USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 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: B 12 HIS : no HD1:sc= -2.04 K(o=-4.8,f=-6.2) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -0.918 K(o=-4.8,f=-5.9!) USER MOD Set 1.3: B 40 CYS SG : rot 160:sc= -0.5 USER MOD Set 1.4: B 43 CYS SG : rot 39:sc= -1.35 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -1.79 K(o=-4.5,f=-5.1) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.783 K(o=-4.5,f=-5.7!) USER MOD Set 2.3: A 40 CYS SG : rot 150:sc= -0.492 USER MOD Set 2.4: A 43 CYS SG : rot 44:sc= -1.44 USER MOD Single : A 1 PHE N :NH3+ 179:sc= 0.51 (180deg=0.499) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.13 (180deg=-0.769) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -60:sc= 1.07 USER MOD Single : A 18 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.221 (180deg=-1.25) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0598 K(o=-0.06,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.0791 (180deg=-0.546) USER MOD Single : A 39 SER OG : rot 77:sc= 0.153 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.163 (180deg=-0.754) USER MOD Single : A 44 GLN : amide:sc= -0.121 X(o=-0.12,f=0.049) USER MOD Single : B 1 PHE N :NH3+ 169:sc= 0.613 (180deg=0.413) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -1.08! K(o=-1.1!,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 151:sc= -0.164 (180deg=-0.799) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -85:sc= 1.06 USER MOD Single : B 18 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : B 22 MET CE :methyl -153:sc= -0.16 (180deg=-1.23) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.7!) USER MOD Single : B 34 LYS NZ :NH3+ -159:sc= -0.0246 (180deg=-0.369) USER MOD Single : B 39 SER OG : rot 75:sc= 0.223 USER MOD Single : B 42 LYS NZ :NH3+ -162:sc= -0.113 (180deg=-0.64) USER MOD Single : B 44 GLN : amide:sc= 0.035 X(o=0.035,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.060 -3.485 24.113 1.00 0.00 N ATOM 2 CA PHE A 1 94.524 -4.166 25.330 1.00 0.00 C ATOM 3 C PHE A 1 94.155 -3.123 26.384 1.00 0.00 C ATOM 4 O PHE A 1 93.000 -2.796 26.577 1.00 0.00 O ATOM 5 CB PHE A 1 95.589 -5.112 25.900 1.00 0.00 C ATOM 6 CG PHE A 1 95.695 -6.331 25.018 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.280 -6.218 23.756 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.207 -7.569 25.458 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.382 -7.343 22.930 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.308 -8.693 24.631 1.00 0.00 C ATOM 11 CZ PHE A 1 95.895 -8.580 23.367 1.00 0.00 C ATOM 0 H1 PHE A 1 95.326 -4.199 23.405 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.331 -2.858 23.716 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.897 -2.924 24.370 1.00 0.00 H new ATOM 0 HA PHE A 1 93.636 -4.737 25.060 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.552 -4.604 25.955 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.325 -5.406 26.916 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.654 -5.263 23.417 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.753 -7.655 26.434 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.837 -7.256 21.954 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.933 -9.648 24.969 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.973 -9.447 22.728 1.00 0.00 H new ATOM 23 N LEU A 2 95.134 -2.605 27.069 1.00 0.00 N ATOM 24 CA LEU A 2 94.867 -1.583 28.119 1.00 0.00 C ATOM 25 C LEU A 2 94.207 -0.342 27.515 1.00 0.00 C ATOM 26 O LEU A 2 93.321 0.243 28.103 1.00 0.00 O ATOM 27 CB LEU A 2 96.196 -1.160 28.745 1.00 0.00 C ATOM 28 CG LEU A 2 96.872 -2.366 29.404 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.312 -2.010 29.761 1.00 0.00 C ATOM 30 CD2 LEU A 2 96.125 -2.767 30.686 1.00 0.00 C ATOM 0 H LEU A 2 96.117 -2.848 26.946 1.00 0.00 H new ATOM 0 HA LEU A 2 94.200 -2.017 28.864 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.850 -0.739 27.981 1.00 0.00 H new ATOM 0 HB3 LEU A 2 96.026 -0.378 29.485 1.00 0.00 H new ATOM 0 HG LEU A 2 96.854 -3.201 28.703 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.793 -2.868 30.230 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.855 -1.739 28.856 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.318 -1.168 30.453 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.619 -3.625 31.141 1.00 0.00 H new ATOM 0 HD22 LEU A 2 96.130 -1.932 31.386 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.096 -3.028 30.441 1.00 0.00 H new ATOM 42 N ASP A 3 94.643 0.075 26.360 1.00 0.00 N ATOM 43 CA ASP A 3 94.048 1.298 25.755 1.00 0.00 C ATOM 44 C ASP A 3 92.572 1.076 25.425 1.00 0.00 C ATOM 45 O ASP A 3 91.746 1.940 25.637 1.00 0.00 O ATOM 46 CB ASP A 3 94.799 1.660 24.477 1.00 0.00 C ATOM 47 CG ASP A 3 96.197 2.168 24.833 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.433 2.415 26.004 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.005 2.300 23.932 1.00 0.00 O ATOM 0 H ASP A 3 95.378 -0.373 25.813 1.00 0.00 H new ATOM 0 HA ASP A 3 94.130 2.111 26.476 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.872 0.789 23.826 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.252 2.425 23.925 1.00 0.00 H new ATOM 54 N GLY A 4 92.228 -0.067 24.911 1.00 0.00 N ATOM 55 CA GLY A 4 90.798 -0.322 24.577 1.00 0.00 C ATOM 56 C GLY A 4 89.956 -0.272 25.855 1.00 0.00 C ATOM 57 O GLY A 4 88.811 0.132 25.841 1.00 0.00 O ATOM 0 H GLY A 4 92.869 -0.834 24.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.442 0.423 23.865 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.694 -1.296 24.098 1.00 0.00 H new ATOM 61 N ILE A 5 90.513 -0.693 26.960 1.00 0.00 N ATOM 62 CA ILE A 5 89.746 -0.684 28.242 1.00 0.00 C ATOM 63 C ILE A 5 89.491 0.752 28.703 1.00 0.00 C ATOM 64 O ILE A 5 88.431 1.071 29.206 1.00 0.00 O ATOM 65 CB ILE A 5 90.545 -1.441 29.308 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.507 -2.935 28.985 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.953 -1.201 30.705 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.488 -3.678 29.893 1.00 0.00 C ATOM 0 H ILE A 5 91.468 -1.044 27.031 1.00 0.00 H new ATOM 0 HA ILE A 5 88.783 -1.171 28.088 1.00 0.00 H new ATOM 0 HB ILE A 5 91.574 -1.080 29.305 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.498 -3.323 29.127 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.767 -3.099 27.939 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.536 -1.748 31.446 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.982 -0.136 30.934 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.920 -1.549 30.727 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.461 -4.743 29.663 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.496 -3.297 29.729 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.207 -3.525 30.935 1.00 0.00 H new ATOM 80 N ASP A 6 90.455 1.612 28.565 1.00 0.00 N ATOM 81 CA ASP A 6 90.255 3.009 29.024 1.00 0.00 C ATOM 82 C ASP A 6 89.080 3.623 28.270 1.00 0.00 C ATOM 83 O ASP A 6 88.205 4.229 28.855 1.00 0.00 O ATOM 84 CB ASP A 6 91.518 3.823 28.739 1.00 0.00 C ATOM 85 CG ASP A 6 91.367 5.225 29.326 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.855 6.086 28.630 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.764 5.417 30.465 1.00 0.00 O ATOM 0 H ASP A 6 91.368 1.410 28.157 1.00 0.00 H new ATOM 0 HA ASP A 6 90.049 3.016 30.094 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.387 3.328 29.172 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.689 3.884 27.664 1.00 0.00 H new ATOM 92 N LYS A 7 89.046 3.472 26.977 1.00 0.00 N ATOM 93 CA LYS A 7 87.912 4.047 26.193 1.00 0.00 C ATOM 94 C LYS A 7 86.626 3.271 26.501 1.00 0.00 C ATOM 95 O LYS A 7 85.562 3.842 26.627 1.00 0.00 O ATOM 96 CB LYS A 7 88.209 3.940 24.695 1.00 0.00 C ATOM 97 CG LYS A 7 89.408 4.818 24.326 1.00 0.00 C ATOM 98 CD LYS A 7 89.690 4.700 22.821 1.00 0.00 C ATOM 99 CE LYS A 7 90.897 5.569 22.448 1.00 0.00 C ATOM 100 NZ LYS A 7 91.214 5.395 20.999 1.00 0.00 N ATOM 0 H LYS A 7 89.750 2.978 26.428 1.00 0.00 H new ATOM 0 HA LYS A 7 87.787 5.094 26.468 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.415 2.903 24.432 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.335 4.247 24.121 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.205 5.856 24.588 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.285 4.511 24.896 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.884 3.660 22.559 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.815 5.014 22.252 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.683 6.616 22.660 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.759 5.291 23.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.033 5.986 20.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.436 4.397 20.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.394 5.681 20.427 1.00 0.00 H new ATOM 114 N ALA A 8 86.717 1.974 26.605 1.00 0.00 N ATOM 115 CA ALA A 8 85.502 1.156 26.890 1.00 0.00 C ATOM 116 C ALA A 8 85.023 1.393 28.328 1.00 0.00 C ATOM 117 O ALA A 8 83.856 1.248 28.629 1.00 0.00 O ATOM 118 CB ALA A 8 85.819 -0.328 26.705 1.00 0.00 C ATOM 0 H ALA A 8 87.582 1.443 26.505 1.00 0.00 H new ATOM 0 HA ALA A 8 84.715 1.453 26.197 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.928 -0.919 26.915 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.140 -0.506 25.679 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.616 -0.618 27.390 1.00 0.00 H new ATOM 124 N GLN A 9 85.921 1.727 29.221 1.00 0.00 N ATOM 125 CA GLN A 9 85.518 1.934 30.642 1.00 0.00 C ATOM 126 C GLN A 9 84.456 3.022 30.718 1.00 0.00 C ATOM 127 O GLN A 9 84.525 4.027 30.039 1.00 0.00 O ATOM 128 CB GLN A 9 86.737 2.360 31.471 1.00 0.00 C ATOM 129 CG GLN A 9 86.351 2.366 32.949 1.00 0.00 C ATOM 130 CD GLN A 9 87.543 2.789 33.811 1.00 0.00 C ATOM 131 OE1 GLN A 9 87.380 3.091 34.976 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.741 2.816 33.295 1.00 0.00 N ATOM 0 H GLN A 9 86.913 1.865 29.026 1.00 0.00 H new ATOM 0 HA GLN A 9 85.117 1.001 31.038 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.567 1.674 31.301 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.074 3.351 31.165 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.517 3.049 33.111 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.013 1.374 33.247 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.881 2.563 32.317 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.538 3.090 33.870 1.00 0.00 H new ATOM 141 N GLU A 10 83.464 2.823 31.533 1.00 0.00 N ATOM 142 CA GLU A 10 82.385 3.835 31.650 1.00 0.00 C ATOM 143 C GLU A 10 81.576 3.550 32.916 1.00 0.00 C ATOM 144 O GLU A 10 81.685 2.494 33.507 1.00 0.00 O ATOM 145 CB GLU A 10 81.486 3.750 30.415 1.00 0.00 C ATOM 146 CG GLU A 10 80.548 4.955 30.376 1.00 0.00 C ATOM 147 CD GLU A 10 79.836 4.997 29.025 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.199 4.211 28.166 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.947 