USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 680 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 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 44 GLN : amide:sc= -0.0461 K(o=-0.24,f=-1) USER MOD Set 2.2: B 44 GLN : amide:sc= -0.193 K(o=-0.24,f=-0.89) USER MOD Set 3.1: A 12 CYS SG : rot -28:sc=0.000635 USER MOD Set 3.2: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 144:sc= 1.06 (180deg=0.32) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -0.154 (180deg=-0.956) USER MOD Single : A 9 GLN : amide:sc= -0.0265 K(o=-0.027,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.113 (180deg=-0.79) USER MOD Single : A 15 TYR OH : rot -63:sc= 0.858 USER MOD Single : A 16 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-1.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00385 USER MOD Single : A 18 ASN : amide:sc= -0.0335 K(o=-0.034,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.143 (180deg=-1.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.23 F(o=-3.8!,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 0.927 (180deg=0.106) USER MOD Single : A 39 SER OG : rot 70:sc= 0.0138 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= -0.0591 (180deg=-0.5) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 1.02 (180deg=0.301) USER MOD Single : B 7 LYS NZ :NH3+ 155:sc= -0.119 (180deg=-0.939) USER MOD Single : B 9 GLN : amide:sc= -0.0368 K(o=-0.037,f=-1.2!) USER MOD Single : B 14 LYS NZ :NH3+ -159:sc= -0.136 (180deg=-0.829) USER MOD Single : B 15 TYR OH : rot -25:sc= 0.9 USER MOD Single : B 16 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.8!) USER MOD Single : B 17 SER OG : rot 180:sc=1.96e-05 USER MOD Single : B 18 ASN : amide:sc= -0.0364 K(o=-0.036,f=-2!) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.131 (180deg=-1.15) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -1.21 F(o=-3.9!,f=-1.2) USER MOD Single : B 34 LYS NZ :NH3+ -138:sc= 0.934 (180deg=0.0997) USER MOD Single : B 39 SER OG : rot 71:sc= 0.0116 USER MOD Single : B 42 LYS NZ :NH3+ -159:sc= -0.036 (180deg=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.430 -4.384 24.445 1.00 0.00 N ATOM 2 CA PHE A 1 95.205 -3.555 25.410 1.00 0.00 C ATOM 3 C PHE A 1 95.195 -2.101 24.943 1.00 0.00 C ATOM 4 O PHE A 1 96.223 -1.518 24.658 1.00 0.00 O ATOM 5 CB PHE A 1 96.641 -4.058 25.467 1.00 0.00 C ATOM 6 CG PHE A 1 96.650 -5.572 25.500 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.241 -6.250 26.655 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.066 -6.298 24.375 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.251 -7.653 26.684 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.076 -7.698 24.406 1.00 0.00 C ATOM 11 CZ PHE A 1 96.669 -8.374 25.560 1.00 0.00 C ATOM 0 H1 PHE A 1 94.878 -5.318 24.351 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.456 -4.501 24.791 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.413 -3.913 23.518 1.00 0.00 H new ATOM 0 HA PHE A 1 94.755 -3.625 26.400 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.197 -3.700 24.600 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.140 -3.662 26.351 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.918 -5.694 27.523 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.379 -5.776 23.483 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.936 -8.177 27.574 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.398 -8.255 23.539 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.677 -9.454 25.584 1.00 0.00 H new ATOM 23 N LEU A 2 94.034 -1.527 24.853 1.00 0.00 N ATOM 24 CA LEU A 2 93.908 -0.111 24.393 1.00 0.00 C ATOM 25 C LEU A 2 93.688 0.818 25.581 1.00 0.00 C ATOM 26 O LEU A 2 93.023 0.478 26.533 1.00 0.00 O ATOM 27 CB LEU A 2 92.718 0.013 23.435 1.00 0.00 C ATOM 28 CG LEU A 2 92.921 -0.901 22.220 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.696 -0.799 21.306 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.185 -0.484 21.444 1.00 0.00 C ATOM 0 H LEU A 2 93.150 -1.981 25.081 1.00 0.00 H new ATOM 0 HA LEU A 2 94.829 0.172 23.884 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.796 -0.255 23.951 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.611 1.047 23.108 1.00 0.00 H new ATOM 0 HG LEU A 2 93.044 -1.929 22.560 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.833 -1.446 20.440 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.806 -1.110 21.854 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.575 0.232 20.973 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.317 -1.141 20.584 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.079 0.545 21.101 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.055 -0.561 22.097 1.00 0.00 H new ATOM 42 N ASP A 3 94.228 2.004 25.515 1.00 0.00 N ATOM 43 CA ASP A 3 94.035 2.972 26.628 1.00 0.00 C ATOM 44 C ASP A 3 92.540 3.233 26.775 1.00 0.00 C ATOM 45 O ASP A 3 92.020 3.334 27.870 1.00 0.00 O ATOM 46 CB ASP A 3 94.755 4.286 26.307 1.00 0.00 C ATOM 47 CG ASP A 3 96.268 4.073 26.369 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.687 3.133 27.024 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.984 4.857 25.767 1.00 0.00 O ATOM 0 H ASP A 3 94.794 2.343 24.738 1.00 0.00 H new ATOM 0 HA ASP A 3 94.444 2.566 27.553 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.468 4.637 25.316 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.457 5.058 27.017 1.00 0.00 H new ATOM 54 N GLY A 4 91.838 3.331 25.677 1.00 0.00 N ATOM 55 CA GLY A 4 90.365 3.570 25.744 1.00 0.00 C ATOM 56 C GLY A 4 89.746 2.621 26.772 1.00 0.00 C ATOM 57 O GLY A 4 88.627 2.806 27.211 1.00 0.00 O ATOM 0 H GLY A 4 92.221 3.256 24.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.165 4.605 26.021 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.914 3.409 24.765 1.00 0.00 H new ATOM 61 N ILE A 5 90.472 1.611 27.170 1.00 0.00 N ATOM 62 CA ILE A 5 89.938 0.659 28.180 1.00 0.00 C ATOM 63 C ILE A 5 89.639 1.419 29.477 1.00 0.00 C ATOM 64 O ILE A 5 88.619 1.214 30.106 1.00 0.00 O ATOM 65 CB ILE A 5 90.971 -0.454 28.415 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.972 -1.393 27.206 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.619 -1.246 29.680 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.194 -2.313 27.266 1.00 0.00 C ATOM 0 H ILE A 5 91.414 1.406 26.837 1.00 0.00 H new ATOM 0 HA ILE A 5 89.013 0.204 27.826 1.00 0.00 H new ATOM 0 HB ILE A 5 91.958 -0.010 28.544 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.058 -1.987 27.194 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.987 -0.813 26.283 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.359 -2.031 29.835 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.616 -0.576 30.540 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.632 -1.694 29.566 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.190 -2.979 26.404 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.103 -1.712 27.256 1.00 0.00 H new ATOM 0 HD13 ILE A 5 92.160 -2.904 28.181 1.00 0.00 H new ATOM 80 N ASP A 6 90.504 2.311 29.868 1.00 0.00 N ATOM 81 CA ASP A 6 90.251 3.102 31.106 1.00 0.00 C ATOM 82 C ASP A 6 88.980 3.926 30.899 1.00 0.00 C ATOM 83 O ASP A 6 88.163 4.074 31.786 1.00 0.00 O ATOM 84 CB ASP A 6 91.433 4.040 31.371 1.00 0.00 C ATOM 85 CG ASP A 6 92.655 3.224 31.795 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.470 2.106 32.250 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.757 3.730 31.657 1.00 0.00 O ATOM 0 H ASP A 6 91.376 2.528 29.385 1.00 0.00 H new ATOM 0 HA ASP A 6 90.133 2.434 31.959 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.661 4.615 30.474 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.174 4.756 32.151 1.00 0.00 H new ATOM 92 N LYS A 7 88.817 4.465 29.722 1.00 0.00 N ATOM 93 CA LYS A 7 87.612 5.287 29.421 1.00 0.00 C ATOM 94 C LYS A 7 86.361 4.411 29.506 1.00 0.00 C ATOM 95 O LYS A 7 85.321 4.837 29.968 1.00 0.00 O ATOM 96 CB LYS A 7 87.742 5.864 28.009 1.00 0.00 C ATOM 97 CG LYS A 7 86.554 6.783 27.710 1.00 0.00 C ATOM 98 CD LYS A 7 86.705 7.368 26.304 1.00 0.00 C ATOM 99 CE LYS A 7 85.576 8.366 26.043 1.00 0.00 C ATOM 100 NZ LYS A 7 85.615 9.439 27.078 1.00 0.00 N ATOM 0 H LYS A 7 89.475 4.370 28.948 1.00 0.00 H new ATOM 0 HA LYS A 7 87.529 6.099 30.143 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.675 6.420 27.919 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.781 5.056 27.279 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.621 6.225 27.785 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.506 7.585 28.446 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.672 7.862 26.206 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.678 6.570 25.562 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.682 8.800 25.049 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.613 7.857 26.