A 48 -31.646 18.976 21.864 1.00 0.29 H new ATOM 768 N TRP A 49 -31.369 19.037 18.596 1.00 0.23 N ATOM 769 CA TRP A 49 -30.847 20.276 18.025 1.00 0.24 C ATOM 770 C TRP A 49 -31.314 21.434 18.915 1.00 0.25 C ATOM 771 O TRP A 49 -32.449 21.460 19.400 1.00 0.29 O ATOM 772 CB TRP A 49 -31.324 20.339 16.564 1.00 0.29 C ATOM 773 CG TRP A 49 -30.894 21.443 15.638 1.00 0.26 C ATOM 774 CD1 TRP A 49 -30.824 22.761 15.923 1.00 0.29 C ATOM 775 CD2 TRP A 49 -30.692 21.356 14.188 1.00 0.23 C ATOM 776 NE1 TRP A 49 -30.521 23.475 14.779 1.00 0.29 N ATOM 777 CE2 TRP A 49 -30.477 22.667 13.672 1.00 0.25 C ATOM 778 CE3 TRP A 49 -30.713 20.304 13.243 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -30.299 22.931 12.307 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -30.547 20.557 11.868 1.00 0.21 C ATOM 781 CH2 TRP A 49 -30.342 21.863 11.401 1.00 0.22 C ATOM 0 H TRP A 49 -32.387 19.034 18.660 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.759 20.334 18.001 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -31.028 19.401 16.095 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.414 20.354 16.588 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -30.981 23.193 16.900 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -30.351 24.481 14.760 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -30.859 19.289 13.582 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -30.132 23.940 11.960 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -30.578 19.737 11.166 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -30.217 22.046 10.344 1.00 0.22 H new ATOM 792 N SER A 50 -30.404 22.353 19.231 1.00 0.23 N ATOM 793 CA SER A 50 -30.694 23.512 20.051 1.00 0.25 C ATOM 794 C SER A 50 -29.912 24.717 19.473 1.00 0.26 C ATOM 795 O SER A 50 -28.689 24.700 19.293 1.00 0.32 O ATOM 796 CB SER A 50 -30.327 23.343 21.564 1.00 0.26 C ATOM 797 OG SER A 50 -30.845 24.405 22.393 1.00 1.22 O ATOM 0 H SER A 50 -29.434 22.307 18.918 1.00 0.23 H new ATOM 0 HA SER A 50 -31.773 23.661 20.020 1.00 0.25 H new ATOM 0 HB2 SER A 50 -30.714 22.389 21.922 1.00 0.26 H new ATOM 0 HB3 SER A 50 -29.243 23.306 21.667 1.00 0.26 H new ATOM 0 HG SER A 50 -31.604 24.831 21.943 1.00 1.22 H new ATOM 803 N GLN A 51 -30.673 25.765 19.221 1.00 0.26 N ATOM 804 CA GLN A 51 -30.248 26.997 18.590 1.00 0.27 C ATOM 805 C GLN A 51 -30.245 28.119 19.624 1.00 0.28 C ATOM 806 O GLN A 51 -31.114 28.197 20.497 1.00 0.31 O ATOM 807 CB GLN A 51 -31.219 27.344 17.461 1.00 0.35 C ATOM 808 CG GLN A 51 -31.437 26.276 16.383 1.00 0.53 C ATOM 809 CD GLN A 51 -32.651 25.378 16.641 1.00 0.69 C ATOM 810 OE1 GLN A 51 -32.861 24.849 17.722 1.00 1.50 O ATOM 811 NE2 GLN A 51 -33.373 25.029 15.606 1.00 0.53 N ATOM 0 H GLN A 51 -31.663 25.778 19.466 1.00 0.26 H new ATOM 0 HA GLN A 51 -29.244 26.876 18.184 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -32.186 27.580 17.905 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -30.862 28.251 16.973 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -31.558 26.767 15.417 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -30.544 25.654 16.315 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -33.207 25.464 14.698 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -34.102 24.322 15.707 1.00 0.53 H new ATOM 820 N HIS A 52 -29.307 29.051 19.485 1.00 0.36 N ATOM 821 CA HIS A 52 -29.138 30.195 20.377 1.00 0.39 C ATOM 822 C HIS A 52 -28.903 31.444 19.518 1.00 0.41 C ATOM 823 O HIS A 52 -27.929 31.475 18.767 1.00 0.45 O ATOM 824 CB HIS A 52 -27.977 29.892 21.360 1.00 0.41 C ATOM 825 CG HIS A 52 -28.032 28.522 22.029 1.00 0.85 C ATOM 826 ND1 HIS A 52 -29.142 27.949 22.617 1.00 1.08 N ATOM 827 CD2 HIS A 52 -26.969 27.695 22.295 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.781 26.777 23.172 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.462 26.613 23.014 1.00 2.21 N ATOM 0 H HIS A 52 -28.624 29.031 18.728 1.00 0.36 H new ATOM 0 HA HIS A 52 -30.025 30.381 20.983 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -27.034 29.977 20.820 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -27.970 30.657 22.136 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -25.942 27.855 22.001 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -29.446 26.083 23.664 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -26.912 25.827 23.362 1.00 2.21 H new ATOM 837 N TYR A 53 -29.798 32.441 19.538 1.00 0.42 N ATOM 838 CA TYR A 53 -29.531 33.708 18.831 1.00 0.45 C ATOM 839 C TYR A 53 -28.281 34.293 19.517 1.00 0.57 C ATOM 840 O TYR A 53 -28.229 34.298 20.749 1.00 0.67 O ATOM 841 CB TYR A 53 -30.648 34.771 18.995 1.00 0.52 C ATOM 842 CG TYR A 53 -32.136 34.457 18.877 1.00 0.55 C ATOM 843 CD1 TYR A 53 -32.634 33.289 18.263 1.00 0.53 C ATOM 844 CD2 TYR A 53 -33.046 35.425 19.357 1.00 0.67 C ATOM 845 CE1 TYR A 53 -34.028 33.087 18.165 1.00 0.62 C ATOM 846 CE2 TYR A 53 -34.439 35.214 19.270 1.00 0.75 C ATOM 847 CZ TYR A 53 -34.933 34.051 18.650 1.00 0.72 C ATOM 848 OH TYR A 53 -36.255 33.752 18.744 1.00 0.84 O ATOM 0 H TYR A 53 -30.694 32.402 20.023 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.438 33.495 17.766 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -30.506 35.215 19.980 1.00 0.52 H new ATOM 0 HB3 TYR A 53 -30.440 35.550 18.261 1.00 0.52 H new ATOM 0 HD1 TYR A 53 -31.951 32.551 17.869 1.00 0.53 H new ATOM 0 HD2 TYR A 53 -32.671 36.338 19.796 1.00 0.67 H new ATOM 0 HE1 TYR A 53 -34.405 32.182 17.712 1.00 0.62 H new ATOM 0 HE2 TYR A 53 -35.124 35.943 19.678 1.00 0.75 H new ATOM 0 HH TYR A 53 -36.767 34.345 18.156 1.00 0.84 H new ATOM 883 N HIS A 57 -31.265 34.405 23.241 1.00 0.94 N ATOM 884 CA HIS A 57 -32.481 33.562 23.360 1.00 0.81 C ATOM 885 C HIS A 57 -32.252 32.170 22.756 1.00 0.66 C ATOM 886 O HIS A 57 -31.595 32.055 21.724 1.00 0.63 O ATOM 887 CB HIS A 57 -33.687 34.280 22.725 1.00 0.85 C ATOM 888 CG HIS A 57 -34.982 33.491 22.684 1.00 0.92 C ATOM 889 ND1 HIS A 57 -35.676 33.093 21.548 1.00 0.89 N ATOM 890 CD2 HIS A 57 -35.673 33.012 23.767 1.00 1.08 C ATOM 891 CE1 HIS A 57 -36.767 32.408 21.931 1.00 1.05 C ATOM 892 NE2 HIS A 57 -36.781 32.335 23.278 1.00 1.17 N ATOM 0 HA HIS A 57 -32.702 33.411 24.417 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -33.865 35.205 23.274 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -33.423 34.560 21.705 1.00 0.85 H new ATOM 0 HD1 HIS A 57 -35.403 33.288 20.585 1.00 0.89 H new ATOM 0 HD2 HIS A 57 -35.405 33.138 24.806 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -37.509 31.986 21.270 1.00 1.05 H new ATOM 900 N THR A 58 -32.862 31.140 23.346 1.00 0.61 N ATOM 901 CA THR A 58 -32.739 29.732 22.928 1.00 0.54 C ATOM 902 C THR A 58 -34.056 29.244 22.334 1.00 0.53 C ATOM 903 O THR A 58 -35.115 29.487 22.912 1.00 0.64 O ATOM 904 CB THR A 58 -32.351 28.866 24.140 1.00 0.61 C ATOM 905 OG1 THR A 58 -31.023 29.185 24.479 1.00 0.73 O ATOM 906 CG2 THR A 58 -32.380 27.350 23.927 1.00 0.60 C ATOM 0 H THR A 58 -33.475 31.261 24.152 1.00 0.61 H new ATOM 0 HA THR A 58 -31.963 29.651 22.167 1.00 0.54 H new ATOM 0 HB THR A 58 -33.098 29.089 24.902 1.00 0.61 H new ATOM 0 HG1 THR A 58 -30.412 28.772 23.833 1.00 0.73 H new ATOM 0 HG21 THR A 58 -32.088 26.847 24.849 1.00 0.60 H new ATOM 0 HG22 THR A 58 -33.387 27.041 23.648 1.00 0.60 H new ATOM 0 HG23 THR A 58 -31.685 27.081 23.132 1.00 0.60 H new ATOM 914 N MET A 59 -33.937 28.321 21.379 1.00 0.47 N ATOM 915 CA MET A 59 -34.954 27.347 20.996 1.00 0.53 C ATOM 916 C MET A 59 -34.332 25.941 20.861 1.00 0.45 C ATOM 917 O MET A 59 -33.128 25.749 21.031 1.00 0.52 O ATOM 918 CB MET A 59 -35.717 27.805 19.735 1.00 0.70 C ATOM 919 CG MET A 59 -34.868 27.991 18.475 1.00 0.68 C ATOM 920 SD MET A 59 -33.912 29.542 18.403 1.00 1.13 S ATOM 921 CE MET A 59 -33.671 29.697 16.604 1.00 0.46 C ATOM 0 H MET A 59 -33.085 28.230 20.825 1.00 0.47 H new ATOM 0 HA MET A 59 -35.701 27.281 21.788 1.00 0.53 H new ATOM 0 HB2 MET A 59 -36.497 27.075 19.520 1.00 0.70 H new ATOM 0 HB3 MET A 59 -36.215 28.749 19.957 1.00 0.70 H new ATOM 0 HG2 MET A 59 -34.176 27.153 18.396 1.00 0.68 H new ATOM 0 HG3 MET A 59 -35.523 27.946 17.605 1.00 0.68 H new ATOM 0 HE1 MET A 59 -32.617 29.558 16.365 1.00 0.46 H new ATOM 0 HE2 MET A 59 -34.262 28.939 16.091 1.00 0.46 H new ATOM 0 HE3 MET A 59 -33.990 30.687 16.278 1.00 0.46 H new ATOM 931 N THR A 60 -35.188 24.923 20.813 1.00 0.42 N ATOM 932 CA THR A 60 -34.899 23.536 20.720 1.00 0.40 C ATOM 933 C THR A 60 -35.837 22.901 19.755 1.00 0.38 C ATOM 934 O THR A 60 -37.010 23.183 19.747 1.00 0.49 O ATOM 935 CB THR A 60 -35.093 22.772 22.074 1.00 0.54 C ATOM 936 OG1 THR A 60 -36.148 23.259 22.844 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.803 22.840 22.818 1.00 0.53 C ATOM 0 H THR A 60 -36.194 25.090 20.843 1.00 0.42 H new ATOM 0 HA THR A 60 -33.855 23.468 20.414 1.00 0.40 H new ATOM 0 HB THR A 60 -35.365 21.739 21.855 1.00 0.54 H new ATOM 0 HG1 THR A 60 -36.216 22.739 23.672 1.00 0.68 H new ATOM 0 HG21 THR A 60 -33.903 22.316 23.769 1.00 0.53 H new ATOM 0 HG22 THR A 60 -33.017 22.371 22.226 1.00 0.53 H new ATOM 0 HG23 THR A 60 -33.545 23.883 23.004 1.00 0.53 H new ATOM 945 N ASN A 61 -35.286 21.913 19.016 1.00 0.30 N ATOM 946 CA ASN A 61 -36.130 20.962 18.314 1.00 0.29 C ATOM 947 C ASN A 61 -35.701 19.552 18.711 1.00 0.30 C ATOM 948 O ASN A 61 -34.509 19.267 18.700 1.00 0.52 O ATOM 949 CB ASN A 61 -36.162 21.132 16.759 1.00 0.32 C ATOM 950 CG ASN A 61 -35.851 22.568 16.221 1.00 0.45 C ATOM 951 OD1 ASN A 61 -34.974 22.746 15.367 1.00 0.84 O ATOM 952 ND2 ASN A 61 -36.595 23.550 16.686 1.00 0.47 N ATOM 0 H ASN A 61 -34.283 21.767 