5.813 28.871 1.00 0.00 O ATOM 0 H GLU A 10 83.353 2.000 32.125 1.00 0.00 H new ATOM 0 HA GLU A 10 82.808 4.838 31.713 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.095 3.722 29.511 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.907 2.827 30.438 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.818 4.888 31.183 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.112 5.875 30.532 1.00 0.00 H new ATOM 156 N GLU A 11 80.775 4.480 33.344 1.00 0.00 N ATOM 157 CA GLU A 11 79.975 4.253 34.574 1.00 0.00 C ATOM 158 C GLU A 11 79.099 3.020 34.381 1.00 0.00 C ATOM 159 O GLU A 11 78.867 2.575 33.273 1.00 0.00 O ATOM 160 CB GLU A 11 79.082 5.467 34.841 1.00 0.00 C ATOM 161 CG GLU A 11 79.939 6.664 35.267 1.00 0.00 C ATOM 162 CD GLU A 11 80.661 7.237 34.043 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.337 6.829 32.942 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.524 8.077 34.229 1.00 0.00 O ATOM 0 H GLU A 11 80.640 5.386 32.896 1.00 0.00 H new ATOM 0 HA GLU A 11 80.646 4.104 35.420 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.515 5.716 33.944 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.358 5.232 35.621 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.312 7.430 35.724 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.665 6.356 36.019 1.00 0.00 H new ATOM 171 N HIS A 12 78.608 2.460 35.449 1.00 0.00 N ATOM 172 CA HIS A 12 77.750 1.251 35.332 1.00 0.00 C ATOM 173 C HIS A 12 76.418 1.640 34.699 1.00 0.00 C ATOM 174 O HIS A 12 75.390 1.658 35.344 1.00 0.00 O ATOM 175 CB HIS A 12 77.503 0.683 36.721 1.00 0.00 C ATOM 176 CG HIS A 12 76.620 -0.523 36.626 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.119 -1.793 36.356 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.268 -0.677 36.801 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.076 -2.649 36.387 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.929 -2.017 36.651 1.00 0.00 N ATOM 0 H HIS A 12 78.765 2.789 36.402 1.00 0.00 H new ATOM 0 HA HIS A 12 78.244 0.504 34.711 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.451 0.415 37.188 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.037 1.437 37.355 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.574 0.120 37.021 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.158 -3.713 36.219 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.000 -2.431 36.727 1.00 0.00 H new ATOM 188 N GLU A 13 76.440 1.960 33.440 1.00 0.00 N ATOM 189 CA GLU A 13 75.191 2.361 32.744 1.00 0.00 C ATOM 190 C GLU A 13 74.502 1.125 32.172 1.00 0.00 C ATOM 191 O GLU A 13 74.765 0.008 32.571 1.00 0.00 O ATOM 192 CB GLU A 13 75.543 3.310 31.603 1.00 0.00 C ATOM 193 CG GLU A 13 76.140 4.593 32.181 1.00 0.00 C ATOM 194 CD GLU A 13 75.046 5.389 32.896 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.074 5.734 32.247 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.200 5.639 34.079 1.00 0.00 O ATOM 0 H GLU A 13 77.277 1.961 32.858 1.00 0.00 H new ATOM 0 HA GLU A 13 74.522 2.854 33.449 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.255 2.836 30.927 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.653 3.541 31.018 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.943 4.351 32.878 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.579 5.193 31.384 1.00 0.00 H new ATOM 203 N LYS A 14 73.627 1.323 31.231 1.00 0.00 N ATOM 204 CA LYS A 14 72.916 0.177 30.614 1.00 0.00 C ATOM 205 C LYS A 14 73.898 -0.632 29.763 1.00 0.00 C ATOM 206 O LYS A 14 73.739 -1.824 29.578 1.00 0.00 O ATOM 207 CB LYS A 14 71.791 0.699 29.720 1.00 0.00 C ATOM 208 CG LYS A 14 70.713 1.351 30.591 1.00 0.00 C ATOM 209 CD LYS A 14 69.554 1.869 29.720 1.00 0.00 C ATOM 210 CE LYS A 14 68.582 0.728 29.390 1.00 0.00 C ATOM 211 NZ LYS A 14 67.911 0.269 30.637 1.00 0.00 N ATOM 0 H LYS A 14 73.372 2.239 30.860 1.00 0.00 H new ATOM 0 HA LYS A 14 72.500 -0.456 31.397 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.184 1.422 29.006 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.362 -0.119 29.141 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.336 0.628 31.315 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.145 2.175 31.158 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.025 2.666 30.243 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.947 2.299 28.799 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.839 1.067 28.668 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.120 -0.100 28.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.975 -0.120 30.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.488 -0.467 31.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.800 1.073 31.288 1.00 0.00 H new ATOM 225 N TYR A 15 74.911 0.009 29.240 1.00 0.00 N ATOM 226 CA TYR A 15 75.903 -0.715 28.389 1.00 0.00 C ATOM 227 C TYR A 15 76.564 -1.834 29.198 1.00 0.00 C ATOM 228 O TYR A 15 76.853 -2.893 28.673 1.00 0.00 O ATOM 229 CB TYR A 15 76.971 0.271 27.882 1.00 0.00 C ATOM 230 CG TYR A 15 76.428 1.039 26.697 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.716 2.227 26.897 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.631 0.555 25.398 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.203 2.928 25.800 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.122 1.256 24.299 1.00 0.00 C ATOM 235 CZ TYR A 15 75.406 2.443 24.499 1.00 0.00 C ATOM 236 OH TYR A 15 74.895 3.131 23.414 1.00 0.00 O ATOM 0 H TYR A 15 75.095 1.004 29.366 1.00 0.00 H new ATOM 0 HA TYR A 15 75.389 -1.154 27.534 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.251 0.961 28.678 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.873 -0.269 27.596 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.562 2.603 27.898 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.182 -0.361 25.244 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.650 3.843 25.955 1.00 0.00 H new ATOM 0 HE2 TYR A 15 76.281 0.882 23.298 1.00 0.00 H new ATOM 0 HH TYR A 15 75.128 2.658 22.588 1.00 0.00 H new ATOM 246 N HIS A 16 76.811 -1.623 30.461 1.00 0.00 N ATOM 247 CA HIS A 16 77.453 -2.704 31.262 1.00 0.00 C ATOM 248 C HIS A 16 76.566 -3.955 31.257 1.00 0.00 C ATOM 249 O HIS A 16 77.056 -5.063 31.159 1.00 0.00 O ATOM 250 CB HIS A 16 77.680 -2.233 32.711 1.00 0.00 C ATOM 251 CG HIS A 16 78.940 -1.414 32.789 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.686 -1.308 33.956 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.617 -0.688 31.844 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.763 -0.545 33.679 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.765 -0.143 32.410 1.00 0.00 N ATOM 0 H HIS A 16 76.600 -0.763 30.968 1.00 0.00 H new ATOM 0 HA HIS A 16 78.417 -2.945 30.814 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.829 -1.641 33.048 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.753 -3.094 33.376 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.307 -0.559 30.818 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.529 -0.292 34.397 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.462 0.442 31.949 1.00 0.00 H new ATOM 263 N SER A 17 75.271 -3.807 31.360 1.00 0.00 N ATOM 264 CA SER A 17 74.398 -5.018 31.356 1.00 0.00 C ATOM 265 C SER A 17 74.573 -5.771 30.034 1.00 0.00 C ATOM 266 O SER A 17 74.655 -6.981 30.006 1.00 0.00 O ATOM 267 CB SER A 17 72.935 -4.598 31.511 1.00 0.00 C ATOM 268 OG SER A 17 72.492 -4.002 30.302 1.00 0.00 O ATOM 0 H SER A 17 74.786 -2.914 31.446 1.00 0.00 H new ATOM 0 HA SER A 17 74.679 -5.667 32.185 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.319 -5.464 31.751 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.831 -3.894 32.337 1.00 0.00 H new ATOM 0 HG SER A 17 73.041 -3.214 30.105 1.00 0.00 H new ATOM 274 N ASN A 18 74.644 -5.062 28.935 1.00 0.00 N ATOM 275 CA ASN A 18 74.828 -5.734 27.608 1.00 0.00 C ATOM 276 C ASN A 18 76.322 -5.743 27.255 1.00 0.00 C ATOM 277 O ASN A 18 76.820 -4.847 26.598 1.00 0.00 O ATOM 278 CB ASN A 18 74.043 -4.973 26.532 1.00 0.00 C ATOM 279 CG ASN A 18 72.543 -5.021 26.845 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.881 -3.999 26.868 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.971 -6.170 27.088 1.00 0.00 N ATOM 0 H ASN A 18 74.583 -4.045 28.898 1.00 0.00 H new ATOM 0 HA ASN A 18 74.458 -6.758 27.658 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.381 -3.938 26.488 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.233 -5.412 25.553 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.973 -6.209 27.296 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.522 -7.028 27.070 1.00 0.00 H new ATOM 288 N TRP A 19 77.042 -6.744 27.691 1.00 0.00 N ATOM 289 CA TRP A 19 78.506 -6.809 27.396 1.00 0.00 C ATOM 290 C TRP A 19 78.741 -7.093 25.907 1.00 0.00 C ATOM 291 O TRP A 19 79.744 -6.700 25.344 1.00 0.00 O ATOM 292 CB TRP A 19 79.172 -7.893 28.257 1.00 0.00 C ATOM 293 CG TRP A 19 78.764 -9.269 27.825 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.855 -10.048 28.461 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.249 -10.052 26.694 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.759 -11.257 27.797 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.596 -11.308 26.704 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.183 -9.800 25.672 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.862 -12.277 25.738 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.451 -10.774 24.698 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.793 -12.012 24.732 1.00 0.00 C ATOM 0 H TRP A 19 76.678 -7.522 28.241 1.00 0.00 H new ATOM 0 HA TRP A 19 78.953 -5.845 27.638 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.256 -7.797 28.190 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.902 -7.744 29.303 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.297 -9.770 29.343 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.143 -12.019 28.082 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.697 -8.851 25.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.351 -13.228 25.