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.128 10.285 26.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.140 9.106 27.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.604 9.675 27.296 1.00 0.00 H new ATOM 114 N ALA A 8 86.456 3.190 29.060 1.00 0.00 N ATOM 115 CA ALA A 8 85.276 2.281 29.107 1.00 0.00 C ATOM 116 C ALA A 8 84.774 2.170 30.548 1.00 0.00 C ATOM 117 O ALA A 8 83.586 2.129 30.798 1.00 0.00 O ATOM 118 CB ALA A 8 85.689 0.896 28.606 1.00 0.00 C ATOM 0 H ALA A 8 87.302 2.781 28.664 1.00 0.00 H new ATOM 0 HA ALA A 8 84.482 2.679 28.476 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.830 0.226 28.638 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.051 0.973 27.581 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.481 0.500 29.242 1.00 0.00 H new ATOM 124 N GLN A 9 85.666 2.118 31.496 1.00 0.00 N ATOM 125 CA GLN A 9 85.237 2.008 32.919 1.00 0.00 C ATOM 126 C GLN A 9 84.374 3.211 33.308 1.00 0.00 C ATOM 127 O GLN A 9 83.407 3.083 34.031 1.00 0.00 O ATOM 128 CB GLN A 9 86.470 1.953 33.819 1.00 0.00 C ATOM 129 CG GLN A 9 87.182 0.613 33.633 1.00 0.00 C ATOM 130 CD GLN A 9 88.511 0.633 34.386 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.147 1.663 34.493 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.960 -0.468 34.923 1.00 0.00 N ATOM 0 H GLN A 9 86.675 2.147 31.348 1.00 0.00 H new ATOM 0 HA GLN A 9 84.650 1.098 33.042 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.147 2.772 33.576 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.178 2.079 34.861 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.555 -0.198 34.002 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.355 0.425 32.573 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.427 -1.333 34.834 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.844 -0.464 35.432 1.00 0.00 H new ATOM 141 N GLU A 10 84.725 4.382 32.858 1.00 0.00 N ATOM 142 CA GLU A 10 83.933 5.590 33.229 1.00 0.00 C ATOM 143 C GLU A 10 82.480 5.447 32.751 1.00 0.00 C ATOM 144 O GLU A 10 81.556 5.832 33.440 1.00 0.00 O ATOM 145 CB GLU A 10 84.568 6.830 32.583 1.00 0.00 C ATOM 146 CG GLU A 10 83.831 8.096 33.034 1.00 0.00 C ATOM 147 CD GLU A 10 83.980 8.270 34.548 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.920 7.720 35.098 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.152 8.950 35.132 1.00 0.00 O ATOM 0 H GLU A 10 85.525 4.557 32.250 1.00 0.00 H new ATOM 0 HA GLU A 10 83.934 5.696 34.314 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.620 6.895 32.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.528 6.744 31.497 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.234 8.967 32.517 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.776 8.028 32.768 1.00 0.00 H new ATOM 156 N GLU A 11 82.267 4.911 31.574 1.00 0.00 N ATOM 157 CA GLU A 11 80.868 4.763 31.046 1.00 0.00 C ATOM 158 C GLU A 11 80.352 3.332 31.246 1.00 0.00 C ATOM 159 O GLU A 11 79.330 2.959 30.705 1.00 0.00 O ATOM 160 CB GLU A 11 80.848 5.105 29.550 1.00 0.00 C ATOM 161 CG GLU A 11 81.055 6.614 29.353 1.00 0.00 C ATOM 162 CD GLU A 11 82.526 6.975 29.575 1.00 0.00 C ATOM 163 OE1 GLU A 11 83.344 6.073 29.580 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.808 8.153 29.728 1.00 0.00 O ATOM 0 H GLU A 11 83.000 4.568 30.953 1.00 0.00 H new ATOM 0 HA GLU A 11 80.219 5.445 31.596 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.631 4.552 29.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.898 4.800 29.111 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.749 6.903 28.348 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.427 7.169 30.049 1.00 0.00 H new ATOM 171 N CYS A 12 81.034 2.529 32.015 1.00 0.00 N ATOM 172 CA CYS A 12 80.552 1.129 32.233 1.00 0.00 C ATOM 173 C CYS A 12 79.064 1.146 32.598 1.00 0.00 C ATOM 174 O CYS A 12 78.298 0.312 32.158 1.00 0.00 O ATOM 175 CB CYS A 12 81.339 0.484 33.375 1.00 0.00 C ATOM 176 SG CYS A 12 80.859 -1.254 33.529 1.00 0.00 S ATOM 0 H CYS A 12 81.897 2.775 32.500 1.00 0.00 H new ATOM 0 HA CYS A 12 80.699 0.556 31.317 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.409 0.562 33.183 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.144 1.011 34.309 1.00 0.00 H new ATOM 0 HG CYS A 12 79.639 -1.406 33.107 1.00 0.00 H new ATOM 181 N GLU A 13 78.652 2.083 33.405 1.00 0.00 N ATOM 182 CA GLU A 13 77.218 2.154 33.806 1.00 0.00 C ATOM 183 C GLU A 13 76.339 2.340 32.567 1.00 0.00 C ATOM 184 O GLU A 13 75.264 1.783 32.468 1.00 0.00 O ATOM 185 CB GLU A 13 77.011 3.336 34.757 1.00 0.00 C ATOM 186 CG GLU A 13 75.551 3.380 35.221 1.00 0.00 C ATOM 187 CD GLU A 13 75.353 4.555 36.178 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.342 5.173 36.537 1.00 0.00 O ATOM 189 OE2 GLU A 13 74.216 4.820 36.533 1.00 0.00 O ATOM 0 H GLU A 13 79.249 2.806 33.806 1.00 0.00 H new ATOM 0 HA GLU A 13 76.941 1.227 34.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.673 3.242 35.618 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.271 4.268 34.255 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.889 3.482 34.361 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.288 2.446 35.717 1.00 0.00 H new ATOM 196 N LYS A 14 76.773 3.142 31.637 1.00 0.00 N ATOM 197 CA LYS A 14 75.947 3.388 30.422 1.00 0.00 C ATOM 198 C LYS A 14 75.732 2.077 29.656 1.00 0.00 C ATOM 199 O LYS A 14 74.683 1.856 29.085 1.00 0.00 O ATOM 200 CB LYS A 14 76.643 4.413 29.522 1.00 0.00 C ATOM 201 CG LYS A 14 76.604 5.788 30.200 1.00 0.00 C ATOM 202 CD LYS A 14 77.297 6.823 29.308 1.00 0.00 C ATOM 203 CE LYS A 14 77.258 8.196 29.986 1.00 0.00 C ATOM 204 NZ LYS A 14 75.848 8.563 30.299 1.00 0.00 N ATOM 0 H LYS A 14 77.664 3.638 31.665 1.00 0.00 H new ATOM 0 HA LYS A 14 74.976 3.780 30.725 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.675 4.113 29.340 1.00 0.00 H new ATOM 0 HB3 LYS A 14 76.148 4.458 28.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.571 6.085 30.383 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.099 5.740 31.170 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.330 6.526 29.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.802 6.871 28.338 1.00 0.00 H new ATOM 0 HE2 LYS A 14 77.850 8.177 30.901 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.703 8.947 29.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.773 9.595 30.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.227 8.246 29.