18.900 1.00 0.30 H new ATOM 0 HA ASN A 61 -37.158 21.158 18.620 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -35.444 20.438 16.322 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -37.148 20.837 16.401 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -36.458 24.500 16.342 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.308 23.360 17.390 1.00 0.47 H new ATOM 959 N LYS A 62 -36.612 18.621 19.052 1.00 0.29 N ATOM 960 CA LYS A 62 -36.261 17.255 19.528 1.00 0.29 C ATOM 961 C LYS A 62 -37.262 16.176 19.113 1.00 0.29 C ATOM 962 O LYS A 62 -38.429 16.278 19.471 1.00 0.39 O ATOM 963 CB LYS A 62 -36.163 17.219 21.061 1.00 0.28 C ATOM 964 CG LYS A 62 -35.002 18.025 21.652 1.00 0.31 C ATOM 965 CD LYS A 62 -34.938 17.800 23.165 1.00 0.43 C ATOM 966 CE LYS A 62 -33.690 18.474 23.731 1.00 0.46 C ATOM 967 NZ LYS A 62 -33.599 18.279 25.196 1.00 0.83 N ATOM 0 H LYS A 62 -37.617 18.788 19.008 1.00 0.29 H new ATOM 0 HA LYS A 62 -35.303 17.036 19.057 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -37.097 17.595 21.479 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -36.065 16.181 21.380 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -34.063 17.722 21.189 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -35.136 19.085 21.437 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -35.830 18.206 23.641 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -34.918 16.732 23.384 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -32.802 18.064 23.250 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -33.713 19.540 23.503 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -32.743 18.746 25.556 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -34.437 18.691 25.654 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -33.554 17.262 25.409 1.00 0.83 H new ATOM 981 N PHE A 63 -36.780 15.053 18.582 1.00 0.27 N ATOM 982 CA PHE A 63 -37.590 13.898 18.171 1.00 0.25 C ATOM 983 C PHE A 63 -36.757 12.619 18.000 1.00 0.22 C ATOM 984 O PHE A 63 -35.598 12.693 17.599 1.00 0.22 O ATOM 985 CB PHE A 63 -38.338 14.195 16.850 1.00 0.30 C ATOM 986 CG PHE A 63 -37.416 14.646 15.733 1.00 0.30 C ATOM 987 CD1 PHE A 63 -37.108 16.009 15.590 1.00 0.53 C ATOM 988 CD2 PHE A 63 -36.747 13.695 14.943 1.00 0.34 C ATOM 989 CE1 PHE A 63 -36.079 16.398 14.718 1.00 0.58 C ATOM 990 CE2 PHE A 63 -35.700 14.084 14.090 1.00 0.40 C ATOM 991 CZ PHE A 63 -35.353 15.438 13.994 1.00 0.42 C ATOM 0 H PHE A 63 -35.783 14.914 18.419 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.306 13.728 18.975 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.872 13.300 16.533 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -39.087 14.967 17.029 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -37.659 16.752 16.147 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -37.040 12.657 14.992 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -35.843 17.446 14.603 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -35.166 13.344 13.512 1.00 0.40 H new ATOM 0 HZ PHE A 63 -34.530 15.743 13.365 1.00 0.42 H new ATOM 1001 N THR A 64 -37.425 11.462 18.004 1.00 0.21 N ATOM 1002 CA THR A 64 -36.920 10.221 17.397 1.00 0.19 C ATOM 1003 C THR A 64 -37.064 10.161 15.870 1.00 0.18 C ATOM 1004 O THR A 64 -38.181 10.353 15.389 1.00 0.21 O ATOM 1005 CB THR A 64 -37.536 8.965 18.047 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.910 9.178 19.392 1.00 0.29 O ATOM 1007 CG2 THR A 64 -36.631 7.738 17.991 1.00 0.21 C ATOM 0 H THR A 64 -38.344 11.357 18.434 1.00 0.21 H new ATOM 0 HA THR A 64 -35.850 10.233 17.603 1.00 0.19 H new ATOM 0 HB THR A 64 -38.423 8.769 17.444 1.00 0.22 H new ATOM 0 HG1 THR A 64 -38.296 8.355 19.758 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.131 6.895 18.467 1.00 0.21 H new ATOM 0 HG22 THR A 64 -36.416 7.492 16.951 1.00 0.21 H new ATOM 0 HG23 THR A 64 -35.699 7.949 18.515 1.00 0.21 H new ATOM 1015 N VAL A 65 -36.047 9.831 15.079 1.00 0.18 N ATOM 1016 CA VAL A 65 -36.184 9.736 13.611 1.00 0.19 C ATOM 1017 C VAL A 65 -37.159 8.656 13.113 1.00 0.18 C ATOM 1018 O VAL A 65 -37.288 7.610 13.751 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.809 9.685 12.926 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -34.333 8.262 12.652 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.839 10.424 11.596 1.00 0.86 C ATOM 0 H VAL A 65 -35.110 9.622 15.423 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.671 10.661 13.302 1.00 0.19 H new ATOM 0 HB VAL A 65 -34.119 10.160 13.623 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -33.357 8.292 12.167 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -34.255 7.717 13.593 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -35.047 7.759 12.000 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.855 10.374 11.130 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -35.575 9.961 10.939 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -35.108 11.467 11.765 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.832 8.872 11.973 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.841 7.940 11.434 1.00 0.19 C ATOM 1033 C GLY A 66 -40.184 7.988 12.183 1.00 0.20 C ATOM 1034 O GLY A 66 -41.036 7.121 12.011 1.00 0.26 O ATOM 0 H GLY A 66 -37.693 9.701 11.395 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -39.012 8.171 10.383 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -38.446 6.925 11.477 1.00 0.19 H new ATOM 1038 N LYS A 67 -40.348 8.992 13.046 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.488 9.264 13.944 1.00 0.20 C ATOM 1040 C LYS A 67 -41.862 10.661 13.663 1.00 0.21 C ATOM 1041 O LYS A 67 -41.143 11.446 13.071 1.00 0.41 O ATOM 1042 CB LYS A 67 -41.134 9.001 15.426 1.00 0.35 C ATOM 1043 CG LYS A 67 -42.281 8.557 16.360 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.793 8.266 17.788 1.00 0.65 C ATOM 1045 CE LYS A 67 -42.817 8.081 18.879 1.00 0.84 C ATOM 1046 NZ LYS A 67 -43.535 6.809 18.669 1.00 1.54 N ATOM 0 H LYS A 67 -39.625 9.704 13.149 1.00 0.18 H new ATOM 0 HA LYS A 67 -42.330 8.595 13.764 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -40.358 8.236 15.457 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.699 9.913 15.836 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -43.043 9.336 16.391 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.754 7.664 15.951 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -41.182 7.364 17.751 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -41.136 9.083 18.086 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -42.329 8.079 19.854 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -43.521 8.913 18.877 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -44.242 6.681 19.421 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -44.012 6.828 17.745 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -42.858 6.020 18.692 1.00 1.54 H new ATOM 1060 N GLU A 68 -43.131 10.922 13.933 1.00 0.20 N ATOM 1061 CA GLU A 68 -43.840 12.152 13.578 1.00 0.23 C ATOM 1062 C GLU A 68 -44.211 12.936 14.849 1.00 0.29 C ATOM 1063 O GLU A 68 -44.110 12.404 15.955 1.00 0.38 O ATOM 1064 CB GLU A 68 -45.066 11.760 12.736 1.00 0.28 C ATOM 1065 CG GLU A 68 -45.762 12.965 12.101 1.00 0.36 C ATOM 1066 CD GLU A 68 -46.345 12.659 10.719 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -45.537 12.635 9.759 1.00 0.57 O ATOM 1068 OE2 GLU A 68 -47.588 12.743 10.626 1.00 0.62 O ATOM 0 H GLU A 68 -43.725 10.256 14.427 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.211 12.817 12.986 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -44.756 11.071 11.951 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.778 11.226 13.366 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.562 13.304 12.760 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.050 13.786 12.015 1.00 0.36 H new ATOM 1075 N SER A 69 -44.790 14.138 14.708 1.00 0.29 N ATOM 1076 CA SER A 69 -45.529 14.876 15.764 1.00 0.34 C ATOM 1077 C SER A 69 -44.715 15.370 16.970 1.00 0.34 C ATOM 1078 O SER A 69 -45.248 15.514 18.068 1.00 0.40 O ATOM 1079 CB SER A 69 -46.780 14.097 16.196 1.00 0.43 C ATOM 1080 OG SER A 69 -47.669 13.981 15.107 1.00 1.30 O ATOM 0 H SER A 69 -44.760 14.649 13.825 1.00 0.29 H new ATOM 0 HA SER A 69 -45.819 15.808 15.279 1.00 0.34 H new ATOM 0 HB2 SER A 69 -46.498 13.107 16.554 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.270 14.608 17.025 1.00 0.43 H new ATOM 0 HG SER A 69 -48.465 13.482 15.386 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.449 15.722 16.751 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.422 15.932 17.717 1.00 0.38 C ATOM 1088 C ASN A 70 -41.471 16.969 17.119 1.00 0.34 C ATOM 1089 O ASN A 70 -40.416 17.246 17.629 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.687 14.644 18.152 1.00 0.49 C ATOM 1091 CG ASN A 70 -42.472 13.714 19.070 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -42.358 13.885 20.287 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -43.338 12.848 18.517 1.00 0.85 N ATOM 0 H ASN A 70 -43.107 15.876 15.803 1.00 0.32 H new ATOM 0 HA ASN A 70 -42.867 16.289 18.646 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -41.405 14.089 17.257 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.763 14.927 18.656 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -43.948 12.287 19.112 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -43.385 12.752 17.503 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.853 17.590 16.037 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.985 18.325 15.129 1.00 0.28 C ATOM 1102 C ILE A 71 -41.308 19.745 