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.169 -10.569 23.917 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.006 -12.759 23.982 1.00 0.00 H new ATOM 312 N ARG A 20 77.830 -7.769 25.261 1.00 0.00 N ATOM 313 CA ARG A 20 78.016 -8.070 23.812 1.00 0.00 C ATOM 314 C ARG A 20 78.108 -6.760 23.026 1.00 0.00 C ATOM 315 O ARG A 20 78.894 -6.628 22.109 1.00 0.00 O ATOM 316 CB ARG A 20 76.826 -8.886 23.293 1.00 0.00 C ATOM 317 CG ARG A 20 76.865 -10.285 23.901 1.00 0.00 C ATOM 318 CD ARG A 20 75.688 -11.112 23.380 1.00 0.00 C ATOM 319 NE ARG A 20 75.788 -11.244 21.900 1.00 0.00 N ATOM 320 CZ ARG A 20 75.075 -12.144 21.281 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.269 -12.921 21.958 1.00 0.00 N ATOM 322 NH2 ARG A 20 75.167 -12.268 19.988 1.00 0.00 N ATOM 0 H ARG A 20 76.967 -8.125 25.672 1.00 0.00 H new ATOM 0 HA ARG A 20 78.934 -8.644 23.682 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.891 -8.391 23.553 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.861 -8.949 22.205 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.805 -10.775 23.648 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.822 -10.220 24.988 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.689 -12.098 23.844 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.746 -10.634 23.650 1.00 0.00 H new ATOM 0 HE ARG A 20 76.412 -10.633 21.372 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.198 -12.823 22.971 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.712 -13.624 21.473 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.796 -11.662 19.461 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.610 -12.971 19.502 1.00 0.00 H new ATOM 336 N ALA A 21 77.321 -5.790 23.378 1.00 0.00 N ATOM 337 CA ALA A 21 77.372 -4.494 22.646 1.00 0.00 C ATOM 338 C ALA A 21 78.776 -3.888 22.773 1.00 0.00 C ATOM 339 O ALA A 21 79.307 -3.326 21.837 1.00 0.00 O ATOM 340 CB ALA A 21 76.344 -3.536 23.247 1.00 0.00 C ATOM 0 H ALA A 21 76.644 -5.834 24.140 1.00 0.00 H new ATOM 0 HA ALA A 21 77.145 -4.659 21.593 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.377 -2.586 22.714 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.347 -3.968 23.156 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.573 -3.370 24.300 1.00 0.00 H new ATOM 346 N MET A 22 79.368 -3.982 23.932 1.00 0.00 N ATOM 347 CA MET A 22 80.730 -3.407 24.133 1.00 0.00 C ATOM 348 C MET A 22 81.723 -4.057 23.172 1.00 0.00 C ATOM 349 O MET A 22 82.525 -3.391 22.546 1.00 0.00 O ATOM 350 CB MET A 22 81.174 -3.669 25.571 1.00 0.00 C ATOM 351 CG MET A 22 82.463 -2.895 25.871 1.00 0.00 C ATOM 352 SD MET A 22 83.149 -3.441 27.460 1.00 0.00 S ATOM 353 CE MET A 22 81.693 -3.109 28.484 1.00 0.00 C ATOM 0 H MET A 22 78.966 -4.434 24.753 1.00 0.00 H new ATOM 0 HA MET A 22 80.699 -2.335 23.939 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.389 -3.366 26.264 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.338 -4.736 25.721 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.190 -3.058 25.075 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.257 -1.825 25.901 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.003 -2.946 29.516 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.183 -2.220 28.114 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.015 -3.961 28.439 1.00 0.00 H new ATOM 363 N ALA A 23 81.693 -5.354 23.062 1.00 0.00 N ATOM 364 CA ALA A 23 82.648 -6.043 22.146 1.00 0.00 C ATOM 365 C ALA A 23 82.387 -5.607 20.700 1.00 0.00 C ATOM 366 O ALA A 23 83.303 -5.381 19.931 1.00 0.00 O ATOM 367 CB ALA A 23 82.453 -7.561 22.269 1.00 0.00 C ATOM 0 H ALA A 23 81.051 -5.968 23.564 1.00 0.00 H new ATOM 0 HA ALA A 23 83.670 -5.779 22.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.148 -8.072 21.602 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.643 -7.870 23.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.430 -7.820 21.995 1.00 0.00 H new ATOM 373 N SER A 24 81.144 -5.498 20.327 1.00 0.00 N ATOM 374 CA SER A 24 80.804 -5.086 18.934 1.00 0.00 C ATOM 375 C SER A 24 81.181 -3.624 18.721 1.00 0.00 C ATOM 376 O SER A 24 81.656 -3.240 17.672 1.00 0.00 O ATOM 377 CB SER A 24 79.301 -5.262 18.700 1.00 0.00 C ATOM 378 OG SER A 24 78.967 -4.800 17.398 1.00 0.00 O ATOM 0 H SER A 24 80.341 -5.678 20.930 1.00 0.00 H new ATOM 0 HA SER A 24 81.359 -5.708 18.232 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.026 -6.311 18.807 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.738 -4.707 19.450 1.00 0.00 H new ATOM 0 HG SER A 24 78.005 -4.914 17.247 1.00 0.00 H new ATOM 384 N ASP A 25 80.947 -2.801 19.700 1.00 0.00 N ATOM 385 CA ASP A 25 81.264 -1.358 19.543 1.00 0.00 C ATOM 386 C ASP A 25 82.756 -1.174 19.280 1.00 0.00 C ATOM 387 O ASP A 25 83.155 -0.357 18.477 1.00 0.00 O ATOM 388 CB ASP A 25 80.901 -0.616 20.825 1.00 0.00 C ATOM 389 CG ASP A 25 79.385 -0.618 21.005 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.701 -1.055 20.096 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.934 -0.183 22.051 1.00 0.00 O ATOM 0 H ASP A 25 80.550 -3.064 20.602 1.00 0.00 H new ATOM 0 HA ASP A 25 80.693 -0.963 18.703 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.380 -1.092 21.681 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.271 0.408 20.782 1.00 0.00 H new ATOM 396 N PHE A 26 83.585 -1.919 19.962 1.00 0.00 N ATOM 397 CA PHE A 26 85.061 -1.781 19.772 1.00 0.00 C ATOM 398 C PHE A 26 85.598 -2.939 18.935 1.00 0.00 C ATOM 399 O PHE A 26 86.791 -3.054 18.729 1.00 0.00 O ATOM 400 CB PHE A 26 85.746 -1.794 21.136 1.00 0.00 C ATOM 401 CG PHE A 26 85.418 -0.515 21.875 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.213 0.617 21.669 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.330 -0.458 22.761 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.924 1.809 22.343 1.00 0.00 C ATOM 405 CE2 PHE A 26 84.043 0.738 23.436 1.00 0.00 C ATOM 406 CZ PHE A 26 84.841 1.868 23.227 1.00 0.00 C ATOM 0 H PHE A 26 83.303 -2.621 20.646 1.00 0.00 H new ATOM 0 HA PHE A 26 85.265 -0.843 19.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.414 -2.656 21.714 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.825 -1.889 21.013 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.051 0.571 20.989 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.716 -1.332 22.922 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.537 2.683 22.181 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.206 0.786 24.117 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.621 2.787 23.749 1.00 0.00 H new ATOM 416 N ASN A 27 84.737 -3.794 18.453 1.00 0.00 N ATOM 417 CA ASN A 27 85.203 -4.951 17.623 1.00 0.00 C ATOM 418 C ASN A 27 86.246 -5.780 18.377 1.00 0.00 C ATOM 419 O ASN A 27 87.262 -6.148 17.829 1.00 0.00 O ATOM 420 CB ASN A 27 85.821 -4.443 16.320 1.00 0.00 C ATOM 421 CG ASN A 27 84.722 -3.871 15.429 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.565 -4.208 15.579 1.00 0.00 O ATOM 423 ND2 ASN A 27 85.039 -3.014 14.501 1.00 0.00 N ATOM 0 H ASN A 27 83.728 -3.744 18.596 1.00 0.00 H new ATOM 0 HA ASN A 27 84.339 -5.579 17.406 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.568 -3.678 16.532 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.335 -5.256 15.807 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.315 -2.624 13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 27 86.012 -2.733 14.377 1.00 0.00 H new ATOM 430 N LEU A 28 85.997 -6.079 19.626 1.00 0.00 N ATOM 431 CA LEU A 28 86.969 -6.894 20.428 1.00 0.00 C ATOM 432 C LEU A 28 86.279 -8.188 20.871 1.00 0.00 C ATOM 433 O LEU A 28 85.083 -8.210 21.061 1.00 0.00 O ATOM 434 CB LEU A 28 87.376 -6.088 21.666 1.00 0.00 C ATOM 435 CG LEU A 28 88.174 -4.848 21.232 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.260 -3.855 22.400 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.593 -5.245 20.790 1.00 0.00 C ATOM 0 H LEU A 28 85.158 -5.794 20.131 1.00 0.00 H new ATOM 0 HA LEU A 28 87.850 -7.132 19.832 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.490 -5.786 22.224 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.978 -6.705 22.333 1.00 0.00 H new ATOM 0 HG LEU A 28 87.662 -4.382 20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.826 -2.977 22.090 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.255 -3.553 22.696 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.760 -4.329 23.245 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.142 -4.354 20.486 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.111 -5.726 21.620 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.532 -5.937 19.950 1.00 0.00 H new ATOM 449 N PRO A 29 87.013 -9.271 21.041 1.00 0.00 N ATOM 450 CA PRO A 29 86.406 -10.563 21.466 1.00 0.00 C ATOM 451 C PRO A 29 85.832 -10.469 22.895 1.00 0.00 C ATOM 452 O PRO A 29 86.339 -9.728 23.717 1.00 0.00 O ATOM 453 CB PRO A 29 87.568 -11.570 21.392 1.00 0.00 C ATOM 454 CG PRO A 29 88.807 -10.741 21.497 1.00 0.00 C ATOM 455 CD PRO A 29 88.474 -9.396 20.846 1.00 0.00 C ATOM 0 HA PRO A 29 85.566 -10.855 20.836 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.511 -12.298 22.201 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.546 -12.130 20.457 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.100 -10.608 22.538 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.643 -11.223 20.990 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.014 -8.576 21.320 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.740 -9.385 19.789 1.00 0.00 H new ATOM 463 N PRO A 30 84.784 -11.206 23.192 1.00 0.00 N ATOM 464 CA PRO A 30 84.144 -11.186 24.538 1.00 0.00 C ATOM 465 C PRO A 30 85.162 -11.130 25.683 1.00 0.00 C ATOM 466 O PRO A 30 84.839 -10.774 26.797 1.00 0.00 O ATOM 467 CB PRO A 30 83.371 -12.511 24.584 1.00 0.00 C ATOM 468 CG PRO A 30 83.032 -12.826 23.157 1.00 0.00 C ATOM 469 CD PRO A 30 84.096 -12.145 22.281 1.00 0.00 C ATOM 0 HA PRO A 30 83.523 -10.300 24.671 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.975 -13.303 25.028 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.470 -12.419 25.190 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.027 -13.903 22.991 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.036 -12.461 22.908 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.791 -12.873 21.864 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.641 -11.621 21.441 1.00 0.00 H new ATOM 477 N VAL A 31 86.378 -11.511 25.428 1.00 0.00 N ATOM 478 CA VAL A 31 87.393 -11.519 26.519 1.00 0.00 C ATOM 479 C VAL A 31 87.575 -10.124 27.106 1.00 0.00 C ATOM 480 O VAL A 31 87.551 -9.944 28.306 1.00 0.00 O ATOM 481 CB VAL A 31 88.729 -11.996 25.943 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.812 -11.987 27.028 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.557 -13.414 25.404 1.00 0.00 C ATOM 0 H VAL A 31 86.715 -11.817 24.515 1.00 0.00 H new ATOM 0 HA VAL A 31 87.053 -12.186 27.311 1.00 0.00 H new ATOM 0 HB VAL A 31 89.035 -11.325 25.