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.559 8.104 31.186 1.00 0.00 H new ATOM 218 N TYR A 15 76.704 1.201 29.638 1.00 0.00 N ATOM 219 CA TYR A 15 76.525 -0.091 28.905 1.00 0.00 C ATOM 220 C TYR A 15 75.864 -1.110 29.836 1.00 0.00 C ATOM 221 O TYR A 15 75.345 -2.118 29.400 1.00 0.00 O ATOM 222 CB TYR A 15 77.888 -0.617 28.448 1.00 0.00 C ATOM 223 CG TYR A 15 78.521 0.386 27.513 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.188 0.382 26.153 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.433 1.326 28.007 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.769 1.317 25.288 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.012 2.262 27.142 1.00 0.00 C ATOM 228 CZ TYR A 15 79.680 2.257 25.782 1.00 0.00 C ATOM 229 OH TYR A 15 80.249 3.182 24.930 1.00 0.00 O ATOM 0 H TYR A 15 77.608 1.322 30.095 1.00 0.00 H new ATOM 0 HA TYR A 15 75.893 0.068 28.031 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.533 -0.786 29.310 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.770 -1.577 27.945 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.483 -0.342 25.771 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.690 1.329 29.056 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.514 1.313 24.239 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.715 2.988 27.524 1.00 0.00 H new ATOM 0 HH TYR A 15 80.791 2.718 24.258 1.00 0.00 H new ATOM 239 N HIS A 16 75.868 -0.845 31.116 1.00 0.00 N ATOM 240 CA HIS A 16 75.226 -1.780 32.086 1.00 0.00 C ATOM 241 C HIS A 16 75.862 -3.169 31.985 1.00 0.00 C ATOM 242 O HIS A 16 77.064 -3.312 31.877 1.00 0.00 O ATOM 243 CB HIS A 16 73.726 -1.883 31.795 1.00 0.00 C ATOM 244 CG HIS A 16 73.141 -0.502 31.662 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.003 0.352 32.748 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.647 0.183 30.580 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.445 1.492 32.298 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.209 1.438 30.987 1.00 0.00 N ATOM 0 H HIS A 16 76.291 -0.016 31.533 1.00 0.00 H new ATOM 0 HA HIS A 16 75.375 -1.393 33.094 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.561 -2.448 30.878 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.226 -2.425 32.598 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.605 -0.195 29.569 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.217 2.344 32.921 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.794 2.165 30.405 1.00 0.00 H new ATOM 257 N SER A 17 75.054 -4.194 32.035 1.00 0.00 N ATOM 258 CA SER A 17 75.585 -5.584 31.957 1.00 0.00 C ATOM 259 C SER A 17 75.822 -5.981 30.501 1.00 0.00 C ATOM 260 O SER A 17 76.357 -7.034 30.214 1.00 0.00 O ATOM 261 CB SER A 17 74.567 -6.537 32.570 1.00 0.00 C ATOM 262 OG SER A 17 73.312 -6.366 31.923 1.00 0.00 O ATOM 0 H SER A 17 74.040 -4.126 32.127 1.00 0.00 H new ATOM 0 HA SER A 17 76.530 -5.635 32.498 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.906 -7.567 32.463 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.468 -6.343 33.638 1.00 0.00 H new ATOM 0 HG SER A 17 72.656 -6.979 32.315 1.00 0.00 H new ATOM 268 N ASN A 18 75.423 -5.157 29.576 1.00 0.00 N ATOM 269 CA ASN A 18 75.623 -5.509 28.139 1.00 0.00 C ATOM 270 C ASN A 18 77.076 -5.252 27.742 1.00 0.00 C ATOM 271 O ASN A 18 77.401 -4.248 27.140 1.00 0.00 O ATOM 272 CB ASN A 18 74.709 -4.654 27.256 1.00 0.00 C ATOM 273 CG ASN A 18 73.253 -5.082 27.447 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.983 -6.173 27.906 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.297 -4.264 27.101 1.00 0.00 N ATOM 0 H ASN A 18 74.969 -4.260 29.748 1.00 0.00 H new ATOM 0 HA ASN A 18 75.382 -6.563 28.001 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.824 -3.600 27.511 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.995 -4.762 26.210 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.322 -4.541 27.216 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.525 -3.348 26.715 1.00 0.00 H new ATOM 282 N TRP A 19 77.951 -6.163 28.066 1.00 0.00 N ATOM 283 CA TRP A 19 79.382 -5.987 27.698 1.00 0.00 C ATOM 284 C TRP A 19 79.528 -6.131 26.180 1.00 0.00 C ATOM 285 O TRP A 19 80.480 -5.660 25.590 1.00 0.00 O ATOM 286 CB TRP A 19 80.219 -7.061 28.396 1.00 0.00 C ATOM 287 CG TRP A 19 79.729 -8.409 27.982 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.823 -9.149 28.662 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.085 -9.181 26.799 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.608 -10.331 27.976 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.361 -10.396 26.821 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.960 -8.949 25.720 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.498 -11.346 25.809 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.099 -9.904 24.701 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.369 -11.099 24.746 1.00 0.00 C ATOM 0 H TRP A 19 77.736 -7.023 28.571 1.00 0.00 H new ATOM 0 HA TRP A 19 79.727 -5.001 28.008 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.271 -6.947 28.134 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.146 -6.950 29.478 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.346 -8.864 29.588 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.971 -11.065 28.286 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.527 -8.031 25.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.934 -12.266 25.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.772 -9.717 23.878 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.480 -11.829 23.958 1.00 0.00 H new ATOM 306 N ARG A 20 78.589 -6.780 25.547 1.00 0.00 N ATOM 307 CA ARG A 20 78.665 -6.961 24.069 1.00 0.00 C ATOM 308 C ARG A 20 78.681 -5.591 23.391 1.00 0.00 C ATOM 309 O ARG A 20 79.400 -5.364 22.437 1.00 0.00 O ATOM 310 CB ARG A 20 77.437 -7.741 23.599 1.00 0.00 C ATOM 311 CG ARG A 20 77.538 -9.188 24.086 1.00 0.00 C ATOM 312 CD ARG A 20 76.303 -9.971 23.634 1.00 0.00 C ATOM 313 NE ARG A 20 76.365 -11.354 24.188 1.00 0.00 N ATOM 314 CZ ARG A 20 75.292 -12.094 24.221 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.159 -11.625 23.773 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.351 -13.304 24.705 1.00 0.00 N ATOM 0 H ARG A 20 77.770 -7.194 25.991 1.00 0.00 H new ATOM 0 HA ARG A 20 79.572 -7.507 23.811 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.529 -7.278 23.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.370 -7.715 22.511 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.441 -9.653 23.690 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.618 -9.212 25.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.397 -9.471 23.975 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.258 -10.005 22.545 1.00 0.00 H new ATOM 0 HE ARG A 20 77.248 -11.722 24.542 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.112 -10.678 23.396 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.321 -12.205 23.800 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.236 -13.670 25.057 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.512 -13.884 24.732 1.00 0.00 H new ATOM 330 N ALA A 21 77.898 -4.675 23.888 1.00 0.00 N ATOM 331 CA ALA A 21 77.862 -3.314 23.287 1.00 0.00 C ATOM 332 C ALA A 21 79.218 -2.643 23.506 1.00 0.00 C ATOM 333 O ALA A 21 79.732 -1.961 22.640 1.00 0.00 O ATOM 334 CB ALA A 21 76.762 -2.488 23.962 1.00 0.00 C ATOM 0 H ALA A 21 77.279 -4.811 24.687 1.00 0.00 H new ATOM 0 HA ALA A 21 77.653 -3.383 22.219 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.734 -1.491 23.523 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.798 -2.976 23.815 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.969 -2.409 25.029 1.00 0.00 H new ATOM 340 N MET A 22 79.803 -2.834 24.657 1.00 0.00 N ATOM 341 CA MET A 22 81.128 -2.211 24.935 1.00 0.00 C ATOM 342 C MET A 22 82.151 -2.717 23.914 1.00 0.00 C ATOM 343 O MET A 22 82.905 -1.953 23.343 1.00 0.00 O ATOM 344 CB MET A 22 81.589 -2.603 26.341 1.00 0.00 C ATOM 345 CG MET A 22 82.771 -1.727 26.758 1.00 0.00 C ATOM 346 SD MET A 22 83.617 -2.480 28.173 1.00 0.00 S ATOM 347 CE MET A 22 82.181 -2.619 29.263 1.00 0.00 C ATOM 0 H MET A 22 79.420 -3.395 25.418 1.00 0.00 H new ATOM 0 HA MET A 22 81.042 -1.127 24.865 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.769 -2.485 27.049 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.878 -3.654 26.360 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.465 -1.614 25.925 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.422 -0.728 27.020 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.516 -2.704 30.297 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.556 -1.733 29.156 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.604 -3.504 28.994 1.00 0.00 H new ATOM 357 N ALA A 23 82.183 -4.002 23.681 1.00 0.00 N ATOM 358 CA ALA A 23 83.157 -4.561 22.700 1.00 0.00 C ATOM 359 C ALA A 23 82.910 -3.947 21.318 1.00 0.00 C ATOM 360 O ALA A 23 83.833 -3.634 20.593 1.00 0.00 O ATOM 361 CB ALA A 23 82.977 -6.080 22.625 1.00 0.00 C ATOM 0 H ALA A 23 81.576 -4.689 24.128 1.00 0.00 H new ATOM 0 HA ALA A 23 84.172 -4.325 23.019 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.686 -6.496 21.909 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.155 -6.516 23.608 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.961 -6.311 22.305 1.00 0.00 H new ATOM 367 N SER A 24 81.670 -3.779 20.948 1.00 0.00 N ATOM 368 CA SER A 24 81.360 -3.194 19.612 1.00 0.00 C ATOM 369 C SER A 24 81.807 -1.732 19.570 1.00 0.00 C ATOM 370 O SER A 24 82.238 -1.234 18.549 1.00 0.00 O ATOM 371 CB SER A 24 79.856 -3.275 19.352 1.00 0.00 C ATOM 372 OG SER A 24 79.558 -2.650 18.109 1.00 0.00 O ATOM 0 H SER A 24 80.857 -4.022 21.514 1.00 0.00 H new ATOM 0 HA SER A 24 81.892 -3.755 18.844 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.534 -4.316 19.335 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.309 -2.786 20.158 1.00 0.00 H new ATOM 0 HG SER A 24 78.594 -2.702 17.939 1.00 0.00 H new ATOM 378 N ASP A 25 81.695 -1.036 20.666 1.00 0.00 N ATOM 379 CA ASP A 25 82.101 0.397 20.681 1.00 0.00 C ATOM 380 C ASP A 25 83.621 0.504 20.567 1.00 0.00 C ATOM 381 O ASP A 25 84.145 1.310 19.825 1.00 0.00 O ATOM 382 CB ASP A 25 81.661 1.026 22.002 1.00 0.00 C ATOM 383 CG ASP A 25 81.823 2.544 21.926 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.466 3.005 20.997 1.00 0.00 O ATOM 385 OD2 ASP A 25 81.302 3.220 22.797 1.00 0.00 O ATOM 0 H ASP A 25 81.340 -1.397 21.552 1.00 0.00 H new ATOM 0 HA ASP A 25 81.634 0.914 19.842 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.622 0.771 22.210 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.257 0.627 22.823 1.00 0.00 H new ATOM 390 N PHE A 26 84.329 -0.302 21.306 1.00 0.00 N ATOM 391 CA PHE A 26 85.824 -0.260 21.264 1.00 0.00 C ATOM 392 C PHE A 26 86.347 -1.331 20.301 1.00 0.00 C ATOM 393 O PHE A 26 87.537 -1.471 20.098 1.00 0.00 O ATOM 394 CB PHE A 26 86.369 -0.505 22.671 1.00 0.00 C ATOM 395 CG PHE A 26 86.045 0.691 23.535 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.832 0.743 24.232 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.958 1.750 23.638 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.530 1.853 25.030 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.656 2.859 24.437 1.00 0.00 C ATOM 400 CZ PHE A 26 85.442 2.911 25.133 1.00 0.00 C ATOM 0 H PHE A 26 83.937 -0.995 21.944 1.00 0.00 H new ATOM 0 HA PHE A 26 86.156 0.717 20.912 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.928 -1.407 23.095 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.447 -0.664 22.636 1.00 0.00 H new ATOM 0 HD1 PHE A 26 84.129 -0.073 24.154 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.894 1.710 23.101 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.593 1.893 25.566 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.359 3.675 24.517 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.209 3.767 25.749 1.00 0.00 H new ATOM 410 N ASN A 27 85.464 -2.077 19.698 1.00 0.00 N ATOM 411 CA ASN A 27 85.897 -3.127 18.733 1.00 0.00 C ATOM 412 C ASN A 27 86.936 -4.051 19.375 1.00 0.00 C ATOM 413 O ASN A 27 87.938 -4.382 18.772 1.00 0.00 O ATOM 414 CB ASN A 27 86.494 -2.455 17.494 1.00 0.00 C ATOM 415 CG ASN A 27 85.419 -1.607 16.812 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.166 -1.772 17.140 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.721 -0.782 15.973 1.00 0.00 N flip ATOM 0 H ASN A 27 84.456 -2.004 19.833 1.00 0.00 H new ATOM 0 HA ASN A 27 85.033 -3.727 18.447 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.341 -1.830 17.777 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.871 -3.209 16.803 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.699 -0.651 15.715 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.996 -0.220 15.526 1.00 0.00 H new ATOM 424 N LEU A 28 86.697 -4.482 20.591 1.00 0.00 N ATOM 425 CA LEU A 28 87.656 -5.406 21.285 1.00 0.00 C ATOM 426 C LEU A 28 86.967 -6.760 21.493 1.00 0.00 C ATOM 427 O LEU A 28 85.763 -6.823 21.629 1.00 0.00 O ATOM 428 CB LEU A 28 88.013 -4.826 22.659 1.00 0.00 C ATOM 429 CG LEU A 28 88.949 -3.612 22.508 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.881 -2.755 23.778 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.401 -4.081 22.306 1.00 0.00 C ATOM 0 H LEU A 28 85.873 -4.232 21.138 1.00 0.00 H new ATOM 0 HA LEU A 28 88.558 -5.523 20.684 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.104 -4.528 23.182 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.495 -5.590 23.268 1.00 0.00 H new ATOM 0 HG LEU A 28 88.632 -3.030 21.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.543 -1.895 23.673 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.858 -2.409 23.929 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.193 -3.350 24.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.052 -3.213 22.201 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.717 -4.669 23.168 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.464 -4.693 21.406 1.00 0.00 H new ATOM 443 N PRO A 29 87.711 -7.839 21.526 1.00 0.00 N ATOM 444 CA PRO A 29 87.124 -9.197 21.729 1.00 0.00 C ATOM 445 C PRO A 29 86.612 -9.384 23.171 1.00 0.00 C ATOM 446 O PRO A 29 87.110 -8.761 24.089 1.00 0.00 O ATOM 447 CB PRO A 29 88.295 -10.146 21.427 1.00 0.00 C ATOM 448 CG PRO A 29 89.521 -9.345 21.727 1.00 0.00 C ATOM 449 CD PRO A 29 89.178 -7.896 21.375 1.00 0.00 C ATOM 0 HA PRO A 29 86.257 -9.377 21.093 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.247 -11.043 22.045 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.281 -10.474 20.388 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.798 -9.436 22.777 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.370 -9.698 21.141 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.677 -7.193 22.042 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.486 -7.646 20.360 1.00 0.00 H new ATOM 457 N PRO A 30 85.630 -10.232 23.377 1.00 0.00 N ATOM 458 CA PRO A 30 85.064 -10.483 24.733 1.00 0.00 C ATOM 459 C PRO A 30 86.146 -10.554 25.826 1.00 0.00 C ATOM 460 O PRO A 30 85.859 -10.414 26.999 1.00 0.00 O ATOM 461 CB PRO A 30 84.367 -11.844 24.582 1.00 0.00 C ATOM 462 CG PRO A 30 83.977 -11.936 23.136 1.00 0.00 C ATOM 463 CD PRO A 30 84.948 -11.041 22.347 1.00 0.00 C ATOM 0 HA PRO A 30 84.400 -9.677 25.047 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.034 -12.660 24.861 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.493 -11.911 25.229 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.034 -12.967 22.787 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.948 -11.607 22.993 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.660 -11.636 21.775 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.416 -10.410 21.635 1.00 0.00 H new ATOM 471 N VAL A 31 87.377 -10.794 25.456 1.00 0.00 N ATOM 472 CA VAL A 31 88.453 -10.898 26.488 1.00 0.00 C ATOM 473 C VAL A 31 88.567 -9.593 27.282 1.00 0.00 C ATOM 474 O VAL A 31 88.607 -9.596 28.497 1.00 0.00 O ATOM 475 CB VAL A 31 89.801 -11.181 25.802 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.953 -11.048 26.812 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.796 -12.601 25.233 1.00 0.00 C ATOM 0 H VAL A 31 87.683 -10.922 24.491 1.00 0.00 H new ATOM 0 HA VAL A 31 88.199 -11.711 27.169 1.00 0.00 H new ATOM 0 HB VAL A 31 89.944 -10.458 24.999 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.900 -11.251 26.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.966 -10.036 27.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.810 -11.762 27.623 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.751 -12.802 24.747 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.643 -13.316 26.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.991 -12.698 24.505 1.00 0.00 H new ATOM 487 N VAL A 32 88.654 -8.481 26.607 1.00 0.00 N ATOM 488 CA VAL A 32 88.804 -7.184 27.325 1.00 0.00 C ATOM 489 C VAL A 32 87.469 -6.728 27.914 1.00 0.00 C ATOM 490 O VAL A 32 87.408 -6.267 29.034 1.00 0.00 O ATOM 491 CB VAL A 32 89.328 -6.125 26.355 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.546 -4.797 27.097 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.651 -6.609 25.754 1.00 0.00 C ATOM 0 H VAL A 32 88.628 -8.414 25.590 1.00 0.00 H new ATOM 0 HA VAL A 32 89.511 -7.319 28.144 1.00 0.00 H new ATOM 0 HB VAL A 32 88.600 -5.966 25.559 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.919 -4.047 26.399 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.601 -4.458 27.522 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.272 -4.942 27.897 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.032 -5.859 25.061 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.377 -6.767 26.