15.301 1.00 0.29 C ATOM 1103 O ILE A 71 -42.464 20.124 15.397 1.00 0.30 O ATOM 1104 CB ILE A 71 -41.213 17.913 13.659 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.299 16.737 13.299 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -40.989 19.059 12.637 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -40.945 15.468 13.842 1.00 0.24 C ATOM 0 H ILE A 71 -42.829 17.604 15.740 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.941 18.112 15.358 1.00 0.28 H new ATOM 0 HB ILE A 71 -42.264 17.632 13.589 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -40.170 16.669 12.219 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -39.308 16.877 13.730 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -41.169 18.687 11.628 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -41.677 19.877 12.851 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -39.963 19.419 12.713 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -40.318 14.609 13.602 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -41.052 15.548 14.924 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -41.928 15.337 13.389 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.299 20.684 15.301 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.438 22.092 15.640 1.00 0.33 C ATOM 1121 C GLN A 72 -39.526 22.916 14.699 1.00 0.31 C ATOM 1122 O GLN A 72 -38.629 22.429 14.030 1.00 0.29 O ATOM 1123 CB GLN A 72 -39.977 22.391 17.109 1.00 0.38 C ATOM 1124 CG GLN A 72 -40.977 22.011 18.205 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.274 22.089 19.510 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -39.307 21.364 19.731 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -40.667 22.951 20.453 1.00 1.96 N ATOM 0 H GLN A 72 -39.341 20.440 15.050 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.491 22.355 15.537 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -39.043 21.860 17.293 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -39.760 23.456 17.193 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -41.833 22.686 18.192 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -41.362 21.005 18.038 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -41.468 23.560 20.285 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -40.166 23.000 21.340 1.00 1.96 H new ATOM 1136 N THR A 73 -39.925 24.235 14.641 1.00 0.36 N ATOM 1137 CA THR A 73 -39.347 25.279 13.765 1.00 0.38 C ATOM 1138 C THR A 73 -38.208 26.079 14.482 1.00 0.42 C ATOM 1139 O THR A 73 -37.830 25.901 15.642 1.00 0.43 O ATOM 1140 CB THR A 73 -40.361 26.286 13.278 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.119 26.883 14.297 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.404 25.478 12.418 1.00 0.40 C ATOM 0 H THR A 73 -40.680 24.593 15.226 1.00 0.36 H new ATOM 0 HA THR A 73 -38.955 24.725 12.912 1.00 0.38 H new ATOM 0 HB THR A 73 -39.810 27.069 12.757 1.00 0.42 H new ATOM 0 HG1 THR A 73 -41.750 27.522 13.904 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.166 26.158 12.037 1.00 0.40 H new ATOM 0 HG22 THR A 73 -40.894 25.000 11.582 1.00 0.40 H new ATOM 0 HG23 THR A 73 -41.875 24.716 13.039 1.00 0.40 H new ATOM 1150 N MET A 74 -37.684 27.118 13.794 1.00 0.45 N ATOM 1151 CA MET A 74 -36.825 28.145 14.427 1.00 0.51 C ATOM 1152 C MET A 74 -37.585 29.041 15.412 1.00 0.60 C ATOM 1153 O MET A 74 -37.046 29.387 16.459 1.00 0.78 O ATOM 1154 CB MET A 74 -36.130 29.063 13.400 1.00 0.63 C ATOM 1155 CG MET A 74 -34.976 28.433 12.623 1.00 0.69 C ATOM 1156 SD MET A 74 -33.710 27.606 13.632 1.00 1.11 S ATOM 1157 CE MET A 74 -32.578 26.982 12.366 1.00 0.59 C ATOM 0 H MET A 74 -37.841 27.268 12.797 1.00 0.45 H new ATOM 0 HA MET A 74 -36.077 27.564 14.966 1.00 0.51 H new ATOM 0 HB2 MET A 74 -36.877 29.410 12.687 1.00 0.63 H new ATOM 0 HB3 MET A 74 -35.755 29.943 13.922 1.00 0.63 H new ATOM 0 HG2 MET A 74 -35.387 27.707 11.921 1.00 0.69 H new ATOM 0 HG3 MET A 74 -34.493 29.210 12.031 1.00 0.69 H new ATOM 0 HE1 MET A 74 -31.754 26.453 12.844 1.00 0.59 H new ATOM 0 HE2 MET A 74 -33.112 26.300 11.705 1.00 0.59 H new ATOM 0 HE3 MET A 74 -32.185 27.817 11.786 1.00 0.59 H new ATOM 1167 N GLY A 75 -38.859 29.348 15.163 1.00 0.57 N ATOM 1168 CA GLY A 75 -39.693 30.104 16.044 1.00 0.65 C ATOM 1169 C GLY A 75 -40.180 29.194 17.074 1.00 0.64 C ATOM 1170 O GLY A 75 -40.705 29.659 18.085 1.00 0.73 O ATOM 0 H GLY A 75 -39.336 29.059 14.309 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -39.133 30.925 16.491 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -40.526 30.546 15.498 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.014 27.873 16.961 1.00 0.56 N ATOM 1175 CA GLY A 76 -40.461 26.859 17.958 1.00 0.57 C ATOM 1176 C GLY A 76 -41.853 26.236 17.767 1.00 0.58 C ATOM 1177 O GLY A 76 -42.337 25.620 18.677 1.00 0.63 O ATOM 0 H GLY A 76 -39.553 27.453 16.154 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -39.730 26.051 17.965 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -40.433 27.323 18.944 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.563 26.525 16.676 1.00 0.54 N ATOM 1182 CA LYS A 77 -43.896 25.979 16.370 1.00 0.56 C ATOM 1183 C LYS A 77 -43.784 24.471 16.106 1.00 0.49 C ATOM 1184 O LYS A 77 -42.972 24.079 15.282 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.416 26.728 15.131 1.00 0.59 C ATOM 1186 CG LYS A 77 -45.847 26.360 14.720 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.142 26.933 13.325 1.00 0.74 C ATOM 1188 CE LYS A 77 -47.601 26.713 12.906 1.00 1.17 C ATOM 1189 NZ LYS A 77 -48.526 27.587 13.670 1.00 1.76 N ATOM 0 H LYS A 77 -42.222 27.163 15.957 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.588 26.114 17.202 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.371 27.800 15.325 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -43.748 26.527 14.294 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -45.968 25.277 14.713 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.558 26.755 15.445 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -45.921 28.000 13.318 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -45.481 26.466 12.595 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -47.708 26.913 11.840 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -47.872 25.669 13.064 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -49.495 27.461 13.315 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -48.491 27.333 14.678 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -48.241 28.580 13.554 1.00 1.76 H new ATOM 1203 N THR A 78 -44.623 23.617 16.712 1.00 0.50 N ATOM 1204 CA THR A 78 -44.597 22.150 16.388 1.00 0.45 C ATOM 1205 C THR A 78 -45.325 21.921 15.028 1.00 0.44 C ATOM 1206 O THR A 78 -46.345 22.541 14.794 1.00 0.51 O ATOM 1207 CB THR A 78 -45.407 21.300 17.500 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.786 21.386 18.805 1.00 0.54 O ATOM 1209 CG2 THR A 78 -45.574 19.751 17.111 1.00 0.45 C ATOM 0 H THR A 78 -45.315 23.888 17.411 1.00 0.50 H new ATOM 0 HA THR A 78 -43.556 21.829 16.355 1.00 0.45 H new ATOM 0 HB THR A 78 -46.397 21.755 17.534 1.00 0.50 H new ATOM 0 HG1 THR A 78 -45.305 20.861 19.450 1.00 0.54 H new ATOM 0 HG21 THR A 78 -46.126 19.236 17.897 1.00 0.45 H new ATOM 0 HG22 THR A 78 -46.120 19.669 16.171 1.00 0.45 H new ATOM 0 HG23 THR A 78 -44.590 19.296 17.000 1.00 0.45 H new ATOM 1217 N PHE A 79 -44.902 20.952 14.217 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.722 20.386 13.138 1.00 0.32 C ATOM 1219 C PHE A 79 -45.549 18.867 13.024 1.00 0.30 C ATOM 1220 O PHE A 79 -44.701 18.280 13.701 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.534 21.119 11.797 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.139 21.130 11.195 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -43.136 21.981 11.701 1.00 0.27 C ATOM 1224 CD2 PHE A 79 -43.871 20.341 10.057 1.00 0.24 C ATOM 1225 CE1 PHE A 79 -41.871 22.026 11.083 1.00 0.26 C ATOM 1226 CE2 PHE A 79 -42.613 20.399 9.433 1.00 0.22 C ATOM 1227 CZ PHE A 79 -41.611 21.240 9.948 1.00 0.23 C ATOM 0 H PHE A 79 -43.975 20.532 14.288 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.763 20.556 13.414 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -46.211 20.670 11.070 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -45.851 22.153 11.931 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.337 22.599 12.563 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -44.636 19.689 9.663 1.00 0.24 H new ATOM 0 HE1 PHE A 79 -41.099 22.667 11.483 1.00 0.26 H new ATOM 0 HE2 PHE A 79 -42.416 19.798 8.558 1.00 0.22 H new ATOM 0 HZ PHE A 79 -40.643 21.282 9.472 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.490 18.189 12.351 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.495 16.745 12.295 1.00 0.31 C ATOM 1239 C LYS A 80 -45.895 16.211 11.006 1.00 0.27 C ATOM 1240 O LYS A 80 -46.617 15.951 10.044 1.00 0.27 O ATOM 1241 CB LYS A 80 -48.007 16.271 12.514 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.636 16.902 13.733 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.904 16.205 14.057 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.958 17.149 14.526 1.00 1.43 C ATOM 1245 NZ LYS A 80 -50.891 17.383 16.040 1.00 1.96 N ATOM 0 H LYS A 80 -47.254 18.632 11.841 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.858 16.336 13.079 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.596 16.524 11.632 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -48.034 15.186 12.615 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -47.951 16.844 14.579 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -48.827 