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.756 -12.329 26.603 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.933 -10.974 27.413 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.518 -12.652 27.841 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.503 -13.764 24.991 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.248 -14.076 26.213 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.797 -13.417 24.622 1.00 0.00 H new ATOM 493 N VAL A 32 87.777 -9.142 26.287 1.00 0.00 N ATOM 494 CA VAL A 32 87.982 -7.775 26.834 1.00 0.00 C ATOM 495 C VAL A 32 86.690 -7.290 27.484 1.00 0.00 C ATOM 496 O VAL A 32 86.696 -6.704 28.547 1.00 0.00 O ATOM 497 CB VAL A 32 88.384 -6.834 25.700 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.396 -5.391 26.203 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.778 -7.218 25.205 1.00 0.00 C ATOM 0 H VAL A 32 87.810 -9.220 25.271 1.00 0.00 H new ATOM 0 HA VAL A 32 88.773 -7.791 27.584 1.00 0.00 H new ATOM 0 HB VAL A 32 87.667 -6.918 24.884 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.683 -4.725 25.390 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.402 -5.121 26.559 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.112 -5.296 27.020 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.073 -6.551 24.395 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.492 -7.132 26.024 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.765 -8.246 24.842 1.00 0.00 H new ATOM 509 N ALA A 33 85.583 -7.524 26.846 1.00 0.00 N ATOM 510 CA ALA A 33 84.287 -7.079 27.418 1.00 0.00 C ATOM 511 C ALA A 33 84.029 -7.798 28.746 1.00 0.00 C ATOM 512 O ALA A 33 83.638 -7.190 29.716 1.00 0.00 O ATOM 513 CB ALA A 33 83.163 -7.391 26.426 1.00 0.00 C ATOM 0 H ALA A 33 85.519 -8.006 25.949 1.00 0.00 H new ATOM 0 HA ALA A 33 84.320 -6.005 27.602 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.210 -7.066 26.842 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.348 -6.865 25.489 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.130 -8.464 26.239 1.00 0.00 H new ATOM 519 N LYS A 34 84.245 -9.093 28.802 1.00 0.00 N ATOM 520 CA LYS A 34 84.011 -9.830 30.078 1.00 0.00 C ATOM 521 C LYS A 34 84.977 -9.323 31.152 1.00 0.00 C ATOM 522 O LYS A 34 84.610 -9.157 32.299 1.00 0.00 O ATOM 523 CB LYS A 34 84.193 -11.337 29.843 1.00 0.00 C ATOM 524 CG LYS A 34 83.013 -11.855 29.003 1.00 0.00 C ATOM 525 CD LYS A 34 83.168 -13.349 28.709 1.00 0.00 C ATOM 526 CE LYS A 34 81.880 -13.865 28.054 1.00 0.00 C ATOM 527 NZ LYS A 34 80.787 -13.871 29.066 1.00 0.00 N ATOM 0 H LYS A 34 84.571 -9.664 28.022 1.00 0.00 H new ATOM 0 HA LYS A 34 82.992 -9.655 30.423 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.135 -11.527 29.328 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.238 -11.865 30.796 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.078 -11.680 29.535 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.956 -11.300 28.067 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.019 -13.517 28.049 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.367 -13.896 29.631 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.607 -13.231 27.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.034 -14.870 27.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.053 -14.551 28.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.173 -14.146 29.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.371 -12.920 29.133 1.00 0.00 H new ATOM 541 N GLU A 35 86.206 -9.070 30.794 1.00 0.00 N ATOM 542 CA GLU A 35 87.182 -8.568 31.804 1.00 0.00 C ATOM 543 C GLU A 35 86.696 -7.234 32.374 1.00 0.00 C ATOM 544 O GLU A 35 86.782 -6.984 33.561 1.00 0.00 O ATOM 545 CB GLU A 35 88.554 -8.372 31.144 1.00 0.00 C ATOM 546 CG GLU A 35 89.636 -8.176 32.221 1.00 0.00 C ATOM 547 CD GLU A 35 89.598 -6.736 32.737 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.481 -5.839 31.920 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.688 -6.555 33.942 1.00 0.00 O ATOM 0 H GLU A 35 86.576 -9.188 29.851 1.00 0.00 H new ATOM 0 HA GLU A 35 87.268 -9.296 32.611 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.796 -9.237 30.527 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.528 -7.506 30.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.473 -8.872 33.044 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.619 -8.398 31.806 1.00 0.00 H new ATOM 556 N ILE A 36 86.182 -6.369 31.538 1.00 0.00 N ATOM 557 CA ILE A 36 85.691 -5.052 32.039 1.00 0.00 C ATOM 558 C ILE A 36 84.484 -5.274 32.948 1.00 0.00 C ATOM 559 O ILE A 36 84.351 -4.654 33.985 1.00 0.00 O ATOM 560 CB ILE A 36 85.291 -4.179 30.844 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.560 -3.782 30.083 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.571 -2.918 31.344 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.192 -3.265 28.696 1.00 0.00 C ATOM 0 H ILE A 36 86.082 -6.517 30.534 1.00 0.00 H new ATOM 0 HA ILE A 36 86.477 -4.553 32.605 1.00 0.00 H new ATOM 0 HB ILE A 36 84.620 -4.731 30.186 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.101 -3.014 30.636 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.226 -4.640 29.996 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.288 -2.299 30.493 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.677 -3.205 31.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.237 -2.354 31.997 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.099 -2.984 28.160 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.671 -4.046 28.143 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.543 -2.394 28.793 1.00 0.00 H new ATOM 575 N VAL A 37 83.608 -6.163 32.566 1.00 0.00 N ATOM 576 CA VAL A 37 82.405 -6.448 33.404 1.00 0.00 C ATOM 577 C VAL A 37 82.863 -7.024 34.742 1.00 0.00 C ATOM 578 O VAL A 37 82.310 -6.727 35.782 1.00 0.00 O ATOM 579 CB VAL A 37 81.497 -7.455 32.678 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.262 -7.779 33.531 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.044 -6.857 31.340 1.00 0.00 C ATOM 0 H VAL A 37 83.673 -6.707 31.706 1.00 0.00 H new ATOM 0 HA VAL A 37 81.843 -5.530 33.575 1.00 0.00 H new ATOM 0 HB VAL A 37 82.058 -8.374 32.507 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.631 -8.493 33.001 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.579 -8.210 34.481 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.698 -6.865 33.717 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.400 -7.568 30.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.493 -5.934 31.522 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.917 -6.643 30.723 1.00 0.00 H new ATOM 591 N ALA A 38 83.856 -7.866 34.715 1.00 0.00 N ATOM 592 CA ALA A 38 84.357 -8.494 35.970 1.00 0.00 C ATOM 593 C ALA A 38 85.027 -7.451 36.860 1.00 0.00 C ATOM 594 O ALA A 38 85.067 -7.589 38.069 1.00 0.00 O ATOM 595 CB ALA A 38 85.382 -9.573 35.632 1.00 0.00 C ATOM 0 H ALA A 38 84.348 -8.150 33.868 1.00 0.00 H new ATOM 0 HA ALA A 38 83.508 -8.930 36.497 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.746 -10.030 36.552 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.915 -10.335 35.008 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.218 -9.125 35.094 1.00 0.00 H new ATOM 601 N SER A 39 85.579 -6.430 36.279 1.00 0.00 N ATOM 602 CA SER A 39 86.271 -5.401 37.097 1.00 0.00 C ATOM 603 C SER A 39 85.240 -4.523 37.807 1.00 0.00 C ATOM 604 O SER A 39 85.477 -4.028 38.892 1.00 0.00 O ATOM 605 CB SER A 39 87.140 -4.538 36.187 1.00 0.00 C ATOM 606 OG SER A 39 88.136 -5.349 35.580 1.00 0.00 O ATOM 0 H SER A 39 85.582 -6.262 35.273 1.00 0.00 H new ATOM 0 HA SER A 39 86.896 -5.890 37.844 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.526 -4.063 35.422 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.607 -3.739 36.762 1.00 0.00 H new ATOM 0 HG SER A 39 87.735 -5.870 34.853 1.00 0.00 H new ATOM 612 N CYS A 40 84.094 -4.327 37.211 1.00 0.00 N ATOM 613 CA CYS A 40 83.055 -3.479 37.865 1.00 0.00 C ATOM 614 C CYS A 40 82.426 -4.265 39.022 1.00 0.00 C ATOM 615 O CYS A 40 81.835 -5.310 38.831 1.00 0.00 O ATOM 616 CB CYS A 40 81.977 -3.100 36.844 1.00 0.00 C ATOM 617 SG CYS A 40 80.612 -2.253 37.683 1.00 0.00 S ATOM 0 H CYS A 40 83.833 -4.715 36.304 1.00 0.00 H new ATOM 0 HA CYS A 40 83.512 -2.567 38.248 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.401 -2.454 36.076 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.609 -3.994 36.341 1.00 0.00 H new ATOM 0 HG CYS A 40 80.056 -1.409 36.865 1.00 0.00 H new ATOM 622 N ASP A 41 82.562 -3.768 40.223 1.00 0.00 N ATOM 623 CA ASP A 41 81.998 -4.474 41.413 1.00 0.00 C ATOM 624 C ASP A 41 80.467 -4.585 41.298 1.00 0.00 C ATOM 625 O ASP A 41 79.883 -5.596 41.640 1.00 0.00 O ATOM 626 CB ASP A 41 82.355 -3.688 42.676 1.00 0.00 C ATOM 627 CG ASP A 41 83.859 -3.804 42.955 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.616 -3.081 42.323 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.226 -4.613 43.791 1.00 0.00 O ATOM 0 H ASP A 41 83.045 -2.894 40.433 1.00 0.00 H new ATOM 0 HA ASP A 41 82.419 -5.478 41.463 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.079 -2.641 42.553 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.788 -4.070 43.525 1.00 0.00 H new ATOM 634 N LYS A 42 79.818 -3.556 40.827 1.00 0.00 N ATOM 635 CA LYS A 42 78.328 -3.602 40.701 1.00 0.00 C ATOM 636 C LYS A 42 77.916 -4.743 39.773 1.00 0.00 C ATOM 637 O LYS A 42 76.938 -5.424 40.010 1.00 0.00 O ATOM 638 CB LYS A 42 77.826 -2.283 40.107 1.00 0.00 C ATOM 639 CG LYS A 42 77.983 -1.162 41.128 1.00 0.00 C ATOM 640 CD LYS A 42 77.474 0.153 40.533 1.00 0.00 C ATOM 641 CE LYS A 42 77.646 1.274 41.563 1.00 0.00 C ATOM 642 NZ LYS A 42 76.969 0.903 42.841 1.00 0.00 N ATOM 0 H LYS A 42 80.252 -2.684 40.523 1.00 0.00 H new ATOM 0 HA LYS A 42 77.896 -3.759 41.689 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.386 -2.045 39.203 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.780 -2.379 39.817 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.427 -1.402 42.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.030 -1.062 41.414 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.025 0.391 39.623 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.425 0.057 40.254 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.706 1.454 41.743 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.226 2.202 41.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.791 1.761 43.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.066 0.433 42.