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.487 -7.546 25.221 1.00 0.00 H new ATOM 503 N ALA A 33 86.399 -6.837 27.176 1.00 0.00 N ATOM 504 CA ALA A 33 85.089 -6.385 27.723 1.00 0.00 C ATOM 505 C ALA A 33 84.769 -7.183 28.985 1.00 0.00 C ATOM 506 O ALA A 33 84.414 -6.632 30.009 1.00 0.00 O ATOM 507 CB ALA A 33 83.991 -6.596 26.677 1.00 0.00 C ATOM 0 H ALA A 33 86.374 -7.215 26.229 1.00 0.00 H new ATOM 0 HA ALA A 33 85.141 -5.324 27.969 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.035 -6.264 27.081 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.226 -6.020 25.782 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.930 -7.654 26.422 1.00 0.00 H new ATOM 513 N LYS A 34 84.901 -8.475 28.924 1.00 0.00 N ATOM 514 CA LYS A 34 84.617 -9.308 30.122 1.00 0.00 C ATOM 515 C LYS A 34 85.551 -8.888 31.259 1.00 0.00 C ATOM 516 O LYS A 34 85.163 -8.825 32.409 1.00 0.00 O ATOM 517 CB LYS A 34 84.859 -10.782 29.786 1.00 0.00 C ATOM 518 CG LYS A 34 83.782 -11.296 28.817 1.00 0.00 C ATOM 519 CD LYS A 34 82.480 -11.607 29.567 1.00 0.00 C ATOM 520 CE LYS A 34 81.530 -12.360 28.637 1.00 0.00 C ATOM 521 NZ LYS A 34 80.219 -12.550 29.319 1.00 0.00 N ATOM 0 H LYS A 34 85.194 -8.992 28.095 1.00 0.00 H new ATOM 0 HA LYS A 34 83.580 -9.170 30.427 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.846 -10.902 29.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.848 -11.376 30.700 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.594 -10.549 28.046 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.139 -12.193 28.311 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.691 -12.206 30.453 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.015 -10.683 29.910 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.393 -11.803 27.710 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.956 -13.326 28.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.877 -13.518 29.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.334 -12.396 30.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.529 -11.869 28.941 1.00 0.00 H new ATOM 535 N GLU A 35 86.787 -8.615 30.943 1.00 0.00 N ATOM 536 CA GLU A 35 87.764 -8.212 31.994 1.00 0.00 C ATOM 537 C GLU A 35 87.308 -6.917 32.670 1.00 0.00 C ATOM 538 O GLU A 35 87.421 -6.766 33.870 1.00 0.00 O ATOM 539 CB GLU A 35 89.133 -7.994 31.343 1.00 0.00 C ATOM 540 CG GLU A 35 90.188 -7.707 32.420 1.00 0.00 C ATOM 541 CD GLU A 35 90.082 -6.253 32.894 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.515 -5.449 32.172 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.572 -5.969 33.974 1.00 0.00 O ATOM 0 H GLU A 35 87.164 -8.654 29.996 1.00 0.00 H new ATOM 0 HA GLU A 35 87.829 -8.997 32.747 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.417 -8.877 30.770 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.082 -7.162 30.641 1.00 0.00 H new ATOM 0 HG2 GLU A 35 90.049 -8.383 33.264 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.185 -7.895 32.021 1.00 0.00 H new ATOM 550 N ILE A 36 86.797 -5.980 31.921 1.00 0.00 N ATOM 551 CA ILE A 36 86.346 -4.706 32.548 1.00 0.00 C ATOM 552 C ILE A 36 85.206 -5.014 33.522 1.00 0.00 C ATOM 553 O ILE A 36 85.151 -4.485 34.614 1.00 0.00 O ATOM 554 CB ILE A 36 85.875 -3.739 31.459 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.063 -3.383 30.558 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.335 -2.464 32.107 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.569 -2.633 29.319 1.00 0.00 C ATOM 0 H ILE A 36 86.673 -6.040 30.910 1.00 0.00 H new ATOM 0 HA ILE A 36 87.168 -4.241 33.092 1.00 0.00 H new ATOM 0 HB ILE A 36 85.088 -4.208 30.868 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.775 -2.767 31.107 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.589 -4.290 30.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 85.000 -1.776 31.331 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.497 -2.713 32.758 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.123 -1.993 32.695 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.418 -2.383 28.683 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.874 -3.264 28.765 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.063 -1.718 29.626 1.00 0.00 H new ATOM 569 N VAL A 37 84.320 -5.893 33.149 1.00 0.00 N ATOM 570 CA VAL A 37 83.207 -6.269 34.067 1.00 0.00 C ATOM 571 C VAL A 37 83.818 -6.974 35.280 1.00 0.00 C ATOM 572 O VAL A 37 83.411 -6.770 36.406 1.00 0.00 O ATOM 573 CB VAL A 37 82.241 -7.210 33.341 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.237 -7.798 34.340 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.490 -6.423 32.263 1.00 0.00 C ATOM 0 H VAL A 37 84.317 -6.369 32.247 1.00 0.00 H new ATOM 0 HA VAL A 37 82.654 -5.385 34.386 1.00 0.00 H new ATOM 0 HB VAL A 37 82.802 -8.023 32.881 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.553 -8.466 33.817 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.772 -8.355 35.109 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.671 -6.991 34.805 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.800 -7.087 31.742 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.931 -5.611 32.728 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.204 -6.010 31.550 1.00 0.00 H new ATOM 585 N ALA A 38 84.802 -7.801 35.045 1.00 0.00 N ATOM 586 CA ALA A 38 85.463 -8.530 36.164 1.00 0.00 C ATOM 587 C ALA A 38 86.004 -7.522 37.185 1.00 0.00 C ATOM 588 O ALA A 38 86.314 -7.872 38.306 1.00 0.00 O ATOM 589 CB ALA A 38 86.619 -9.374 35.612 1.00 0.00 C ATOM 0 H ALA A 38 85.178 -8.003 34.119 1.00 0.00 H new ATOM 0 HA ALA A 38 84.738 -9.182 36.651 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.103 -9.908 36.430 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.232 -10.092 34.889 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.344 -8.723 35.124 1.00 0.00 H new ATOM 595 N SER A 39 86.121 -6.272 36.810 1.00 0.00 N ATOM 596 CA SER A 39 86.642 -5.250 37.771 1.00 0.00 C ATOM 597 C SER A 39 85.461 -4.582 38.471 1.00 0.00 C ATOM 598 O SER A 39 85.442 -4.436 39.678 1.00 0.00 O ATOM 599 CB SER A 39 87.439 -4.189 37.009 1.00 0.00 C ATOM 600 OG SER A 39 88.509 -4.813 36.314 1.00 0.00 O ATOM 0 H SER A 39 85.880 -5.916 35.885 1.00 0.00 H new ATOM 0 HA SER A 39 87.288 -5.732 38.504 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.790 -3.666 36.307 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.827 -3.442 37.702 1.00 0.00 H new ATOM 0 HG SER A 39 88.152 -5.344 35.572 1.00 0.00 H new ATOM 606 N CYS A 40 84.469 -4.188 37.726 1.00 0.00 N ATOM 607 CA CYS A 40 83.283 -3.544 38.352 1.00 0.00 C ATOM 608 C CYS A 40 82.670 -4.520 39.362 1.00 0.00 C ATOM 609 O CYS A 40 82.372 -5.652 39.038 1.00 0.00 O ATOM 610 CB CYS A 40 82.262 -3.201 37.262 1.00 0.00 C ATOM 611 SG CYS A 40 81.173 -1.878 37.841 1.00 0.00 S ATOM 0 H CYS A 40 84.428 -4.284 36.711 1.00 0.00 H new ATOM 0 HA CYS A 40 83.575 -2.627 38.865 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.777 -2.890 36.353 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.675 -4.084 37.009 1.00 0.00 H new ATOM 0 HG CYS A 40 80.310 -1.589 36.913 1.00 0.00 H new ATOM 616 N ASP A 41 82.490 -4.098 40.582 1.00 0.00 N ATOM 617 CA ASP A 41 81.909 -5.011 41.606 1.00 0.00 C ATOM 618 C ASP A 41 80.391 -5.087 41.429 1.00 0.00 C ATOM 619 O ASP A 41 79.750 -6.023 41.865 1.00 0.00 O ATOM 620 CB ASP A 41 82.230 -4.470 43.001 1.00 0.00 C ATOM 621 CG ASP A 41 83.737 -4.558 43.247 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.373 -5.386 42.616 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.229 -3.795 44.062 1.00 0.00 O ATOM 0 H ASP A 41 82.720 -3.161 40.915 1.00 0.00 H new ATOM 0 HA ASP A 41 82.335 -6.007 41.488 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.896 -3.436 43.087 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.693 -5.043 43.757 1.00 0.00 H new ATOM 628 N LYS A 42 79.809 -4.103 40.803 1.00 0.00 N ATOM 629 CA LYS A 42 78.332 -4.110 40.610 1.00 0.00 C ATOM 630 C LYS A 42 77.947 -5.074 39.483 1.00 0.00 C ATOM 631 O LYS A 42 77.036 -5.867 39.617 1.00 0.00 O ATOM 632 CB LYS A 42 77.875 -2.697 40.252 1.00 0.00 C ATOM 633 CG LYS A 42 78.211 -1.756 41.408 1.00 0.00 C ATOM 634 CD LYS A 42 77.761 -0.336 41.065 1.00 0.00 C ATOM 635 CE LYS A 42 78.101 0.597 42.229 1.00 0.00 C ATOM 636 NZ LYS A 42 77.291 0.210 43.419 1.00 0.00 N ATOM 0 H LYS A 42 80.293 -3.293 40.416 1.00 0.00 H new ATOM 0 HA LYS A 42 77.849 -4.439 41.530 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.368 -2.362 39.339 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.802 -2.686 40.058 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.718 -2.094 42.319 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.284 -1.771 41.602 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.255 0.004 40.