17.959 13.550 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -50.261 15.673 13.175 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -49.719 15.456 14.828 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -50.848 18.101 14.007 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -51.940 16.755 14.264 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -51.641 18.045 16.322 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -51.022 16.479 16.537 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -49.964 17.784 16.289 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.540 16.079 11.007 1.00 0.25 N ATOM 1260 CA ALA A 81 -43.721 15.662 9.838 1.00 0.21 C ATOM 1261 C ALA A 81 -42.836 14.482 10.222 1.00 0.20 C ATOM 1262 O ALA A 81 -42.380 14.376 11.316 1.00 0.22 O ATOM 1263 CB ALA A 81 -42.845 16.826 9.328 1.00 0.19 C ATOM 0 H ALA A 81 -43.977 16.263 11.837 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.398 15.367 9.036 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -42.257 16.492 8.473 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -43.483 17.657 9.027 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.175 17.153 10.123 1.00 0.19 H new ATOM 1269 N THR A 82 -42.668 13.549 9.262 1.00 0.19 N ATOM 1270 CA THR A 82 -41.807 12.368 9.469 1.00 0.18 C ATOM 1271 C THR A 82 -40.448 12.570 8.951 1.00 0.16 C ATOM 1272 O THR A 82 -40.219 12.631 7.744 1.00 0.18 O ATOM 1273 CB THR A 82 -42.403 11.053 8.891 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.603 10.807 9.640 1.00 0.28 O ATOM 1275 CG2 THR A 82 -41.440 9.912 9.239 1.00 0.24 C ATOM 0 H THR A 82 -43.113 13.590 8.345 1.00 0.19 H new ATOM 0 HA THR A 82 -41.756 12.253 10.552 1.00 0.18 H new ATOM 0 HB THR A 82 -42.571 11.120 7.816 1.00 0.23 H new ATOM 0 HG1 THR A 82 -44.282 11.471 9.398 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.831 8.973 8.846 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.464 10.112 8.797 1.00 0.24 H new ATOM 0 HG23 THR A 82 -41.339 9.838 10.322 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.463 12.552 9.831 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.064 12.821 9.436 1.00 0.14 C ATOM 1285 C VAL A 83 -37.424 11.531 8.980 1.00 0.15 C ATOM 1286 O VAL A 83 -37.614 10.450 9.582 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.159 13.478 10.592 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -35.706 13.869 10.115 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -37.911 14.633 11.348 1.00 0.17 C ATOM 0 H VAL A 83 -39.590 12.356 10.824 1.00 0.14 H new ATOM 0 HA VAL A 83 -38.111 13.557 8.634 1.00 0.14 H new ATOM 0 HB VAL A 83 -36.994 12.693 11.330 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.155 14.306 10.948 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.186 12.978 9.764 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -35.772 14.594 9.304 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.261 15.046 12.119 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.179 15.417 10.640 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -38.816 14.237 11.810 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.758 11.548 7.835 1.00 0.14 N ATOM 1300 CA GLN A 84 -36.067 10.373 7.283 1.00 0.15 C ATOM 1301 C GLN A 84 -34.570 10.657 7.160 1.00 0.15 C ATOM 1302 O GLN A 84 -34.156 11.795 7.336 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.735 9.915 5.972 1.00 0.17 C ATOM 1304 CG GLN A 84 -36.831 11.048 4.942 1.00 0.19 C ATOM 1305 CD GLN A 84 -37.362 10.663 3.563 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -37.361 11.486 2.665 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -38.181 9.641 3.444 1.00 0.52 N ATOM 0 H GLN A 84 -36.676 12.381 7.252 1.00 0.14 H new ATOM 0 HA GLN A 84 -36.160 9.528 7.966 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.167 9.087 5.547 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -37.734 9.538 6.188 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -37.473 11.829 5.350 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -35.839 11.483 4.818 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -38.215 8.927 4.172 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -38.782 9.562 2.624 1.00 0.52 H new ATOM 1316 N MET A 85 -33.766 9.606 7.004 1.00 0.16 N ATOM 1317 CA MET A 85 -32.293 9.621 6.936 1.00 0.17 C ATOM 1318 C MET A 85 -31.729 9.125 5.592 1.00 0.20 C ATOM 1319 O MET A 85 -31.197 8.020 5.502 1.00 0.22 O ATOM 1320 CB MET A 85 -31.674 8.805 8.083 1.00 0.21 C ATOM 1321 CG MET A 85 -32.021 9.369 9.454 1.00 0.21 C ATOM 1322 SD MET A 85 -30.960 8.800 10.808 1.00 0.23 S ATOM 1323 CE MET A 85 -29.483 9.797 10.498 1.00 0.19 C ATOM 0 H MET A 85 -34.141 8.662 6.916 1.00 0.16 H new ATOM 0 HA MET A 85 -32.013 10.670 7.034 1.00 0.17 H new ATOM 0 HB2 MET A 85 -32.021 7.774 8.020 1.00 0.21 H new ATOM 0 HB3 MET A 85 -30.590 8.784 7.966 1.00 0.21 H new ATOM 0 HG2 MET A 85 -31.971 10.457 9.406 1.00 0.21 H new ATOM 0 HG3 MET A 85 -33.053 9.108 9.687 1.00 0.21 H new ATOM 0 HE1 MET A 85 -28.608 9.286 10.900 1.00 0.19 H new ATOM 0 HE2 MET A 85 -29.359 9.939 9.424 1.00 0.19 H new ATOM 0 HE3 MET A 85 -29.591 10.768 10.982 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.715 9.982 4.579 1.00 0.26 N ATOM 1334 CA GLU A 86 -31.067 9.695 3.294 1.00 0.31 C ATOM 1335 C GLU A 86 -29.534 9.736 3.429 1.00 0.31 C ATOM 1336 O GLU A 86 -28.940 10.807 3.499 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.562 10.687 2.220 1.00 0.40 C ATOM 1338 CG GLU A 86 -33.056 10.578 1.862 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.388 9.371 0.976 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -32.772 8.301 1.178 1.00 1.53 O ATOM 1341 OE2 GLU A 86 -34.244 9.544 0.080 1.00 1.35 O ATOM 0 H GLU A 86 -32.154 10.902 4.620 1.00 0.26 H new ATOM 0 HA GLU A 86 -31.339 8.687 2.982 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.361 11.701 2.566 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -30.976 10.537 1.313 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.638 10.514 2.782 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.366 11.490 1.351 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.868 8.585 3.583 1.00 0.36 N ATOM 1349 CA GLY A 87 -27.395 8.517 3.664 1.00 0.43 C ATOM 1350 C GLY A 87 -26.779 9.193 4.905 1.00 0.50 C ATOM 1351 O GLY A 87 -25.755 9.857 4.808 1.00 1.05 O ATOM 0 H GLY A 87 -29.327 7.677 3.655 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -27.093 7.470 3.652 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.975 8.980 2.771 1.00 0.43 H new ATOM 1355 N GLY A 88 -27.460 9.134 6.056 1.00 0.30 N ATOM 1356 CA GLY A 88 -27.141 9.884 7.276 1.00 0.25 C ATOM 1357 C GLY A 88 -27.667 11.325 7.322 1.00 0.24 C ATOM 1358 O GLY A 88 -27.613 11.937 8.388 1.00 0.36 O ATOM 0 H GLY A 88 -28.281 8.539 6.167 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -27.544 9.341 8.131 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -26.058 9.907 7.395 1.00 0.25 H new ATOM 1362 N LYS A 89 -28.263 11.823 6.233 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.773 13.221 6.051 1.00 0.18 C ATOM 1364 C LYS A 89 -30.207 13.242 6.424 1.00 0.15 C ATOM 1365 O LYS A 89 -30.954 12.467 5.794 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.621 13.753 4.585 1.00 0.22 C ATOM 1367 CG LYS A 89 -27.244 13.486 3.913 1.00 0.26 C ATOM 1368 CD LYS A 89 -27.221 13.860 2.461 1.00 0.60 C ATOM 1369 CE LYS A 89 -28.099 15.139 2.024 1.00 1.62 C ATOM 1370 NZ LYS A 89 -27.533 15.825 0.841 1.00 2.70 N ATOM 0 H LYS A 89 -28.419 11.249 5.405 1.00 0.19 H new ATOM 0 HA LYS A 89 -28.174 13.874 6.686 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -29.399 13.300 3.971 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -28.802 14.828 4.587 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -26.473 14.048 4.440 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -26.994 12.430 4.015 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -26.186 14.045 2.175 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -27.562 13.001 1.884 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -29.118 14.821 1.805 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -28.156 15.840 2.856 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -27.346 16.821 1.074 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -26.645 15.361 0.563 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -28.211 15.775 0.054 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.560 13.943 7.469 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.956 14.022 7.819 1.00 0.15 C ATOM 1386 C LEU A 90 -32.678 15.005 6.861 1.00 0.15 C ATOM 1387 O LEU A 90 -32.023 15.870 6.279 1.00 0.19 O ATOM 1388 CB LEU A 90 -32.013 14.387 9.282 1.00 0.18 C ATOM 1389 CG LEU A 90 -31.345 13.453 10.309 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.632 14.236 11.414 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -32.405 12.603 10.989 1.00 0.18 C ATOM 0 H LEU A 90 -29.922 14.455 8.079 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.490 13.080 7.694 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.564 15.374 9.393 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -33.063 14.482 9.557 1.00 0.18 H new ATOM 0 HG LEU A 90 -30.622 12.847 9.763 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -30.175 13.539 12.117 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.859 14.866 10.973 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -31.353 14.861 11.940 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.931 11.943 11.715 