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.578 0.257 43.382 1.00 0.00 H new ATOM 656 N CYS A 43 78.647 -4.943 38.713 1.00 0.00 N ATOM 657 CA CYS A 43 78.291 -6.029 37.750 1.00 0.00 C ATOM 658 C CYS A 43 78.597 -7.400 38.351 1.00 0.00 C ATOM 659 O CYS A 43 77.854 -8.348 38.175 1.00 0.00 O ATOM 660 CB CYS A 43 79.134 -5.883 36.478 1.00 0.00 C ATOM 661 SG CYS A 43 78.609 -4.431 35.535 1.00 0.00 S ATOM 0 H CYS A 43 79.477 -4.403 38.469 1.00 0.00 H new ATOM 0 HA CYS A 43 77.227 -5.948 37.526 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.188 -5.792 36.741 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.035 -6.778 35.864 1.00 0.00 H new ATOM 0 HG CYS A 43 78.435 -3.428 36.344 1.00 0.00 H new ATOM 666 N GLN A 44 79.702 -7.520 39.022 1.00 0.00 N ATOM 667 CA GLN A 44 80.088 -8.838 39.597 1.00 0.00 C ATOM 668 C GLN A 44 79.224 -9.167 40.814 1.00 0.00 C ATOM 669 O GLN A 44 78.304 -9.957 40.741 1.00 0.00 O ATOM 670 CB GLN A 44 81.560 -8.771 40.012 1.00 0.00 C ATOM 671 CG GLN A 44 82.056 -10.164 40.402 1.00 0.00 C ATOM 672 CD GLN A 44 83.528 -10.085 40.811 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.410 -9.644 39.955 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.878 -10.422 41.924 1.00 0.00 N ATOM 0 H GLN A 44 80.359 -6.761 39.199 1.00 0.00 H new ATOM 0 HA GLN A 44 79.938 -9.619 38.852 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.160 -8.378 39.191 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.679 -8.085 40.851 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.459 -10.557 41.225 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.936 -10.852 39.565 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.189 -10.766 42.593 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.861 -10.361 42.190 1.00 0.00 H new ATOM 844 N PHE B 1 93.695 -14.100 21.483 1.00 0.00 N ATOM 845 CA PHE B 1 92.747 -13.806 22.599 1.00 0.00 C ATOM 846 C PHE B 1 92.097 -15.106 23.085 1.00 0.00 C ATOM 847 O PHE B 1 92.469 -15.661 24.100 1.00 0.00 O ATOM 848 CB PHE B 1 91.659 -12.841 22.103 1.00 0.00 C ATOM 849 CG PHE B 1 92.240 -11.449 21.962 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.128 -11.160 20.914 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.901 -10.450 22.886 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.672 -9.875 20.794 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.447 -9.167 22.760 1.00 0.00 C ATOM 854 CZ PHE B 1 93.331 -8.878 21.716 1.00 0.00 C ATOM 0 H1 PHE B 1 93.991 -13.209 21.035 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.531 -14.593 21.858 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.225 -14.703 20.778 1.00 0.00 H new ATOM 0 HA PHE B 1 93.292 -13.349 23.425 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.267 -13.181 21.145 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.824 -12.828 22.803 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.391 -11.927 20.201 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.219 -10.670 23.694 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.356 -9.653 19.988 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.185 -8.398 23.471 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.750 -7.887 21.621 1.00 0.00 H new ATOM 866 N LEU B 2 91.116 -15.587 22.368 1.00 0.00 N ATOM 867 CA LEU B 2 90.414 -16.844 22.771 1.00 0.00 C ATOM 868 C LEU B 2 91.398 -18.015 22.805 1.00 0.00 C ATOM 869 O LEU B 2 91.337 -18.863 23.672 1.00 0.00 O ATOM 870 CB LEU B 2 89.321 -17.155 21.737 1.00 0.00 C ATOM 871 CG LEU B 2 88.289 -16.017 21.695 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.368 -16.209 20.485 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.438 -16.024 22.975 1.00 0.00 C ATOM 0 H LEU B 2 90.767 -15.159 21.511 1.00 0.00 H new ATOM 0 HA LEU B 2 89.982 -16.707 23.762 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.769 -17.286 20.752 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.828 -18.094 21.990 1.00 0.00 H new ATOM 0 HG LEU B 2 88.817 -15.066 21.618 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.635 -15.403 20.454 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.961 -16.196 19.571 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.852 -17.165 20.569 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.711 -15.213 22.933 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.915 -16.977 23.059 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.084 -15.887 23.842 1.00 0.00 H new ATOM 885 N ASP B 3 92.284 -18.078 21.855 1.00 0.00 N ATOM 886 CA ASP B 3 93.259 -19.207 21.815 1.00 0.00 C ATOM 887 C ASP B 3 94.166 -19.192 23.044 1.00 0.00 C ATOM 888 O ASP B 3 94.494 -20.229 23.589 1.00 0.00 O ATOM 889 CB ASP B 3 94.118 -19.091 20.560 1.00 0.00 C ATOM 890 CG ASP B 3 93.280 -19.429 19.326 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.150 -19.851 19.499 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.784 -19.262 18.228 1.00 0.00 O ATOM 0 H ASP B 3 92.378 -17.397 21.102 1.00 0.00 H new ATOM 0 HA ASP B 3 92.700 -20.143 21.805 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.518 -18.081 20.474 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.971 -19.766 20.628 1.00 0.00 H new ATOM 897 N GLY B 4 94.592 -18.038 23.475 1.00 0.00 N ATOM 898 CA GLY B 4 95.493 -17.976 24.660 1.00 0.00 C ATOM 899 C GLY B 4 94.740 -18.457 25.902 1.00 0.00 C ATOM 900 O GLY B 4 95.310 -19.040 26.800 1.00 0.00 O ATOM 0 H GLY B 4 94.356 -17.137 23.059 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.374 -18.596 24.493 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.846 -16.955 24.809 1.00 0.00 H new ATOM 904 N ILE B 5 93.459 -18.208 25.957 1.00 0.00 N ATOM 905 CA ILE B 5 92.657 -18.640 27.141 1.00 0.00 C ATOM 906 C ILE B 5 92.548 -20.163 27.181 1.00 0.00 C ATOM 907 O ILE B 5 92.618 -20.768 28.229 1.00 0.00 O ATOM 908 CB ILE B 5 91.254 -18.027 27.043 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.355 -16.522 27.305 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.314 -18.665 28.073 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.020 -15.840 27.015 1.00 0.00 C ATOM 0 H ILE B 5 92.931 -17.723 25.232 1.00 0.00 H new ATOM 0 HA ILE B 5 93.150 -18.301 28.052 1.00 0.00 H new ATOM 0 HB ILE B 5 90.850 -18.211 26.047 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.643 -16.345 28.341 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.135 -16.089 26.679 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.324 -18.217 27.988 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.245 -19.737 27.888 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.704 -18.495 29.076 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.109 -14.771 27.206 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.748 -16.001 25.972 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.249 -16.261 27.660 1.00 0.00 H new ATOM 923 N ASP B 6 92.368 -20.788 26.058 1.00 0.00 N ATOM 924 CA ASP B 6 92.228 -22.266 26.061 1.00 0.00 C ATOM 925 C ASP B 6 93.495 -22.897 26.640 1.00 0.00 C ATOM 926 O ASP B 6 93.430 -23.746 27.506 1.00 0.00 O ATOM 927 CB ASP B 6 92.032 -22.748 24.624 1.00 0.00 C ATOM 928 CG ASP B 6 91.846 -24.265 24.610 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.846 -24.966 24.613 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.710 -24.703 24.595 1.00 0.00 O ATOM 0 H ASP B 6 92.312 -20.344 25.142 1.00 0.00 H new ATOM 0 HA ASP B 6 91.371 -22.555 26.669 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.162 -22.261 24.182 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.894 -22.472 24.017 1.00 0.00 H new ATOM 935 N LYS B 7 94.645 -22.486 26.180 1.00 0.00 N ATOM 936 CA LYS B 7 95.913 -23.064 26.718 1.00 0.00 C ATOM 937 C LYS B 7 96.114 -22.602 28.162 1.00 0.00 C ATOM 938 O LYS B 7 96.537 -23.351 29.016 1.00 0.00 O ATOM 939 CB LYS B 7 97.100 -22.576 25.878 1.00 0.00 C ATOM 940 CG LYS B 7 96.997 -23.134 24.459 1.00 0.00 C ATOM 941 CD LYS B 7 98.187 -22.640 23.635 1.00 0.00 C ATOM 942 CE LYS B 7 98.058 -23.135 22.194 1.00 0.00 C ATOM 943 NZ LYS B 7 99.180 -22.585 21.384 1.00 0.00 N ATOM 0 H LYS B 7 94.763 -21.777 25.457 1.00 0.00 H new ATOM 0 HA LYS B 7 95.852 -24.152 26.679 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.113 -21.486 25.850 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.036 -22.894 26.336 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.985 -24.224 24.484 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.063 -22.815 23.997 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.227 -21.551 23.653 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.118 -23.001 24.071 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.075 -24.225 22.168 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.103 -22.821 21.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.096 -22.919 20.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.143 -21.546 21.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.086 -22.905 21.783 1.00 0.00 H new ATOM 957 N ALA B 8 95.809 -21.366 28.439 1.00 0.00 N ATOM 958 CA ALA B 8 95.980 -20.843 29.822 1.00 0.00 C ATOM 959 C ALA B 8 94.939 -21.470 30.753 1.00 0.00 C ATOM 960 O ALA B 8 95.156 -21.596 31.941 1.00 0.00 O ATOM 961 CB ALA B 8 95.812 -19.325 29.824 1.00 0.00 C ATOM 0 H ALA B 8 95.447 -20.693 27.764 1.00 0.00 H new ATOM 0 HA ALA B 8 96.979 -21.100 30.175 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.938 -18.946 30.838 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.562 -18.875 29.173 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.816 -19.069 29.462 1.00 0.00 H new ATOM 967 N GLN B 9 93.795 -21.836 30.230 1.00 0.00 N ATOM 968 CA GLN B 9 92.737 -22.422 31.103 1.00 0.00 C ATOM 969 C GLN B 9 93.267 -23.677 31.787 1.00 0.00 C ATOM 970 O GLN B 9 93.974 -24.473 31.204 1.00 0.00 O ATOM 971 CB GLN B 9 91.504 -22.779 30.265 1.00 0.00 C ATOM 972 CG GLN B 9 90.368 -23.181 31.205 1.00 0.00 C ATOM 973 CD GLN B 9 89.151 -23.621 30.399 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.237 -24.210 30.935 1.00 0.00 O ATOM 975 NE2 GLN B 9 89.094 -23.360 29.120 1.00 0.00 N ATOM 0 H GLN B 9 93.551 -21.754 29.243 1.00 0.00 H new ATOM 0 HA GLN B 9 92.457 -21.688 31.859 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.204 -21.928 29.653 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.736 -23.596 29.582 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.695 -23.991 31.857 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.104 -22.342 31.848 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.861 -22.865 28.666 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.282 -23.652 28.576 1.00 0.00 H new ATOM 984 N GLU B 10 92.934 -23.850 33.037 1.00 0.00 N ATOM 985 CA GLU B 10 93.425 -25.039 33.782 1.00 0.00 C ATOM 986 C GLU B 10 92.621 -25.191 35.078 1.00 0.00 C ATOM 987 O GLU B 10 91.899 -24.297 35.477 1.00 0.00 O ATOM 988 CB GLU B 10 94.903 -24.829 34.102 1.00 0.00 C ATOM 989 CG GLU B 10 95.506 -26.127 34.634 1.00 0.00 C ATOM 990 CD GLU B 10 97.022 -25.974 34.734 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.525 -24.951 34.295 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.655 -26.877 35.244 1.00 0.00 O ATOM 0 H GLU B 10 92.342 -23.216 33.574 1.00 0.00 H new ATOM 0 HA GLU B 10 93.303 -25.943 33.185 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.437 -24.509 33.207 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.016 -24.035 34.841 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.087 -26.362 35.612 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.255 -26.956 33.972 1.00 0.00 H new ATOM 999 N GLU B 11 92.729 -26.313 35.735 1.00 0.00 N ATOM 1000 CA GLU B 11 91.959 -26.515 36.993 1.00 0.00 C ATOM 1001 C GLU B 11 92.355 -25.453 38.010 1.00 0.00 C ATOM 1002 O GLU B 11 93.418 -24.875 37.941 1.00 0.00 O ATOM 1003 CB GLU B 11 92.263 -27.902 37.570 1.00 0.00 C ATOM 1004 CG GLU B 11 91.644 -28.979 36.675 1.00 0.00 C ATOM 1005 CD GLU B 11 92.433 -29.082 35.369 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.520 -28.532 35.307 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.935 -29.709 34.450 1.00 0.00 O ATOM 0 H GLU B 11 93.317 -27.098 35.455 1.00 0.00 H new ATOM 0 HA GLU B 11 90.894 -26.437 36.775 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.341 -28.049 37.641 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.864 -27.982 