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.688 -0.319 40.871 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.164 0.535 42.462 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.894 1.631 41.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.825 1.053 43.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.570 -0.484 43.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.912 -0.209 44.140 1.00 0.00 H new ATOM 650 N CYS A 43 78.626 -5.005 38.370 1.00 0.00 N ATOM 651 CA CYS A 43 78.287 -5.911 37.234 1.00 0.00 C ATOM 652 C CYS A 43 78.875 -7.305 37.474 1.00 0.00 C ATOM 653 O CYS A 43 78.338 -8.297 37.024 1.00 0.00 O ATOM 654 CB CYS A 43 78.846 -5.332 35.932 1.00 0.00 C ATOM 655 SG CYS A 43 78.028 -3.757 35.572 1.00 0.00 S ATOM 0 H CYS A 43 79.399 -4.362 38.198 1.00 0.00 H new ATOM 0 HA CYS A 43 77.203 -5.995 37.159 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.922 -5.183 36.020 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.687 -6.032 35.112 1.00 0.00 H new ATOM 0 HG CYS A 43 78.504 -3.263 34.467 1.00 0.00 H new ATOM 660 N GLN A 44 79.977 -7.393 38.168 1.00 0.00 N ATOM 661 CA GLN A 44 80.594 -8.730 38.416 1.00 0.00 C ATOM 662 C GLN A 44 79.739 -9.541 39.393 1.00 0.00 C ATOM 663 O GLN A 44 79.276 -10.620 39.079 1.00 0.00 O ATOM 664 CB GLN A 44 81.997 -8.554 39.000 1.00 0.00 C ATOM 665 CG GLN A 44 82.654 -9.928 39.148 1.00 0.00 C ATOM 666 CD GLN A 44 84.117 -9.758 39.563 1.00 0.00 C ATOM 667 OE1 GLN A 44 85.000 -10.343 38.968 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.414 -8.973 40.561 1.00 0.00 N ATOM 0 H GLN A 44 80.476 -6.601 38.573 1.00 0.00 H new ATOM 0 HA GLN A 44 80.655 -9.264 37.468 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.598 -7.918 38.350 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.941 -8.057 39.969 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.121 -10.518 39.893 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.594 -10.474 38.206 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.673 -8.481 41.061 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.387 -8.851 40.841 1.00 0.00 H new ATOM 677 N LEU A 45 79.541 -9.040 40.580 1.00 0.00 N ATOM 678 CA LEU A 45 78.732 -9.792 41.586 1.00 0.00 C ATOM 679 C LEU A 45 77.247 -9.473 41.395 1.00 0.00 C ATOM 680 O LEU A 45 76.842 -8.328 41.402 1.00 0.00 O ATOM 681 CB LEU A 45 79.168 -9.375 42.995 1.00 0.00 C ATOM 682 CG LEU A 45 80.667 -9.652 43.176 1.00 0.00 C ATOM 683 CD1 LEU A 45 81.134 -9.062 44.510 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.935 -11.167 43.161 1.00 0.00 C ATOM 0 H LEU A 45 79.904 -8.142 40.900 1.00 0.00 H new ATOM 0 HA LEU A 45 78.889 -10.863 41.454 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.963 -8.316 43.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.594 -9.924 43.741 1.00 0.00 H new ATOM 0 HG LEU A 45 81.216 -9.190 42.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.198 -9.257 44.641 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.959 -7.986 44.513 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.577 -9.522 45.326 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.002 -11.349 43.290 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.385 -11.642 43.973 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.608 -11.585 42.209 1.00 0.00 H new ATOM 839 N PHE B 1 95.861 -12.071 23.562 1.00 0.00 N ATOM 840 CA PHE B 1 94.912 -12.913 22.777 1.00 0.00 C ATOM 841 C PHE B 1 95.657 -14.127 22.227 1.00 0.00 C ATOM 842 O PHE B 1 95.759 -14.322 21.032 1.00 0.00 O ATOM 843 CB PHE B 1 94.352 -12.097 21.619 1.00 0.00 C ATOM 844 CG PHE B 1 93.999 -10.709 22.104 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.891 -10.518 22.937 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.782 -9.610 21.721 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.565 -9.231 23.386 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.455 -8.325 22.170 1.00 0.00 C ATOM 849 CZ PHE B 1 93.347 -8.135 23.002 1.00 0.00 C ATOM 0 H1 PHE B 1 95.752 -11.075 23.285 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.657 -12.172 24.577 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.836 -12.378 23.373 1.00 0.00 H new ATOM 0 HA PHE B 1 94.095 -13.242 23.419 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.085 -12.037 20.814 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.468 -12.586 21.209 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.287 -11.363 23.234 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.638 -9.755 21.079 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.710 -9.085 24.029 1.00 0.00 H new ATOM 0 HE2 PHE B 1 95.059 -7.480 21.874 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.095 -7.144 23.348 1.00 0.00 H new ATOM 861 N LEU B 2 96.187 -14.930 23.099 1.00 0.00 N ATOM 862 CA LEU B 2 96.951 -16.140 22.666 1.00 0.00 C ATOM 863 C LEU B 2 96.097 -17.393 22.816 1.00 0.00 C ATOM 864 O LEU B 2 95.319 -17.521 23.733 1.00 0.00 O ATOM 865 CB LEU B 2 98.209 -16.286 23.529 1.00 0.00 C ATOM 866 CG LEU B 2 99.098 -15.043 23.385 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.321 -15.194 24.296 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.557 -14.884 21.923 1.00 0.00 C ATOM 0 H LEU B 2 96.126 -14.803 24.109 1.00 0.00 H new ATOM 0 HA LEU B 2 97.227 -16.021 21.618 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.929 -16.422 24.573 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.763 -17.175 23.229 1.00 0.00 H new ATOM 0 HG LEU B 2 98.530 -14.158 23.672 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.958 -14.315 24.199 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.994 -15.293 25.331 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.883 -16.082 24.007 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.187 -13.999 21.834 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.124 -15.765 21.622 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.685 -14.776 21.278 1.00 0.00 H new ATOM 880 N ASP B 3 96.257 -18.329 21.924 1.00 0.00 N ATOM 881 CA ASP B 3 95.473 -19.590 22.020 1.00 0.00 C ATOM 882 C ASP B 3 95.805 -20.256 23.352 1.00 0.00 C ATOM 883 O ASP B 3 94.945 -20.784 24.027 1.00 0.00 O ATOM 884 CB ASP B 3 95.847 -20.525 20.869 1.00 0.00 C ATOM 885 CG ASP B 3 95.317 -19.956 19.551 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.390 -19.165 19.600 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.844 -20.325 18.514 1.00 0.00 O ATOM 0 H ASP B 3 96.897 -18.275 21.132 1.00 0.00 H new ATOM 0 HA ASP B 3 94.406 -19.374 21.960 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.930 -20.640 20.818 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.429 -21.517 21.043 1.00 0.00 H new ATOM 892 N GLY B 4 97.053 -20.220 23.740 1.00 0.00 N ATOM 893 CA GLY B 4 97.454 -20.833 25.039 1.00 0.00 C ATOM 894 C GLY B 4 96.467 -20.406 26.129 1.00 0.00 C ATOM 895 O GLY B 4 96.410 -20.986 27.193 1.00 0.00 O ATOM 0 H GLY B 4 97.813 -19.791 23.211 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.469 -21.919 24.952 