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -33.119 13.250 11.499 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -32.927 12.005 10.242 1.00 0.18 H new ATOM 1403 N VAL A 91 -33.981 14.811 6.614 1.00 0.15 N ATOM 1404 CA VAL A 91 -34.815 15.365 5.594 1.00 0.16 C ATOM 1405 C VAL A 91 -36.324 15.313 6.007 1.00 0.16 C ATOM 1406 O VAL A 91 -36.763 14.384 6.697 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.639 14.647 4.249 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -33.585 13.438 4.298 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -35.983 14.229 3.513 1.00 0.23 C ATOM 0 H VAL A 91 -34.519 14.182 7.210 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.504 16.403 5.476 1.00 0.16 H new ATOM 0 HB VAL A 91 -34.208 15.426 3.620 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -33.513 12.978 3.312 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -32.607 13.819 4.593 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -33.918 12.694 5.022 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.744 13.730 2.574 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.551 13.551 4.150 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -36.578 15.119 3.309 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.152 16.291 5.637 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.623 16.207 5.837 1.00 0.17 C ATOM 1421 C VAL A 92 -39.317 16.478 4.513 1.00 0.17 C ATOM 1422 O VAL A 92 -38.717 17.097 3.628 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.137 17.196 6.903 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -38.824 16.664 8.301 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.594 18.621 6.760 1.00 0.65 C ATOM 0 H VAL A 92 -36.841 17.156 5.196 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.851 15.204 6.197 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.213 17.267 6.746 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.190 17.368 9.049 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.312 15.700 8.441 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -37.746 16.545 8.412 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.007 19.249 7.550 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.507 18.606 6.839 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -38.881 19.024 5.789 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.573 16.028 4.367 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.351 16.279 3.178 1.00 0.21 C ATOM 1437 C ASN A 93 -42.740 16.661 3.696 1.00 0.22 C ATOM 1438 O ASN A 93 -43.221 16.079 4.650 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.350 14.982 2.347 1.00 0.30 C ATOM 1440 CG ASN A 93 -39.920 14.545 1.988 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -39.274 15.349 1.351 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -39.418 13.411 2.523 1.00 1.06 N ATOM 0 H ASN A 93 -41.063 15.483 5.077 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.971 17.072 2.534 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -41.844 14.189 2.908 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -41.926 15.133 1.434 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -38.431 13.184 2.402 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -40.026 12.782 3.048 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.377 17.649 3.092 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.663 18.195 3.537 1.00 0.19 C ATOM 1451 C PHE A 94 -45.242 18.813 2.247 1.00 0.22 C ATOM 1452 O PHE A 94 -44.451 19.165 1.365 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.334 19.278 4.587 1.00 0.20 C ATOM 1454 CG PHE A 94 -45.354 19.487 5.689 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -45.767 18.403 6.485 1.00 0.21 C ATOM 1456 CD2 PHE A 94 -45.812 20.786 5.987 1.00 0.17 C ATOM 1457 CE1 PHE A 94 -46.660 18.605 7.552 1.00 0.21 C ATOM 1458 CE2 PHE A 94 -46.698 20.994 7.056 1.00 0.17 C ATOM 1459 CZ PHE A 94 -47.129 19.903 7.835 1.00 0.20 C ATOM 0 H PHE A 94 -43.012 18.110 2.258 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.359 17.485 3.984 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -43.380 19.025 5.049 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -44.195 20.226 4.067 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -45.396 17.411 6.275 1.00 0.21 H new ATOM 0 HD2 PHE A 94 -45.481 21.624 5.391 1.00 0.17 H new ATOM 0 HE1 PHE A 94 -46.985 17.768 8.152 1.00 0.21 H new ATOM 0 HE2 PHE A 94 -47.049 21.990 7.281 1.00 0.17 H new ATOM 0 HZ PHE A 94 -47.820 20.061 8.650 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.546 19.152 2.176 1.00 0.25 N ATOM 1470 CA PRO A 95 -47.186 19.633 0.940 1.00 0.29 C ATOM 1471 C PRO A 95 -46.532 20.850 0.263 1.00 0.30 C ATOM 1472 O PRO A 95 -46.559 20.952 -0.959 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.637 19.932 1.335 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.897 18.924 2.455 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.557 18.882 3.188 1.00 0.32 C ATOM 0 HA PRO A 95 -47.085 18.864 0.174 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.759 20.959 1.679 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -49.321 19.792 0.498 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.707 19.246 3.110 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -49.175 17.946 2.063 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.523 19.626 3.984 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.395 17.910 3.653 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.911 21.743 1.039 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.187 22.902 0.570 1.00 0.45 C ATOM 1485 C ASN A 96 -43.678 22.810 0.836 1.00 0.50 C ATOM 1486 O ASN A 96 -43.025 23.807 0.574 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.806 24.159 1.220 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.600 24.232 2.727 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.683 23.243 3.441 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -45.498 25.415 3.287 1.00 0.77 N ATOM 0 H ASN A 96 -45.906 21.663 2.056 1.00 0.33 H new ATOM 0 HA ASN A 96 -45.283 22.959 -0.514 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -45.372 25.047 0.759 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -46.875 24.179 1.007 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -45.489 25.499 4.303 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -45.428 26.250 2.706 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.126 21.757 1.461 1.00 0.26 N ATOM 1498 CA TYR A 97 -41.797 21.858 2.082 1.00 0.23 C ATOM 1499 C TYR A 97 -40.879 20.637 1.919 1.00 0.20 C ATOM 1500 O TYR A 97 -41.331 19.491 1.944 1.00 0.22 O ATOM 1501 CB TYR A 97 -41.932 22.271 3.561 1.00 0.24 C ATOM 1502 CG TYR A 97 -40.600 22.567 4.215 1.00 0.22 C ATOM 1503 CD1 TYR A 97 -39.810 23.570 3.645 1.00 0.19 C ATOM 1504 CD2 TYR A 97 -40.134 21.857 5.341 1.00 0.26 C ATOM 1505 CE1 TYR A 97 -38.571 23.907 4.192 1.00 0.19 C ATOM 1506 CE2 TYR A 97 -38.874 22.188 5.892 1.00 0.27 C ATOM 1507 CZ TYR A 97 -38.100 23.225 5.316 1.00 0.23 C ATOM 1508 OH TYR A 97 -36.892 23.573 5.809 1.00 0.26 O ATOM 0 H TYR A 97 -43.570 20.843 1.549 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.282 22.636 1.519 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.569 23.153 3.630 1.00 0.24 H new ATOM 0 HB3 TYR A 97 -42.432 21.474 4.111 1.00 0.24 H new ATOM 0 HD1 TYR A 97 -40.164 24.092 2.768 1.00 0.19 H new ATOM 0 HD2 TYR A 97 -40.732 21.070 5.777 1.00 0.26 H new ATOM 0 HE1 TYR A 97 -37.978 24.693 3.747 1.00 0.19 H new ATOM 0 HE2 TYR A 97 -38.502 21.650 6.752 1.00 0.27 H new ATOM 0 HH TYR A 97 -36.687 23.020 6.592 1.00 0.26 H new ATOM 1518 N HIS A 98 -39.582 20.866 1.749 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.526 19.857 1.788 1.00 0.18 C ATOM 1520 C HIS A 98 -37.309 20.460 2.482 1.00 0.19 C ATOM 1521 O HIS A 98 -37.088 21.662 2.396 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.204 19.345 0.373 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.082 18.330 0.362 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.160 17.030 0.828 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -35.800 18.539 -0.068 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -35.944 16.463 0.693 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.096 17.369 0.166 1.00 0.34 N ATOM 0 H HIS A 98 -39.220 21.803 1.572 1.00 0.18 H new ATOM 0 HA HIS A 98 -38.855 18.986 2.356 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.099 18.897 -0.059 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -37.932 20.189 -0.261 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -37.992 16.579 1.208 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -35.410 19.445 -0.507 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.691 15.448 0.963 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.520 19.638 3.157 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.197 20.008 3.659 1.00 0.29 C ATOM 1537 C GLN A 99 -34.262 18.825 3.523 1.00 0.20 C ATOM 1538 O GLN A 99 -34.724 17.690 3.418 1.00 0.26 O ATOM 1539 CB GLN A 99 -35.270 20.479 5.120 1.00 0.55 C ATOM 1540 CG GLN A 99 -33.943 21.065 5.670 1.00 0.55 C ATOM 1541 CD GLN A 99 -33.164 20.156 6.597 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -33.159 18.946 6.443 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -32.431 20.708 7.528 1.00 0.42 N ATOM 0 H GLN A 99 -36.782 18.677 3.377 1.00 0.22 H new ATOM 0 HA GLN A 99 -34.815 20.840 3.067 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -36.051 21.235 5.207 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.569 