38.581 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.648 -29.940 37.190 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.603 -28.735 36.464 1.00 0.00 H new ATOM 1014 N HIS B 12 91.501 -25.193 38.963 1.00 0.00 N ATOM 1015 CA HIS B 12 91.826 -24.167 39.989 1.00 0.00 C ATOM 1016 C HIS B 12 93.020 -24.644 40.812 1.00 0.00 C ATOM 1017 O HIS B 12 92.889 -25.003 41.962 1.00 0.00 O ATOM 1018 CB HIS B 12 90.625 -23.972 40.917 1.00 0.00 C ATOM 1019 CG HIS B 12 90.966 -22.954 41.970 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.846 -21.586 41.758 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.400 -23.103 43.259 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.199 -20.970 42.908 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.546 -21.853 43.848 1.00 0.00 N ATOM 0 H HIS B 12 90.594 -25.647 39.073 1.00 0.00 H new ATOM 0 HA HIS B 12 92.065 -23.224 39.498 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.759 -23.642 40.344 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.356 -24.919 41.385 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.599 -24.047 43.744 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.200 -19.899 43.049 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.854 -21.652 44.799 1.00 0.00 H new ATOM 1031 N GLU B 13 94.187 -24.652 40.225 1.00 0.00 N ATOM 1032 CA GLU B 13 95.402 -25.109 40.963 1.00 0.00 C ATOM 1033 C GLU B 13 96.066 -23.917 41.658 1.00 0.00 C ATOM 1034 O GLU B 13 95.461 -22.883 41.851 1.00 0.00 O ATOM 1035 CB GLU B 13 96.387 -25.722 39.973 1.00 0.00 C ATOM 1036 CG GLU B 13 95.755 -26.961 39.337 1.00 0.00 C ATOM 1037 CD GLU B 13 95.693 -28.086 40.370 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.745 -28.480 40.847 1.00 0.00 O ATOM 1039 OE2 GLU B 13 94.598 -28.534 40.661 1.00 0.00 O ATOM 0 H GLU B 13 94.352 -24.360 39.262 1.00 0.00 H new ATOM 0 HA GLU B 13 95.114 -25.849 41.710 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.647 -24.996 39.203 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.312 -25.992 40.482 1.00 0.00 H new ATOM 0 HG2 GLU B 13 94.753 -26.728 38.977 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.339 -27.278 38.473 1.00 0.00 H new ATOM 1046 N LYS B 14 97.312 -24.057 42.026 1.00 0.00 N ATOM 1047 CA LYS B 14 98.033 -22.937 42.705 1.00 0.00 C ATOM 1048 C LYS B 14 98.260 -21.799 41.704 1.00 0.00 C ATOM 1049 O LYS B 14 98.351 -20.646 42.072 1.00 0.00 O ATOM 1050 CB LYS B 14 99.390 -23.431 43.215 1.00 0.00 C ATOM 1051 CG LYS B 14 99.173 -24.457 44.333 1.00 0.00 C ATOM 1052 CD LYS B 14 100.528 -24.954 44.880 1.00 0.00 C ATOM 1053 CE LYS B 14 101.059 -23.989 45.950 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.150 -24.001 47.131 1.00 0.00 N ATOM 0 H LYS B 14 97.865 -24.902 41.885 1.00 0.00 H new ATOM 0 HA LYS B 14 97.435 -22.581 43.544 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.955 -23.881 42.399 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.978 -22.592 43.586 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.591 -24.009 45.138 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.596 -25.300 43.954 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.412 -25.951 45.305 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.248 -25.036 44.066 1.00 0.00 H new ATOM 0 HE2 LYS B 14 102.065 -24.281 46.250 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.128 -22.981 45.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.694 -23.782 47.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.404 -23.288 47.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.717 -24.942 47.226 1.00 0.00 H new ATOM 1068 N TYR B 15 98.359 -22.118 40.443 1.00 0.00 N ATOM 1069 CA TYR B 15 98.587 -21.060 39.415 1.00 0.00 C ATOM 1070 C TYR B 15 97.434 -20.048 39.437 1.00 0.00 C ATOM 1071 O TYR B 15 97.641 -18.868 39.232 1.00 0.00 O ATOM 1072 CB TYR B 15 98.694 -21.712 38.025 1.00 0.00 C ATOM 1073 CG TYR B 15 100.087 -22.271 37.824 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.386 -23.573 38.238 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.076 -21.478 37.227 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.679 -24.085 38.054 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.366 -21.991 37.043 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.669 -23.294 37.455 1.00 0.00 C ATOM 1079 OH TYR B 15 103.943 -23.794 37.271 1.00 0.00 O ATOM 0 H TYR B 15 98.292 -23.068 40.078 1.00 0.00 H new ATOM 0 HA TYR B 15 99.515 -20.534 39.638 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.956 -22.508 37.929 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.472 -20.977 37.251 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.623 -24.183 38.698 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.844 -20.472 36.909 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.912 -25.090 38.374 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.128 -21.380 36.582 1.00 0.00 H new ATOM 0 HH TYR B 15 104.502 -23.114 36.841 1.00 0.00 H new ATOM 1089 N HIS B 16 96.223 -20.484 39.668 1.00 0.00 N ATOM 1090 CA HIS B 16 95.095 -19.508 39.688 1.00 0.00 C ATOM 1091 C HIS B 16 95.331 -18.464 40.785 1.00 0.00 C ATOM 1092 O HIS B 16 95.072 -17.292 40.591 1.00 0.00 O ATOM 1093 CB HIS B 16 93.759 -20.235 39.940 1.00 0.00 C ATOM 1094 CG HIS B 16 93.260 -20.826 38.653 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.913 -21.079 38.418 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.915 -21.188 37.507 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.807 -21.569 37.169 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.999 -21.652 36.576 1.00 0.00 N ATOM 0 H HIS B 16 95.969 -21.457 39.841 1.00 0.00 H new ATOM 0 HA HIS B 16 95.046 -19.011 38.719 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.894 -21.020 40.684 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.024 -19.538 40.342 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.982 -21.122 37.352 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.875 -21.858 36.706 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.196 -21.987 35.633 1.00 0.00 H new ATOM 1106 N SER B 17 95.817 -18.860 41.930 1.00 0.00 N ATOM 1107 CA SER B 17 96.053 -17.857 43.008 1.00 0.00 C ATOM 1108 C SER B 17 97.058 -16.810 42.512 1.00 0.00 C ATOM 1109 O SER B 17 96.902 -15.629 42.750 1.00 0.00 O ATOM 1110 CB SER B 17 96.613 -18.550 44.252 1.00 0.00 C ATOM 1111 OG SER B 17 97.967 -18.905 44.021 1.00 0.00 O ATOM 0 H SER B 17 96.059 -19.823 42.164 1.00 0.00 H new ATOM 0 HA SER B 17 95.110 -17.373 43.263 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.541 -17.888 45.115 1.00 0.00 H new ATOM 0 HB3 SER B 17 96.026 -19.439 44.482 1.00 0.00 H new ATOM 0 HG SER B 17 98.005 -19.770 43.563 1.00 0.00 H new ATOM 1117 N ASN B 18 98.091 -17.231 41.821 1.00 0.00 N ATOM 1118 CA ASN B 18 99.102 -16.253 41.299 1.00 0.00 C ATOM 1119 C ASN B 18 98.763 -15.902 39.845 1.00 0.00 C ATOM 1120 O ASN B 18 99.229 -16.536 38.918 1.00 0.00 O ATOM 1121 CB ASN B 18 100.503 -16.874 41.362 1.00 0.00 C ATOM 1122 CG ASN B 18 100.879 -17.149 42.821 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.287 -18.241 43.160 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.752 -16.199 43.707 1.00 0.00 N ATOM 0 H ASN B 18 98.279 -18.208 41.596 1.00 0.00 H new ATOM 0 HA ASN B 18 99.082 -15.350 41.909 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.527 -17.801 40.789 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.231 -16.201 40.909 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.995 -16.375 44.682 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.409 -15.281 43.425 1.00 0.00 H new ATOM 1131 N TRP B 19 97.950 -14.901 39.639 1.00 0.00 N ATOM 1132 CA TRP B 19 97.574 -14.514 38.248 1.00 0.00 C ATOM 1133 C TRP B 19 98.764 -13.873 37.522 1.00 0.00 C ATOM 1134 O TRP B 19 98.861 -13.936 36.311 1.00 0.00 O ATOM 1135 CB TRP B 19 96.370 -13.563 38.263 1.00 0.00 C ATOM 1136 CG TRP B 19 96.749 -12.222 38.792 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.469 -11.773 40.033 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.447 -11.140 38.109 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.955 -10.487 40.161 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.567 -10.051 39.002 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.985 -11.000 36.816 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.195 -8.865 38.628 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.620 -9.809 36.437 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.723 -8.743 37.342 1.00 0.00 C ATOM 0 H TRP B 19 97.529 -14.334 40.375 1.00 0.00 H new ATOM 0 HA TRP B 19 97.292 -15.416 37.705 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.972 -13.459 37.253 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.575 -13.988 38.877 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.950 -12.328 40.800 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.872 -9.927 41.009 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.908 -11.815 36.112 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.273 -8.046 39.328 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.032 -9.712 35.443 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.211 -7.827 37.044 1.00 0.00 H new ATOM 1155 N ARG B 20 99.662 -13.257 38.236 1.00 0.00 N ATOM 1156 CA ARG B 20 100.832 -12.615 37.565 1.00 0.00 C ATOM 1157 C ARG B 20 101.649 -13.686 36.834 1.00 0.00 C ATOM 1158 O ARG B 20 102.141 -13.467 35.745 1.00 0.00 O ATOM 1159 CB ARG B 20 101.708 -11.923 38.605 1.00 0.00 C ATOM 1160 CG ARG B 20 100.973 -10.698 39.151 1.00 0.00 C ATOM 1161 CD ARG B 20 101.845 -10.012 40.202 1.00 0.00 C ATOM 1162 NE ARG B 20 103.101 -9.533 39.562 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.848 -8.645 40.165 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.487 -8.154 41.318 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.948 -8.230 39.600 1.00 0.00 N ATOM 0 H ARG B 20 99.640 -13.169 39.252 1.00 0.00 H new ATOM 0 HA ARG B 20 100.477 -11.875 36.848 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.942 -12.612 39.416 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.656 -11.623 38.158 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.747 -10.005 38.341 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.021 -10.997 39.590 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.308 -9.175 40.647 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.077 -10.707 41.009 1.00 0.00 H new ATOM 0 HE ARG B 20 103.379 -9.898 38.651 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.618 -8.462 41.754 1.00 0.00 H new ATOM 0 HH12 ARG B 20 104.074 -7.462 41.784 1.00 0.00 H new ATOM 0 HH21 ARG B 20 105.224 -8.598 38.690 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.532 -7.537 40.069 1.00 0.00 H new ATOM 1179 N ALA B 21 101.813 -14.836 37.432 1.00 0.00 N ATOM 1180 CA ALA B 21 102.606 -15.913 36.770 1.00 0.00 C ATOM 1181 C ALA B 21 101.957 -16.282 35.435 1.00 0.00 C ATOM 1182 O ALA B 21 102.625 -16.510 34.446 1.00 0.00 O ATOM 1183 CB ALA B 21 102.639 -17.158 37.664 1.00 0.00 C ATOM 0 H ALA B 21 101.433 -15.076 38.348 1.00 0.00 H new ATOM 0 HA ALA B 21 103.621 -15.553 36.603 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.219 -17.941 37.176 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.099 -16.908 38.620 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.622 -17.512 37.833 1.00 0.00 H new ATOM 1189 N MET B 22 100.654 -16.358 35.405 1.00 0.00 N ATOM 1190 CA MET B 22 99.945 -16.728 34.139 1.00 0.00 C ATOM 1191 C MET B 22 100.273 -15.713 33.044 1.00 0.00 C ATOM 1192 O MET B 22 100.586 -16.068 31.929 1.00 0.00 O ATOM 1193 CB MET B 22 98.434 -16.720 34.393 1.00 0.00 C ATOM 1194 CG MET B 22 97.688 -17.271 33.166 1.00 0.00 C ATOM 1195 SD MET B 22 95.908 -16.962 33.333 1.00 0.00 S ATOM 1196 CE MET B 22 95.657 -17.740 34.949 1.00 0.00 C ATOM 0 H MET B 22 100.045 -16.180 36.204 1.00 0.00 H new ATOM 0 HA MET B 22 100.267 -17.719 33.820 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.202 -17.323 35.270 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.099 -15.705 34.606 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.064 -16.798 32.259 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.872 -18.341 33.068 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.627 -18.088 35.029 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.335 -18.587 35.054 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.857 -17.014 35.737 1.00 0.00 H new ATOM 1206 N ALA B 23 100.186 -14.445 33.351 1.00 0.00 N ATOM 1207 CA ALA B 23 100.480 -13.406 32.317 1.00 0.00 C ATOM 1208 C ALA B 23 101.939 -13.529 31.865 1.00 0.00 C ATOM 1209 O ALA B 23 102.251 -13.405 30.698 1.00 0.00 O ATOM 1210 CB ALA B 23 100.246 -12.007 32.912 1.00 0.00 C ATOM 0 H ALA B 23 99.925 -14.084 34.269 1.00 0.00 H new ATOM 0 HA ALA B 23 99.821 -13.553 31.461 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.461 -11.250 32.158 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.208 -11.917 33.232 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.904 -11.862 33.769 1.00 0.00 H new ATOM 1216 N SER B 24 102.832 -13.768 32.783 1.00 0.00 N ATOM 1217 CA SER B 24 104.271 -13.896 32.418 1.00 0.00 C ATOM 1218 C SER B 24 104.493 -15.180 31.625 1.00 0.00 C ATOM 1219 O SER B 24 105.268 -15.217 30.688 1.00 0.00 O ATOM 1220 CB SER B 24 105.128 -13.919 33.684 1.00 0.00 C ATOM 1221 OG SER B 24 106.487 -14.093 33.313 1.00 0.00 O ATOM 0 H SER B 24 102.627 -13.881 33.776 1.00 0.00 H new ATOM 0 HA SER B 24 104.559 -13.042 31.805 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.005 -12.990 34.240 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.809 -14.728 34.341 1.00 0.00 H new ATOM 0 HG SER B 24 107.046 -14.108 34.118 1.00 0.00 H new ATOM 1227 N ASP B 25 103.845 -16.242 32.008 1.00 0.00 N ATOM 1228 CA ASP B 25 104.036 -17.533 31.289 1.00 0.00 C ATOM 1229 C ASP B 25 103.628 -17.392 29.822 1.00 0.00 C ATOM 1230 O ASP B 25 104.270 -17.928 28.941 1.00 0.00 O ATOM 1231 CB ASP B 25 103.161 -18.603 31.940 1.00 0.00 C ATOM 1232 CG ASP B 25 103.713 -18.945 33.325 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.780 -18.457 33.651 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.054 -19.688 34.036 1.00 0.00 O ATOM 0 H ASP B 25 103.190 -16.273 32.789 1.00 0.00 H new ATOM 0 HA ASP B 25 105.088 -17.814 31.344 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.135 -18.246 32.025 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.137 -19.497 31.316 1.00 0.00 H new ATOM 1239 N PHE B 26 102.559 -16.685 29.551 1.00 0.00 N ATOM 1240 CA PHE B 26 102.094 -16.524 28.134 1.00 0.00 C ATOM 1241 C PHE B 26 102.456 -15.137 27.614 1.00 0.00 C ATOM 1242 O PHE B 26 102.110 -14.781 26.505 1.00 0.00 O ATOM 1243 CB PHE B 26 100.576 -16.698 28.068 1.00 0.00 C ATOM 1244 CG PHE B 26 100.231 -18.143 28.348 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.233 -19.079 27.306 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.923 -18.552 29.655 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.926 -20.420 27.565 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.616 -19.894 29.913 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.620 -20.827 28.867 1.00 0.00 C ATOM 0 H PHE B 26 101.986 -16.211 30.249 1.00 0.00 H new ATOM 0 HA PHE B 26 102.583 -17.280 27.519 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.091 -16.048 28.796 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.207 -16.407 27.085 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.472 -18.765 26.301 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.923 -17.833 30.461 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.926 -21.140 26.760 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.376 -20.210 30.918 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.386 -21.862 29.067 1.00 0.00 H new ATOM 1259 N ASN B 27 103.149 -14.358 28.395 1.00 0.00 N ATOM 1260 CA ASN B 27 103.541 -12.995 27.937 1.00 0.00 C ATOM 1261 C ASN B 27 102.302 -12.194 27.522 1.00 0.00 C ATOM 1262 O ASN B 27 102.288 -11.544 26.494 1.00 0.00 O ATOM 1263 CB ASN B 27 104.511 -13.106 26.755 1.00 0.00 C ATOM 1264 CG ASN B 27 105.861 -13.638 27.240 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.179 -13.558 28.411 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.678 -14.185 26.379 1.00 0.00 N ATOM 0 H ASN B 27 103.462 -14.606 29.333 1.00 0.00 H new ATOM 0 HA ASN B 27 104.032 -12.475 28.759 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.099 -13.771 25.996 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.641 -12.130 26.287 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.581 -14.544 26.690 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.413 -14.253 25.396 1.00 0.00 H new ATOM 1273 N LEU B 28 101.265 -12.226 28.323 1.00 0.00 N ATOM 1274 CA LEU B 28 100.018 -11.461 28.001 1.00 0.00 C ATOM 1275 C LEU B 28 99.768 -10.447 29.123 1.00 0.00 C ATOM 1276 O LEU B 28 100.121 -10.691 30.256 1.00 0.00 O ATOM 1277 CB LEU B 28 98.847 -12.436 27.929 1.00 0.00 C ATOM 1278 CG LEU B 28 99.036 -13.361 26.724 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.075 -14.542 26.844 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.770 -12.603 25.408 1.00 0.00 C ATOM 0 H LEU B 28 101.228 -12.754 29.195 1.00 0.00 H new ATOM 0 HA LEU B 28 100.122 -10.943 27.047 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.789 -13.022 28.847 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.908 -11.890 27.839 1.00 0.00 H new ATOM 0 HG LEU B 28 100.065 -13.720 26.710 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.205 -15.205 25.988 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.285 -15.090 27.763 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.049 -14.175 26.867 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.910 -13.279 24.564 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.747 -12.226 25.405 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.465 -11.767 25.323 1.00 0.00 H new ATOM 1292 N PRO B 29 99.165 -9.320 28.826 1.00 0.00 N ATOM 1293 CA PRO B 29 98.893 -8.285 29.859 1.00 0.00 C ATOM 1294 C PRO B 29 97.875 -8.787 30.904 1.00 0.00 C ATOM 1295 O PRO B 29 97.023 -9.593 30.597 1.00 0.00 O ATOM 1296 CB PRO B 29 98.333 -7.092 29.060 1.00 0.00 C ATOM 1297 CG PRO B 29 97.810 -7.681 27.788 1.00 0.00 C ATOM 1298 CD PRO B 29 98.684 -8.905 27.496 1.00 0.00 C ATOM 0 HA PRO B 29 99.785 -8.023 30.428 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.543 -6.584 29.613 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.109 -6.352 28.862 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.763 -7.966 27.892 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.865 -6.959 26.973 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.113 -9.698 27.012 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.511 -8.656 26.831 1.00 0.00 H new ATOM 1306 N PRO B 30 97.969 -8.317 32.130 1.00 0.00 N ATOM 1307 CA PRO B 30 97.046 -8.733 33.227 1.00 0.00 C ATOM 1308 C PRO B 30 95.590 -8.850 32.765 1.00 0.00 C ATOM 1309 O PRO B 30 94.773 -9.481 33.405 1.00 0.00 O ATOM 1310 CB PRO B 30 97.177 -7.603 34.256 1.00 0.00 C ATOM 1311 CG PRO B 30 98.548 -7.028 34.054 1.00 0.00 C ATOM 1312 CD PRO B 30 98.961 -7.335 32.605 1.00 0.00 C ATOM 0 HA PRO B 30 97.305 -9.720 33.611 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.408 -6.845 34.105 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.057 -7.982 35.271 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.545 -5.953 34.233 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.256 -7.466 34.757 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.951 -6.434 31.992 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.972 -7.740 32.559 1.00 0.00 H new ATOM 1320 N VAL B 31 95.247 -8.212 31.683 1.00 0.00 N ATOM 1321 CA VAL B 31 93.835 -8.252 31.215 1.00 0.00 C ATOM 1322 C VAL B 31 93.402 -9.685 30.940 1.00 0.00 C ATOM 1323 O VAL B 31 92.366 -10.128 31.395 1.00 0.00 O ATOM 1324 CB VAL B 31 93.707 -7.422 29.934 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.269 -7.471 29.402 1.00 0.00 C ATOM 1326 CG2 VAL B 31 94.090 -5.973 30.237 1.00 0.00 C ATOM 0 H VAL B 31 95.883 -7.665 31.102 1.00 0.00 H new ATOM 0 HA VAL B 31 93.192 -7.839 31.993 1.00 0.00 H new ATOM 0 HB VAL B 31 94.372 -7.834 29.176 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.197 -6.876 28.492 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.997 -8.504 29.183 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.589 -7.069 30.153 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.001 -5.376 29.329 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.424 -5.573 31.001 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.118 -5.936 30.597 1.00 0.00 H new ATOM 1336 N VAL B 32 94.169 -10.413 30.192 1.00 0.00 N ATOM 1337 CA VAL B 32 93.772 -11.810 29.892 1.00 0.00 C ATOM 1338 C VAL B 32 93.835 -12.637 31.172 1.00 0.00 C ATOM 1339 O VAL B 32 92.968 -13.438 31.449 1.00 0.00 O ATOM 1340 CB VAL B 32 94.723 -12.400 28.848 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.466 -13.901 28.698 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.500 -11.702 27.503 1.00 0.00 C ATOM 0 H VAL B 32 95.049 -10.106 29.777 1.00 0.00 H new ATOM 0 HA VAL B 32 92.755 -11.826 29.499 1.00 0.00 H new ATOM 0 HB VAL B 32 95.752 -12.246 29.172 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.146 -14.314 27.953 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.632 -14.396 29.655 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.437 -14.064 28.379 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.177 -12.121 26.759 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.469 -11.852 27.182 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.695 -10.635 27.610 1.00 0.00 H new ATOM 1352 N ALA B 33 94.860 -12.453 31.946 1.00 0.00 N ATOM 1353 CA ALA B 33 94.982 -13.230 33.201 1.00 0.00 