19.638 5.746 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -33.305 21.328 4.826 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -34.167 21.990 6.201 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -32.440 21.721 7.651 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -31.850 20.126 8.131 1.00 0.42 H new ATOM 1552 N THR A 100 -32.970 19.106 3.592 1.00 0.22 N ATOM 1553 CA THR A 100 -31.915 18.110 3.880 1.00 0.21 C ATOM 1554 C THR A 100 -30.773 18.823 4.629 1.00 0.24 C ATOM 1555 O THR A 100 -30.365 19.914 4.230 1.00 0.40 O ATOM 1556 CB THR A 100 -31.291 17.520 2.601 1.00 0.22 C ATOM 1557 OG1 THR A 100 -31.449 18.343 1.470 1.00 0.26 O ATOM 1558 CG2 THR A 100 -31.929 16.207 2.169 1.00 0.21 C ATOM 0 H THR A 100 -32.604 20.047 3.449 1.00 0.22 H new ATOM 0 HA THR A 100 -32.377 17.307 4.454 1.00 0.21 H new ATOM 0 HB THR A 100 -30.246 17.403 2.888 1.00 0.22 H new ATOM 0 HG1 THR A 100 -31.031 17.915 0.693 1.00 0.26 H new ATOM 0 HG21 THR A 100 -31.442 15.847 1.262 1.00 0.21 H new ATOM 0 HG22 THR A 100 -31.812 15.468 2.961 1.00 0.21 H new ATOM 0 HG23 THR A 100 -32.990 16.365 1.973 1.00 0.21 H new ATOM 1566 N SER A 101 -30.128 18.132 5.584 1.00 0.21 N ATOM 1567 CA SER A 101 -28.923 18.572 6.339 1.00 0.27 C ATOM 1568 C SER A 101 -27.728 17.614 6.216 1.00 0.27 C ATOM 1569 O SER A 101 -27.918 16.401 6.308 1.00 0.46 O ATOM 1570 CB SER A 101 -29.230 18.687 7.836 1.00 0.42 C ATOM 1571 OG SER A 101 -29.752 19.948 8.192 1.00 1.24 O ATOM 0 H SER A 101 -30.441 17.205 5.871 1.00 0.21 H new ATOM 0 HA SER A 101 -28.659 19.532 5.896 1.00 0.27 H new ATOM 0 HB2 SER A 101 -29.943 17.912 8.117 1.00 0.42 H new ATOM 0 HB3 SER A 101 -28.318 18.503 8.404 1.00 0.42 H new ATOM 0 HG SER A 101 -30.179 19.889 9.072 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.487 18.122 6.231 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.252 17.289 6.063 1.00 0.27 C ATOM 1579 C GLU A 102 -23.899 17.891 6.566 1.00 0.20 C ATOM 1580 O GLU A 102 -23.753 19.104 6.713 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.104 16.850 4.592 1.00 0.43 C ATOM 1582 CG GLU A 102 -24.922 17.984 3.567 1.00 0.81 C ATOM 1583 CD GLU A 102 -25.279 17.518 2.142 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -24.593 16.626 1.593 1.00 1.55 O ATOM 1585 OE2 GLU A 102 -26.260 18.069 1.594 1.00 1.67 O ATOM 0 H GLU A 102 -26.294 19.116 6.358 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.428 16.446 6.731 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -24.249 16.179 4.518 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -25.987 16.274 4.314 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.551 18.830 3.843 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -23.890 18.334 3.589 1.00 0.81 H new ATOM 1592 N ILE A 103 -22.874 17.049 6.846 1.00 0.19 N ATOM 1593 CA ILE A 103 -21.496 17.412 7.187 1.00 0.21 C ATOM 1594 C ILE A 103 -20.657 17.402 5.855 1.00 0.26 C ATOM 1595 O ILE A 103 -20.657 16.412 5.079 1.00 0.28 O ATOM 1596 CB ILE A 103 -20.708 16.376 8.091 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -21.728 15.863 9.105 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -19.505 17.067 8.668 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -21.180 14.906 10.158 1.00 0.21 C ATOM 0 H ILE A 103 -23.007 16.038 6.836 1.00 0.19 H new ATOM 0 HA ILE A 103 -21.590 18.360 7.718 1.00 0.21 H new ATOM 0 HB ILE A 103 -20.304 15.513 7.561 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -22.172 16.719 9.613 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -22.531 15.361 8.565 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -18.950 16.369 9.294 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -18.864 17.418 7.859 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -19.827 17.917 9.270 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -21.985 14.602 10.827 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -20.763 14.026 9.668 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -20.399 15.405 10.732 1.00 0.21 H new ATOM 1611 N VAL A 104 -19.846 18.446 5.661 1.00 0.32 N ATOM 1612 CA VAL A 104 -18.870 18.590 4.572 1.00 0.41 C ATOM 1613 C VAL A 104 -17.474 18.847 5.155 1.00 0.48 C ATOM 1614 O VAL A 104 -17.042 19.989 5.346 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.320 19.643 3.535 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.362 19.703 2.337 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -20.725 19.336 2.993 1.00 0.45 C ATOM 0 H VAL A 104 -19.851 19.252 6.286 1.00 0.32 H new ATOM 0 HA VAL A 104 -18.813 17.656 4.013 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.321 20.599 4.059 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.711 20.455 1.629 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.363 19.967 2.683 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.331 18.730 1.847 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -21.009 20.097 2.266 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.724 18.358 2.512 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.440 19.335 3.816 1.00 0.45 H new ATOM 1627 N GLY A 105 -16.824 17.764 5.593 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.555 17.800 6.321 1.00 0.63 C ATOM 1629 C GLY A 105 -15.704 18.430 7.708 1.00 0.59 C ATOM 1630 O GLY A 105 -16.311 17.833 8.592 1.00 0.68 O ATOM 0 H GLY A 105 -17.175 16.817 5.447 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.168 16.786 6.424 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -14.822 18.364 5.744 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.267 19.685 7.844 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.428 20.503 9.062 1.00 0.50 C ATOM 1636 C ASP A 106 -16.531 21.586 8.997 1.00 0.40 C ATOM 1637 O ASP A 106 -16.771 22.330 9.957 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.078 21.124 9.485 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.142 20.204 10.274 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -12.899 19.024 9.950 1.00 2.30 O ATOM 1641 OD2 ASP A 106 -12.627 20.722 11.286 1.00 2.11 O ATOM 0 H ASP A 106 -14.779 20.177 7.096 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.774 19.802 9.822 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -13.557 21.460 8.589 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.279 22.010 10.087 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.118 21.775 7.807 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.179 22.746 7.518 1.00 0.25 C ATOM 1648 C LYS A 107 -19.525 22.033 7.494 1.00 0.23 C ATOM 1649 O LYS A 107 -19.604 20.886 7.064 1.00 0.30 O ATOM 1650 CB LYS A 107 -17.907 23.443 6.175 1.00 0.28 C ATOM 1651 CG LYS A 107 -16.523 24.110 6.064 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.257 25.227 7.088 1.00 1.21 C ATOM 1653 CE LYS A 107 -17.222 26.415 6.981 1.00 1.65 C ATOM 1654 NZ LYS A 107 -17.127 27.111 5.670 1.00 2.27 N ATOM 0 H LYS A 107 -16.854 21.231 6.985 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.198 23.508 8.297 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -18.007 22.710 5.374 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -18.674 24.200 6.012 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -15.756 23.343 6.177 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -16.415 24.523 5.061 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -16.323 24.808 8.092 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -15.237 25.588 6.959 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -18.243 26.064 7.129 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -17.010 27.124 7.781 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -17.786 27.915 5.655 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -16.156 27.457 5.530 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -17.372 26.449 4.907 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.548 22.713 7.850 1.00 0.20 N ATOM 1669 CA LEU A 108 -21.764 22.011 8.055 1.00 0.19 C ATOM 1670 C LEU A 108 -22.776 22.707 7.168 1.00 0.20 C ATOM 1671 O LEU A 108 -22.687 23.930 7.056 1.00 0.24 O ATOM 1672 CB LEU A 108 -21.938 22.087 9.551 1.00 0.22 C ATOM 1673 CG LEU A 108 -21.099 21.255 10.541 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -21.258 19.757 10.339 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -19.609 21.528 10.580 1.00 0.60 C ATOM 0 H LEU A 108 -20.576 23.721 8.003 1.00 0.20 H new ATOM 0 HA LEU A 108 -21.841 20.959 7.780 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -21.793 23.132 9.826 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -22.982 21.846 9.753 1.00 0.22 H new ATOM 0 HG LEU A 108 -21.522 21.591 11.488 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -20.643 19.225 11.065 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -22.303 19.480 10.476 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -20.942 19.490 9.331 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -19.139 20.877 11.317 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -19.178 21.335 9.598 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -19.437 22.569 10.854 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.505 21.972 6.330 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.289 22.482 5.223 1.00 0.22 C ATOM 1689 C VAL A 109 -25.817 22.092 5.386 1.00 0.22 C ATOM 1690 O VAL A 109 -26.157 20.986 5.845 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.709 21.969 3.888 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -24.517 22.382 2.690 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -22.270 22.466 3.667 1.00 0.87 C ATOM 0 H VAL A 109 -23.563 20.957 6.415 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.234 23.571 5.221 1.00 0.22 H new ATOM 0 HB VAL A 109 -23.735 20.883 3.976 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -24.054 21.988 1.785 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -25.529 21.988 2.780 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.555 23.470 2.634 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -21.895 22.085 2.717 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -22.260 23.556 3.650 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.634 22.110 4.477 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.724 22.996 5.079 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.138 22.660 5.141 1.00 0.25 C ATOM 1705 C GLU A 110 -28.884 23.400 4.089 1.00 0.28 C ATOM 1706 O GLU A 110 -28.928 24.620 4.108 1.00 0.52 O ATOM 1707 CB GLU A 110 -28.705 22.975 6.511 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.231 22.987 6.581 1.00 0.52 C ATOM 1709 CD GLU A 110 -30.693 23.291 7.998 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -29.857 23.773 8.800 1.00 2.06 O ATOM 1711 OE2 GLU A 110 -31.926 23.380 8.181 1.00 2.07 O ATOM 0 H GLU A 110 -26.518 23.952 4.789 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.248 21.590 4.965 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -28.328 22.241 7.223 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.332 23.949 6.829 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.627 23.735 5.894 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.624 22.021 6.263 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.649 22.659 3.320 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.277 23.149 2.129 1.00 0.21 C ATOM 1720 C VAL A 111 -31.773 22.744 2.143 1.00 0.20 C ATOM 1721 O VAL A 111 -32.071 21.563 2.330 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.552 22.607 0.884 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.535 21.058 0.772 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.028 23.312 -0.372 1.00 0.25 C ATOM 0 H VAL A 111 -29.852 21.679 3.515 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.213 24.237 2.093 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.497 22.853 1.008 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.004 20.764 -0.134 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.030 20.636 1.641 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.558 20.685 0.730 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.500 22.910 -1.237 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.099 23.153 -0.495 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -29.827 24.380 -0.288 1.00 0.25 H new ATOM 1734 N SER A 112 -32.705 23.661 1.932 1.00 0.19 N ATOM 1735 CA SER A 112 -34.138 23.351 1.997 1.00 0.20 C ATOM 1736 C SER A 112 -34.942 24.075 0.934 1.00 0.17 C ATOM 1737 O SER A 112 -34.438 24.993 0.308 1.00 0.17 O ATOM 1738 CB SER A 112 -34.674 23.566 3.416 1.00 0.27 C ATOM 1739 OG SER A 112 -34.370 24.827 3.959 1.00 0.87 O ATOM 0 H SER A 112 -32.499 24.635 1.712 1.00 0.19 H new ATOM 0 HA SER A 112 -34.261 22.293 1.766 1.00 0.20 H new ATOM 0 HB2 SER A 112 -35.756 23.437 3.408 1.00 0.27 H new ATOM 0 HB3 SER A 112 -34.266 22.794 4.068 1.00 0.27 H new ATOM 0 HG SER A 112 -35.162 25.402 3.915 1.00 0.87 H new ATOM 1745 N THR A 113 -36.153 23.599 0.645 1.00 0.17 N ATOM 1746 CA THR A 113 -37.010 24.116 -0.426 1.00 0.15 C ATOM 1747 C THR A 113 -38.443 24.237 0.095 1.00 0.13 C ATOM 1748 O THR A 113 -39.079 23.219 0.354 1.00 0.14 O ATOM 1749 CB THR A 113 -36.938 23.226 -1.678 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.645 23.294 -2.239 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.892 23.655 -2.790 1.00 0.17 C ATOM 0 H THR A 113 -36.576 22.826 1.159 1.00 0.17 H new ATOM 0 HA THR A 113 -36.656 25.103 -0.724 1.00 0.15 H new ATOM 0 HB THR A 113 -37.207 22.227 -1.335 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.604 22.724 -3.035 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.786 22.982 -3.641 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.918 23.618 -2.424 1.00 0.17 H new ATOM 0 HG23 THR A 113 -37.654 24.672 -3.101 1.00 0.17 H new ATOM 1759 N ILE A 114 -38.987 25.454 0.171 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.425 25.701 0.368 1.00 0.12 C ATOM 1761 C ILE A 114 -41.031 26.095 -0.967 1.00 0.14 C ATOM 1762 O ILE A 114 -40.600 27.064 -1.570 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.737 26.829 1.377 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -39.929 26.762 2.677 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.245 26.844 1.700 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -39.758 28.135 3.300 1.00 0.27 C ATOM 0 H ILE A 114 -38.437 26.310 0.097 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.846 24.780 0.772 1.00 0.12 H new ATOM 0 HB ILE A 114 -40.436 27.755 0.886 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -40.430 26.101 3.384 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -38.949 26.329 2.475 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.457 27.642 2.412 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -42.811 27.015 0.785 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.534 25.886 2.132 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -39.180 28.048 4.220 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -39.234 28.788 2.603 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -40.737 28.557 3.526 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.061 25.414 -1.448 1.00 0.16 N ATOM 1779 CA GLY A 115 -42.951 25.934 -2.517 1.00 0.19 C ATOM 1780 C GLY A 115 -42.324 25.808 -3.876 1.00 0.21 C ATOM 1781 O GLY A 115 -42.943 26.189 -4.840 1.00 0.29 O ATOM 0 H GLY A 115 -42.317 24.483 -1.119 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.895 25.390 -2.501 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.183 26.981 -2.320 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.117 25.267 -3.893 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.179 25.239 -5.007 1.00 0.19 C ATOM 1787 C GLY A 116 -39.153 26.289 -4.953 1.00 0.18 C ATOM 1788 O GLY A 116 -38.479 26.555 -5.931 1.00 0.21 O ATOM 0 H GLY A 116 -40.738 24.801 -3.069 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.687 24.266 -5.030 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.735 25.337 -5.939 1.00 0.19 H new ATOM 1792 N VAL A 117 -39.002 27.048 -3.858 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.904 28.021 -3.643 1.00 0.15 C ATOM 1794 C VAL A 117 -36.938 27.601 -2.534 1.00 0.14 C ATOM 1795 O VAL A 117 -37.376 27.002 -1.564 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.411 29.479 -3.554 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.660 29.967 -2.121 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.412 30.434 -4.218 1.00 0.16 C ATOM 0 H VAL A 117 -39.653 27.006 -3.074 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.288 28.004 -4.542 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.369 29.481 -4.074 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -39.014 30.998 -2.144 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.412 29.336 -1.647 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.732 29.914 -1.552 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.784 31.456 -4.147 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.449 30.362 -3.713 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -37.292 30.164 -5.267 1.00 0.16 H new ATOM 1808 N THR A 118 -35.633 27.798 -2.729 1.00 0.13 N ATOM 1809 CA THR A 118 -34.508 27.074 -2.131 1.00 0.14 C ATOM 1810 C THR A 118 -33.598 27.894 -1.268 1.00 0.18 C ATOM 1811 O THR A 118 -33.367 29.067 -1.590 1.00 0.26 O ATOM 1812 CB THR A 118 -33.702 26.384 -3.209 1.00 0.20 C ATOM 1813 OG1 THR A 118 -34.607 25.562 -3.963 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.570 25.565 -2.652 1.00 0.27 C ATOM 0 H THR A 118 -35.308 28.529 -3.362 1.00 0.13 H new ATOM 0 HA THR A 118 -34.968 26.351 -1.458 1.00 0.14 H new ATOM 0 HB THR A 118 -33.235 27.136 -3.845 1.00 0.20 H new ATOM 0 HG1 THR A 118 -34.947 24.841 -3.392 1.00 0.26 H new ATOM 0 HG21 THR A 118 -32.026 25.093 -3.470 1.00 0.27 H new ATOM 0 HG22 THR A 118 -31.894 26.212 -2.092 1.00 0.27 H new ATOM 0 HG23 THR A 118 -32.968 24.796 -1.990 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.273 27.385 -0.109 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.435 27.970 0.894 1.00 0.24 C ATOM 1824 C TYR A 119 -31.249 27.048 1.125 1.00 0.23 C ATOM 1825 O TYR A 119 -31.343 25.845 0.918 1.00 0.29 O ATOM 1826 CB TYR A 119 -33.308 28.219 2.121 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.588 28.685 3.350 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -31.925 27.747 4.157 1.00 0.44 C ATOM 1829 CD2 TYR A 119 -32.548 30.056 3.651 1.00 0.27 C ATOM 1830 CE1 TYR A 119 -31.152 28.196 5.233 1.00 0.51 C ATOM 1831 CE2 TYR A 119 -31.783 30.505 4.737 1.00 0.33 C ATOM 1832 CZ TYR A 119 -31.069 29.575 5.510 1.00 0.44 C ATOM 1833 OH TYR A 119 -30.249 30.010 6.487 1.00 0.60 O ATOM 0 H TYR A 119 -33.621 26.470 0.178 1.00 0.18 H new ATOM 0 HA TYR A 119 -32.010 28.931 0.606 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -34.063 28.961 1.862 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.837 27.297 2.360 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -32.011 26.691 3.949 1.00 0.44 H new ATOM 0 HD2 TYR A 119 -33.103 30.761 3.050 1.00 0.27 H new ATOM 0 HE1 TYR A 119 -30.620 27.487 5.850 1.00 0.51 H new ATOM 0 HE2 TYR A 119 -31.743 31.557 4.977 1.00 0.33 