C ATOM 1354 C ALA B 33 93.823 -12.887 34.142 1.00 0.00 C ATOM 1355 O ALA B 33 93.205 -13.759 34.719 1.00 0.00 O ATOM 1356 CB ALA B 33 96.319 -12.913 33.873 1.00 0.00 C ATOM 0 H ALA B 33 95.620 -11.797 31.763 1.00 0.00 H new ATOM 0 HA ALA B 33 94.943 -14.295 32.971 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.407 -13.486 34.796 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.136 -13.179 33.202 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.368 -11.848 34.100 1.00 0.00 H new ATOM 1362 N LYS B 34 93.515 -11.631 34.305 1.00 0.00 N ATOM 1363 CA LYS B 34 92.394 -11.261 35.208 1.00 0.00 C ATOM 1364 C LYS B 34 91.075 -11.831 34.669 1.00 0.00 C ATOM 1365 O LYS B 34 90.247 -12.313 35.415 1.00 0.00 O ATOM 1366 CB LYS B 34 92.332 -9.739 35.332 1.00 0.00 C ATOM 1367 CG LYS B 34 93.534 -9.258 36.163 1.00 0.00 C ATOM 1368 CD LYS B 34 93.532 -7.734 36.250 1.00 0.00 C ATOM 1369 CE LYS B 34 94.602 -7.279 37.252 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.170 -7.618 38.637 1.00 0.00 N ATOM 0 H LYS B 34 93.989 -10.849 33.854 1.00 0.00 H new ATOM 0 HA LYS B 34 92.559 -11.685 36.199 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.349 -9.279 34.344 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.399 -9.437 35.808 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.490 -9.688 37.164 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.463 -9.603 35.708 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.730 -7.303 35.269 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.550 -7.378 36.563 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.553 -7.763 37.029 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.763 -6.205 37.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.684 -7.022 39.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.148 -7.450 38.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.376 -8.619 38.830 1.00 0.00 H new ATOM 1384 N GLU B 35 90.873 -11.783 33.378 1.00 0.00 N ATOM 1385 CA GLU B 35 89.606 -12.321 32.795 1.00 0.00 C ATOM 1386 C GLU B 35 89.482 -13.815 33.108 1.00 0.00 C ATOM 1387 O GLU B 35 88.414 -14.309 33.413 1.00 0.00 O ATOM 1388 CB GLU B 35 89.628 -12.146 31.273 1.00 0.00 C ATOM 1389 CG GLU B 35 88.218 -12.365 30.687 1.00 0.00 C ATOM 1390 CD GLU B 35 87.934 -13.865 30.550 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.824 -14.585 30.130 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.823 -14.265 30.870 1.00 0.00 O ATOM 0 H GLU B 35 91.530 -11.395 32.701 1.00 0.00 H new ATOM 0 HA GLU B 35 88.763 -11.780 33.225 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.983 -11.147 31.020 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.328 -12.854 30.829 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.471 -11.903 31.332 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.141 -11.882 29.713 1.00 0.00 H new ATOM 1399 N ILE B 36 90.564 -14.540 33.025 1.00 0.00 N ATOM 1400 CA ILE B 36 90.501 -15.998 33.307 1.00 0.00 C ATOM 1401 C ILE B 36 90.194 -16.205 34.791 1.00 0.00 C ATOM 1402 O ILE B 36 89.403 -17.051 35.162 1.00 0.00 O ATOM 1403 CB ILE B 36 91.842 -16.650 32.946 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.025 -16.634 31.422 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.852 -18.098 33.448 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.492 -16.896 31.072 1.00 0.00 C ATOM 0 H ILE B 36 91.487 -14.184 32.774 1.00 0.00 H new ATOM 0 HA ILE B 36 89.716 -16.460 32.709 1.00 0.00 H new ATOM 0 HB ILE B 36 92.656 -16.096 33.414 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.391 -17.393 30.963 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.712 -15.671 31.019 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.803 -18.565 33.193 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.721 -18.109 34.530 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.039 -18.652 32.978 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.616 -16.883 29.989 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.116 -16.121 31.517 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.790 -17.870 31.460 1.00 0.00 H new ATOM 1418 N VAL B 37 90.801 -15.422 35.637 1.00 0.00 N ATOM 1419 CA VAL B 37 90.538 -15.550 37.096 1.00 0.00 C ATOM 1420 C VAL B 37 89.071 -15.203 37.366 1.00 0.00 C ATOM 1421 O VAL B 37 88.415 -15.819 38.184 1.00 0.00 O ATOM 1422 CB VAL B 37 91.463 -14.585 37.859 1.00 0.00 C ATOM 1423 CG1 VAL B 37 91.185 -14.650 39.365 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.924 -14.973 37.596 1.00 0.00 C ATOM 0 H VAL B 37 91.470 -14.696 35.380 1.00 0.00 H new ATOM 0 HA VAL B 37 90.733 -16.569 37.430 1.00 0.00 H new ATOM 0 HB VAL B 37 91.276 -13.569 37.512 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.849 -13.961 39.888 1.00 0.00 H new ATOM 0 HG12 VAL B 37 90.149 -14.371 39.556 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.360 -15.664 39.724 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.584 -14.292 38.134 1.00 0.00 H new ATOM 0 HG22 VAL B 37 93.097 -15.993 37.939 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.131 -14.909 36.528 1.00 0.00 H new ATOM 1434 N ALA B 38 88.559 -14.214 36.689 1.00 0.00 N ATOM 1435 CA ALA B 38 87.139 -13.803 36.908 1.00 0.00 C ATOM 1436 C ALA B 38 86.189 -14.888 36.399 1.00 0.00 C ATOM 1437 O ALA B 38 85.082 -15.032 36.883 1.00 0.00 O ATOM 1438 CB ALA B 38 86.874 -12.499 36.157 1.00 0.00 C ATOM 0 H ALA B 38 89.063 -13.669 35.990 1.00 0.00 H new ATOM 0 HA ALA B 38 86.968 -13.659 37.975 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.839 -12.193 36.313 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.542 -11.722 36.530 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.052 -12.650 35.092 1.00 0.00 H new ATOM 1444 N SER B 39 86.595 -15.643 35.420 1.00 0.00 N ATOM 1445 CA SER B 39 85.699 -16.703 34.874 1.00 0.00 C ATOM 1446 C SER B 39 85.637 -17.882 35.852 1.00 0.00 C ATOM 1447 O SER B 39 84.634 -18.561 35.947 1.00 0.00 O ATOM 1448 CB SER B 39 86.247 -17.177 33.526 1.00 0.00 C ATOM 1449 OG SER B 39 86.224 -16.096 32.600 1.00 0.00 O ATOM 0 H SER B 39 87.509 -15.574 34.972 1.00 0.00 H new ATOM 0 HA SER B 39 84.695 -16.301 34.739 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.265 -17.547 33.645 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.648 -18.006 33.149 1.00 0.00 H new ATOM 0 HG SER B 39 86.946 -15.468 32.812 1.00 0.00 H new ATOM 1455 N CYS B 40 86.689 -18.133 36.585 1.00 0.00 N ATOM 1456 CA CYS B 40 86.663 -19.271 37.550 1.00 0.00 C ATOM 1457 C CYS B 40 85.813 -18.883 38.760 1.00 0.00 C ATOM 1458 O CYS B 40 86.111 -17.952 39.478 1.00 0.00 O ATOM 1459 CB CYS B 40 88.088 -19.609 37.998 1.00 0.00 C ATOM 1460 SG CYS B 40 88.038 -20.870 39.295 1.00 0.00 S ATOM 0 H CYS B 40 87.560 -17.603 36.558 1.00 0.00 H new ATOM 0 HA CYS B 40 86.231 -20.148 37.068 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.670 -19.969 37.150 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.585 -18.712 38.368 1.00 0.00 H new ATOM 0 HG CYS B 40 89.196 -21.456 39.375 1.00 0.00 H new ATOM 1465 N ASP B 41 84.745 -19.593 38.975 1.00 0.00 N ATOM 1466 CA ASP B 41 83.848 -19.281 40.118 1.00 0.00 C ATOM 1467 C ASP B 41 84.603 -19.414 41.447 1.00 0.00 C ATOM 1468 O ASP B 41 84.428 -18.619 42.351 1.00 0.00 O ATOM 1469 CB ASP B 41 82.684 -20.274 40.109 1.00 0.00 C ATOM 1470 CG ASP B 41 81.761 -19.985 38.921 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.088 -20.403 37.823 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.742 -19.351 39.132 1.00 0.00 O ATOM 0 H ASP B 41 84.452 -20.384 38.402 1.00 0.00 H new ATOM 0 HA ASP B 41 83.486 -18.258 40.019 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.065 -21.293 40.045 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.125 -20.200 41.042 1.00 0.00 H new ATOM 1477 N LYS B 42 85.438 -20.410 41.571 1.00 0.00 N ATOM 1478 CA LYS B 42 86.201 -20.600 42.842 1.00 0.00 C ATOM 1479 C LYS B 42 87.067 -19.380 43.131 1.00 0.00 C ATOM 1480 O LYS B 42 87.228 -18.971 44.265 1.00 0.00 O ATOM 1481 CB LYS B 42 87.106 -21.831 42.741 1.00 0.00 C ATOM 1482 CG LYS B 42 86.258 -23.102 42.745 1.00 0.00 C ATOM 1483 CD LYS B 42 87.184 -24.317 42.641 1.00 0.00 C ATOM 1484 CE LYS B 42 86.356 -25.607 42.642 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.496 -25.665 43.860 1.00 0.00 N ATOM 0 H LYS B 42 85.626 -21.103 40.846 1.00 0.00 H new ATOM 0 HA LYS B 42 85.481 -20.737 43.649 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.700 -21.783 41.828 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.806 -21.848 43.576 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.666 -23.157 43.658 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.557 -23.090 41.910 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.777 -24.256 41.728 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.884 -24.324 43.476 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.735 -25.650 41.747 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.018 -26.473 42.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.178 -26.643 44.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.041 -25.343 44.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.668 -25.049 43.730 1.00 0.00 H new ATOM 1499 N CYS B 43 87.645 -18.809 42.117 1.00 0.00 N ATOM 1500 CA CYS B 43 88.526 -17.628 42.331 1.00 0.00 C ATOM 1501 C CYS B 43 87.685 -16.387 42.649 1.00 0.00 C ATOM 1502 O CYS B 43 88.059 -15.562 43.458 1.00 0.00 O ATOM 1503 CB CYS B 43 89.312 -17.345 41.056 1.00 0.00 C ATOM 1504 SG CYS B 43 90.532 -18.651 40.772 1.00 0.00 S ATOM 0 H CYS B 43 87.547 -19.108 41.147 1.00 0.00 H new ATOM 0 HA CYS B 43 89.198 -17.845 43.162 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.631 -17.282 40.207 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.813 -16.380 41.135 1.00 0.00 H new ATOM 0 HG CYS B 43 90.015 -19.803 41.082 1.00 0.00 H new ATOM 1509 N GLN B 44 86.573 -16.232 41.986 1.00 0.00 N ATOM 1510 CA GLN B 44 85.728 -15.026 42.210 1.00 0.00 C ATOM 1511 C GLN B 44 84.973 -15.133 43.537 1.00 0.00 C ATOM 1512 O GLN B 44 85.337 -14.518 44.521 1.00 0.00 O ATOM 1513 CB GLN B 44 84.730 -14.909 41.054 1.00 0.00 C ATOM 1514 CG GLN B 44 83.998 -13.566 41.131 1.00 0.00 C ATOM 1515 CD GLN B 44 82.999 -13.465 39.974 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.814 -13.315 40.191 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.430 -13.550 38.742 1.00 0.00 N ATOM 0 H GLN B 44 86.212 -16.891 41.296 1.00 0.00 H new ATOM 0 HA GLN B 44 86.364 -14.142 42.252 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.252 -14.994 40.101 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.012 -15.728 41.098 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.477 -13.477 42.085 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.714 -12.746 41.081 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.425 -13.676 38.557 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.771 -13.490 37.966 1.00 0.00 H new