H new ATOM 0 HH TYR A 119 -30.306 30.986 6.551 1.00 0.60 H new ATOM 1843 N GLU A 120 -30.145 27.610 1.556 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.955 26.918 1.989 1.00 0.38 C ATOM 1845 C GLU A 120 -28.350 27.697 3.118 1.00 0.55 C ATOM 1846 O GLU A 120 -28.376 28.960 3.056 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.001 26.900 0.806 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.687 26.051 1.014 1.00 0.57 C ATOM 1849 CD GLU A 120 -25.766 26.150 -0.178 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -26.116 25.426 -1.158 1.00 0.73 O ATOM 1851 OE2 GLU A 120 -24.774 26.930 -0.247 1.00 0.88 O ATOM 0 H GLU A 120 -30.048 28.624 1.617 1.00 0.33 H new ATOM 0 HA GLU A 120 -29.167 25.903 2.324 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -28.532 26.511 -0.062 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -27.718 27.926 0.573 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.166 26.398 1.906 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -26.951 25.007 1.185 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.739 27.027 4.095 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.837 27.740 5.031 1.00 0.74 C ATOM 1860 C ARG A 121 -25.592 26.876 5.200 1.00 0.44 C ATOM 1861 O ARG A 121 -25.567 25.711 4.692 1.00 0.31 O ATOM 1862 CB ARG A 121 -27.477 28.013 6.411 1.00 1.17 C ATOM 1863 CG ARG A 121 -28.020 26.728 7.068 1.00 2.28 C ATOM 1864 CD ARG A 121 -28.698 26.916 8.438 1.00 3.33 C ATOM 1865 NE ARG A 121 -30.026 27.608 8.362 1.00 4.09 N ATOM 1866 CZ ARG A 121 -31.171 27.144 8.888 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -31.253 25.948 9.474 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -32.218 27.972 9.000 1.00 6.09 N ATOM 0 H ARG A 121 -27.839 26.026 4.266 1.00 0.54 H new ATOM 0 HA ARG A 121 -26.605 28.719 4.612 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -26.737 28.470 7.068 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -28.289 28.731 6.297 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -28.737 26.269 6.388 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -27.196 26.025 7.184 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -28.833 25.940 8.904 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -28.035 27.490 9.086 1.00 3.33 H new ATOM 0 HE ARG A 121 -30.063 28.502 7.872 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -30.428 25.352 9.534 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -32.141 25.630 9.862 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -32.139 28.940 8.688 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -33.095 27.635 9.397 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.547 27.483 5.762 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.240 26.894 6.058 1.00 0.38 C ATOM 1884 C VAL A 122 -22.686 27.423 7.390 1.00 0.34 C ATOM 1885 O VAL A 122 -23.123 28.467 7.881 1.00 0.42 O ATOM 1886 CB VAL A 122 -22.268 27.020 4.861 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -21.836 28.462 4.576 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -20.983 26.195 5.045 1.00 0.89 C ATOM 0 H VAL A 122 -24.593 28.463 6.041 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.364 25.820 6.199 1.00 0.38 H new ATOM 0 HB VAL A 122 -22.848 26.636 4.022 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -21.155 28.476 3.725 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -22.714 29.067 4.349 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -21.331 28.870 5.451 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -20.341 26.323 4.174 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -20.457 26.535 5.937 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -21.240 25.141 5.155 1.00 0.89 H new ATOM 1898 N SER A 123 -21.804 26.664 8.050 1.00 0.27 N ATOM 1899 CA SER A 123 -21.374 26.871 9.357 1.00 0.28 C ATOM 1900 C SER A 123 -20.060 26.179 9.651 1.00 0.27 C ATOM 1901 O SER A 123 -19.765 25.171 9.082 1.00 0.36 O ATOM 1902 CB SER A 123 -22.447 26.321 10.312 1.00 0.31 C ATOM 1903 OG SER A 123 -21.998 26.016 11.605 1.00 1.13 O ATOM 0 H SER A 123 -21.369 25.847 7.621 1.00 0.27 H new ATOM 0 HA SER A 123 -21.220 27.941 9.495 1.00 0.28 H new ATOM 0 HB2 SER A 123 -23.252 27.052 10.388 1.00 0.31 H new ATOM 0 HB3 SER A 123 -22.875 25.420 9.872 1.00 0.31 H new ATOM 0 HG SER A 123 -21.552 26.799 11.990 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.423 26.705 10.692 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.088 26.157 11.009 1.00 0.28 C ATOM 1911 C LYS A 124 -18.129 25.560 12.410 1.00 0.25 C ATOM 1912 O LYS A 124 -18.891 26.039 13.237 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.011 27.230 10.815 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.078 28.385 11.850 1.00 0.44 C ATOM 1915 CD LYS A 124 -16.552 29.740 11.359 1.00 0.83 C ATOM 1916 CE LYS A 124 -16.976 30.816 12.368 1.00 1.29 C ATOM 1917 NZ LYS A 124 -16.359 32.142 12.075 1.00 1.76 N ATOM 0 H LYS A 124 -19.766 27.452 11.296 1.00 0.26 H new ATOM 0 HA LYS A 124 -17.818 25.353 10.324 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.029 26.760 10.873 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.105 27.648 9.813 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -18.114 28.509 12.164 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -16.510 28.092 12.733 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -15.466 29.714 11.265 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -16.952 29.967 10.371 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -18.062 30.913 12.358 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -16.694 30.500 13.372 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -16.339 32.715 12.943 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -15.388 32.004 11.729 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -16.919 32.633 11.349 1.00 1.76 H new ATOM 1931 N ARG A 125 -17.475 24.405 12.615 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.418 23.699 13.914 1.00 0.21 C ATOM 1933 C ARG A 125 -16.313 24.238 14.812 1.00 0.23 C ATOM 1934 O ARG A 125 -15.257 24.611 14.315 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.265 22.181 13.714 1.00 0.26 C ATOM 1936 CG ARG A 125 -15.958 21.652 13.101 1.00 0.40 C ATOM 1937 CD ARG A 125 -14.907 21.216 14.136 1.00 0.65 C ATOM 1938 NE ARG A 125 -14.275 20.168 13.397 1.00 1.02 N ATOM 1939 CZ ARG A 125 -14.169 18.865 13.659 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -14.887 18.306 14.596 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -13.616 18.080 12.790 1.00 2.00 N ATOM 0 H ARG A 125 -16.962 23.925 11.875 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.366 23.886 14.418 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -17.393 21.704 14.686 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.088 21.845 13.083 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.189 20.805 12.456 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -15.527 22.427 12.467 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -14.218 22.019 14.398 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -15.354 20.863 15.065 1.00 0.65 H new ATOM 0 HE ARG A 125 -13.833 20.466 12.527 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -15.541 18.868 15.141 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -14.793 17.308 14.783 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -13.264 18.459 11.911 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -13.532 17.082 12.985 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.483 24.056 16.124 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.388 24.318 17.047 1.00 0.28 C ATOM 1957 C LEU A 126 -15.552 23.521 18.304 1.00 0.31 C ATOM 1958 O LEU A 126 -14.815 23.758 19.332 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.088 25.854 17.381 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.049 26.736 18.142 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -17.424 26.902 17.530 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -16.119 26.505 19.623 1.00 0.30 C ATOM 0 H LEU A 126 -17.348 23.736 16.559 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.502 23.992 16.502 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.149 25.872 17.934 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -14.906 26.348 16.426 1.00 0.30 H new ATOM 0 HG LEU A 126 -15.559 27.702 18.021 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.027 27.555 18.161 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.330 27.343 16.538 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -17.907 25.928 17.450 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -16.840 27.193 20.065 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -16.431 25.479 19.817 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -15.137 26.675 20.065 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.353 22.438 18.328 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.276 21.471 19.378 1.00 0.44 C ATOM 1976 C ALA A 127 -15.156 20.405 19.038 1.00 0.71 C ATOM 1977 O ALA A 127 -15.131 19.849 17.903 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.611 20.730 19.564 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.299 20.104 19.869 1.00 30.00 O ATOM 0 H ALA A 127 -17.055 22.233 17.617 1.00 0.40 H new ATOM 0 HA ALA A 127 -16.038 22.003 20.299 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.514 20.003 20.370 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.393 21.447 19.813 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -17.873 20.214 18.640 1.00 0.44 H new