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.464 -20.521 25.305 1.00 0.00 H new ATOM 899 N ILE B 5 95.678 -19.400 25.861 1.00 0.00 N ATOM 900 CA ILE B 5 94.684 -18.944 26.868 1.00 0.00 C ATOM 901 C ILE B 5 93.713 -20.092 27.167 1.00 0.00 C ATOM 902 O ILE B 5 93.371 -20.344 28.304 1.00 0.00 O ATOM 903 CB ILE B 5 93.939 -17.717 26.319 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.873 -16.506 26.371 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.688 -17.437 27.158 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.280 -15.361 25.545 1.00 0.00 C ATOM 0 H ILE B 5 95.681 -18.875 24.986 1.00 0.00 H new ATOM 0 HA ILE B 5 95.181 -18.660 27.796 1.00 0.00 H new ATOM 0 HB ILE B 5 93.634 -17.910 25.290 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.014 -16.187 27.404 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.856 -16.776 25.984 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.170 -16.565 26.758 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.025 -18.301 27.122 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.978 -17.245 28.191 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.948 -14.500 25.584 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.162 -15.682 24.510 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.307 -15.085 25.952 1.00 0.00 H new ATOM 918 N ASP B 6 93.290 -20.805 26.160 1.00 0.00 N ATOM 919 CA ASP B 6 92.370 -21.953 26.398 1.00 0.00 C ATOM 920 C ASP B 6 93.092 -22.982 27.266 1.00 0.00 C ATOM 921 O ASP B 6 92.521 -23.579 28.157 1.00 0.00 O ATOM 922 CB ASP B 6 91.983 -22.592 25.061 1.00 0.00 C ATOM 923 CG ASP B 6 91.070 -21.646 24.279 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.463 -20.791 24.901 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.995 -21.796 23.070 1.00 0.00 O ATOM 0 H ASP B 6 93.541 -20.643 25.185 1.00 0.00 H new ATOM 0 HA ASP B 6 91.466 -21.607 26.899 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.879 -22.811 24.480 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.476 -23.541 25.234 1.00 0.00 H new ATOM 930 N LYS B 7 94.352 -23.190 27.001 1.00 0.00 N ATOM 931 CA LYS B 7 95.146 -24.173 27.789 1.00 0.00 C ATOM 932 C LYS B 7 95.234 -23.709 29.245 1.00 0.00 C ATOM 933 O LYS B 7 95.183 -24.501 30.164 1.00 0.00 O ATOM 934 CB LYS B 7 96.554 -24.270 27.192 1.00 0.00 C ATOM 935 CG LYS B 7 97.358 -25.337 27.936 1.00 0.00 C ATOM 936 CD LYS B 7 98.755 -25.440 27.322 1.00 0.00 C ATOM 937 CE LYS B 7 99.525 -26.580 27.993 1.00 0.00 C ATOM 938 NZ LYS B 7 98.770 -27.855 27.824 1.00 0.00 N ATOM 0 H LYS B 7 94.871 -22.715 26.263 1.00 0.00 H new ATOM 0 HA LYS B 7 94.665 -25.150 27.754 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.494 -24.519 26.133 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.057 -23.306 27.264 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.431 -25.082 28.993 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.850 -26.299 27.875 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.680 -25.619 26.249 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.291 -24.500 27.451 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.518 -26.671 27.553 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.665 -26.365 29.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.428 -28.658 27.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.058 -27.939 28.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.296 -27.858 26.898 1.00 0.00 H new ATOM 952 N ALA B 8 95.369 -22.430 29.459 1.00 0.00 N ATOM 953 CA ALA B 8 95.465 -21.908 30.852 1.00 0.00 C ATOM 954 C ALA B 8 94.234 -22.344 31.650 1.00 0.00 C ATOM 955 O ALA B 8 94.327 -22.686 32.812 1.00 0.00 O ATOM 956 CB ALA B 8 95.526 -20.379 30.810 1.00 0.00 C ATOM 0 H ALA B 8 95.417 -21.721 28.727 1.00 0.00 H new ATOM 0 HA ALA B 8 96.362 -22.302 31.329 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.596 -19.990 31.826 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.400 -20.065 30.240 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.625 -19.992 30.335 1.00 0.00 H new ATOM 962 N GLN B 9 93.085 -22.336 31.036 1.00 0.00 N ATOM 963 CA GLN B 9 91.848 -22.747 31.758 1.00 0.00 C ATOM 964 C GLN B 9 91.978 -24.191 32.249 1.00 0.00 C ATOM 965 O GLN B 9 91.548 -24.527 33.334 1.00 0.00 O ATOM 966 CB GLN B 9 90.648 -22.636 30.815 1.00 0.00 C ATOM 967 CG GLN B 9 90.337 -21.162 30.552 1.00 0.00 C ATOM 968 CD GLN B 9 89.262 -21.050 29.470 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.202 -21.865 28.570 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.404 -20.069 29.519 1.00 0.00 N ATOM 0 H GLN B 9 92.948 -22.062 30.063 1.00 0.00 H new ATOM 0 HA GLN B 9 91.704 -22.092 32.617 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.862 -23.146 29.876 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.781 -23.128 31.254 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.995 -20.683 31.469 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.240 -20.640 30.237 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.454 -19.385 30.274 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.683 -19.986 28.802 1.00 0.00 H new ATOM 979 N GLU B 10 92.547 -25.054 31.457 1.00 0.00 N ATOM 980 CA GLU B 10 92.677 -26.478 31.880 1.00 0.00 C ATOM 981 C GLU B 10 93.503 -26.583 33.170 1.00 0.00 C ATOM 982 O GLU B 10 93.198 -27.373 34.043 1.00 0.00 O ATOM 983 CB GLU B 10 93.364 -27.276 30.765 1.00 0.00 C ATOM 984 CG GLU B 10 93.411 -28.766 31.129 1.00 0.00 C ATOM 985 CD GLU B 10 91.989 -29.318 31.248 1.00 0.00 C ATOM 986 OE1 GLU B 10 91.094 -28.723 30.667 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.818 -30.326 31.912 1.00 0.00 O ATOM 0 H GLU B 10 92.928 -24.837 30.536 1.00 0.00 H new ATOM 0 HA GLU B 10 91.683 -26.883 32.069 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.826 -27.141 29.827 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.375 -26.900 30.610 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.962 -29.318 30.368 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.944 -28.903 32.070 1.00 0.00 H new ATOM 994 N GLU B 11 94.552 -25.809 33.296 1.00 0.00 N ATOM 995 CA GLU B 11 95.410 -25.881 34.527 1.00 0.00 C ATOM 996 C GLU B 11 95.069 -24.748 35.503 1.00 0.00 C ATOM 997 O GLU B 11 95.788 -24.511 36.453 1.00 0.00 O ATOM 998 CB GLU B 11 96.887 -25.776 34.126 1.00 0.00 C ATOM 999 CG GLU B 11 97.330 -27.062 33.413 1.00 0.00 C ATOM 1000 CD GLU B 11 96.786 -27.082 31.984 1.00 0.00 C ATOM 1001 OE1 GLU B 11 96.364 -26.040 31.515 1.00 0.00 O ATOM 1002 OE2 GLU B 11 96.811 -28.142 31.380 1.00 0.00 O ATOM 0 H GLU B 11 94.855 -25.128 32.600 1.00 0.00 H new ATOM 0 HA GLU B 11 95.221 -26.834 35.022 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.034 -24.918 33.470 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.502 -25.611 35.011 1.00 0.00 H new ATOM 0 HG2 GLU B 11 98.418 -27.123 33.397 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.970 -27.933 33.960 1.00 0.00 H new ATOM 1009 N CYS B 12 93.987 -24.050 35.292 1.00 0.00 N ATOM 1010 CA CYS B 12 93.628 -22.943 36.231 1.00 0.00 C ATOM 1011 C CYS B 12 93.709 -23.443 37.676 1.00 0.00 C ATOM 1012 O CYS B 12 94.165 -22.747 38.560 1.00 0.00 O ATOM 1013 CB CYS B 12 92.199 -22.472 35.948 1.00 0.00 C ATOM 1014 SG CYS B 12 91.823 -21.032 36.981 1.00 0.00 S ATOM 0 H CYS B 12 93.339 -24.194 34.518 1.00 0.00 H new ATOM 0 HA CYS B 12 94.325 -22.117 36.089 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.091 -22.215 34.894 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.492 -23.276 36.154 1.00 0.00 H new ATOM 0 HG CYS B 12 90.610 -20.630 36.740 1.00 0.00 H new ATOM 1019 N GLU B 13 93.262 -24.645 37.921 1.00 0.00 N ATOM 1020 CA GLU B 13 93.305 -25.194 39.306 1.00 0.00 C ATOM 1021 C GLU B 13 94.750 -25.242 39.805 1.00 0.00 C ATOM 1022 O GLU B 13 95.030 -24.973 40.956 1.00 0.00 O ATOM 1023 CB GLU B 13 92.714 -26.609 39.316 1.00 0.00 C ATOM 1024 CG GLU B 13 92.700 -27.156 40.748 1.00 0.00 C ATOM 1025 CD GLU B 13 92.109 -28.566 40.752 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.629 -28.988 39.713 1.00 0.00 O ATOM 1027 OE2 GLU B 13 92.150 -29.202 41.792 1.00 0.00 O ATOM 0 H GLU B 13 92.868 -25.272 37.219 1.00 0.00 H new ATOM 0 HA GLU B 13 92.721 -24.549 39.963 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.701 -26.593 38.913 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.302 -27.263 38.673 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.713 -27.174 41.151 1.00 0.00 H new ATOM 0 HG3 GLU B 13 92.112 -26.502 41.392 1.00 0.00 H new ATOM 1034 N LYS B 14 95.669 -25.607 38.954 1.00 0.00 N ATOM 1035 CA LYS B 14 97.089 -25.702 39.391 1.00 0.00 C ATOM 1036 C LYS B 14 97.590 -24.326 39.850 1.00 0.00 C ATOM 1037 O LYS B 14 98.373 -24.225 40.774 1.00 0.00 O ATOM 1038 CB LYS B 14 97.950 -26.215 38.234 1.00 0.00 C ATOM 1039 CG LYS B 14 97.616 -27.687 37.972 1.00 0.00 C ATOM 1040 CD LYS B 14 98.473 -28.209 36.816 1.00 0.00 C ATOM 1041 CE LYS B 14 98.137 -29.678 36.549 1.00 0.00 C ATOM 1042 NZ LYS B 14 98.319 -30.470 37.797 1.00 0.00 N ATOM 0 H LYS B 14 95.498 -25.843 37.977 1.00 0.00 H new ATOM 0 HA LYS B 14 97.161 -26.398 40.226 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.766 -25.623 37.338 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.007 -26.107 38.476 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.799 -28.278 38.870 1.00 0.00 H new ATOM 0 HG3 LYS B 14 96.558 -27.793 37.731 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.292 -27.616 35.920 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.531 -28.106 37.059 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.109 -29.768 36.197 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.780 -30.071 35.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.443 -31.474 37.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.160 -30.129 38.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.481 -30.360 38.403 1.00 0.00 H new ATOM 1056 N TYR B 15 97.150 -23.264 39.226 1.00 0.00 N ATOM 1057 CA TYR B 15 97.616 -21.908 39.657 1.00 0.00 C ATOM 1058 C TYR B 15 96.716 -21.401 40.788 1.00 0.00 C ATOM 1059 O TYR B 15 97.060 -20.481 41.501 1.00 0.00 O ATOM 1060 CB TYR B 15 97.551 -20.939 38.475 1.00 0.00 C ATOM 1061 CG TYR B 15 98.459 -21.436 37.375 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.826 -21.131 37.403 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.938 -22.212 36.334 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.669 -21.600 36.390 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.781 -22.684 35.322 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.147 -22.378 35.348 1.00 0.00 C ATOM 1067 OH TYR B 15 100.979 -22.845 34.351 1.00 0.00 O ATOM 0 H TYR B 15 96.495 -23.274 38.444 1.00 0.00 H new ATOM 0 HA TYR B 15 98.645 -21.972 40.009 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.527 -20.860 38.110 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.855 -19.941 38.790 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.229 -20.533 38.207 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.884 -22.447 36.312 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.722 -21.362 36.411 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.378 -23.285 34.520 1.00 0.00 H new ATOM 0 HH TYR B 15 101.761 -22.259 34.276 1.00 0.00 H new ATOM 1077 N HIS B 16 95.573 -22.009 40.963 1.00 0.00 N ATOM 1078 CA HIS B 16 94.648 -21.585 42.056 1.00 0.00 C ATOM 1079 C HIS B 16 94.272 -20.109 41.893 1.00 0.00 C ATOM 1080 O HIS B 16 94.002 -19.639 40.806 1.00 0.00 O ATOM 1081 CB HIS B 16 95.322 -21.792 43.417 1.00 0.00 C ATOM 1082 CG HIS B 16 95.900 -23.178 43.490 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.101 -24.311 43.567 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.196 -23.631 43.503 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.918 -25.379 43.623 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.202 -25.018 43.588 1.00 0.00 N ATOM 0 H HIS B 16 95.238 -22.786 40.393 1.00 0.00 H new ATOM 0 HA HIS B 16 93.743 -22.190 42.001 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.109 -21.051 43.561 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.598 -21.647 44.218 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.075 -23.006 43.455 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.577 -26.402 43.688 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.017 -25.631 43.617 1.00 0.00 H new ATOM 1095 N SER B 17 94.241 -19.384 42.979 1.00 0.00 N ATOM 1096 CA SER B 17 93.872 -17.941 42.919 1.00 0.00 C ATOM 1097 C SER B 17 95.086 -17.099 42.527 1.00 0.00 C ATOM 1098 O SER B 17 94.983 -15.908 42.312 1.00 0.00 O ATOM 1099 CB SER B 17 93.382 -17.493 44.291 1.00 0.00 C ATOM 1100 OG SER B 17 94.378 -17.784 45.263 1.00 0.00 O ATOM 0 H SER B 17 94.457 -19.733 43.913 1.00 0.00 H new ATOM 0 HA SER B 17 93.088 -17.807 42.174 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.167 -16.424 44.282 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.452 -18.003 44.542 1.00 0.00 H new ATOM 0 HG SER B 17 94.067 -17.496 46.146 1.00 0.00 H new ATOM 1106 N ASN B 18 96.236 -17.700 42.442 1.00 0.00 N ATOM 1107 CA ASN B 18 97.450 -16.917 42.073 1.00 0.00 C ATOM 1108 C ASN B 18 97.464 -16.665 40.566 1.00 0.00 C ATOM 1109 O ASN B 18 98.147 -17.337 39.818 1.00 0.00 O ATOM 1110 CB ASN B 18 98.711 -17.693 42.463 1.00 0.00 C ATOM 1111 CG ASN B 18 98.846 -17.726 43.984 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.262 -16.916 44.676 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.617 -18.621 44.537 1.00 0.00 N ATOM 0 H ASN B 18 96.391 -18.694 42.610 1.00 0.00 H new ATOM 0 HA ASN B 18 97.430 -15.965 42.604 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.660 -18.709 42.071 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.590 -17.224 42.020 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.730 -18.641 45.551 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.107 -19.301 43.956 1.00 0.00 H new ATOM 1120 N TRP B 19 96.724 -15.691 40.117 1.00 0.00 N ATOM 1121 CA TRP B 19 96.703 -15.381 38.663 1.00 0.00 C ATOM 1122 C TRP B 19 98.052 -14.780 38.262 1.00 0.00 C ATOM 1123 O TRP B 19 98.436 -14.799 37.110 1.00 0.00 O ATOM 1124 CB TRP B 19 95.589 -14.374 38.373 1.00 0.00 C ATOM 1125 CG TRP B 19 95.834 -13.138 39.173 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.296 -12.881 40.387 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.679 -11.996 38.849 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.751 -11.650 40.825 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.608 -11.068 39.913 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.492 -11.678 37.744 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.317 -9.867 39.883 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.208 -10.470 37.713 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.121 -9.568 38.781 1.00 0.00 C ATOM 0 H TRP B 19 96.132 -15.096 40.696 1.00 0.00 H new ATOM 0 HA TRP B 19 96.522 -16.293 38.094 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.564 -14.136 37.310 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.619 -14.801 38.627 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.622 -13.530 40.926 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.486 -11.225 41.713 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.565 -12.367 36.916 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.245 -9.173 40.707 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.829 -10.235 36.861 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.675 -8.642 38.752 1.00 0.00 H new ATOM 1144 N ARG B 20 98.775 -14.243 39.209 1.00 0.00 N ATOM 1145 CA ARG B 20 100.099 -13.638 38.890 1.00 0.00 C ATOM 1146 C ARG B 20 101.012 -14.708 38.297 1.00 0.00 C ATOM 1147 O ARG B 20 101.751 -14.465 37.362 1.00 0.00 O ATOM 1148 CB ARG B 20 100.724 -13.096 40.176 1.00 0.00 C ATOM 1149 CG ARG B 20 99.939 -11.871 40.645 1.00 0.00 C ATOM 1150 CD ARG B 20 100.542 -11.339 41.946 1.00 0.00 C ATOM 1151 NE ARG B 20 99.716 -10.205 42.447 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.831 -9.805 43.684 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.669 -10.400 44.488 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.105 -8.812 44.117 1.00 0.00 N ATOM 0 H ARG B 20 98.504 -14.198 40.191 1.00 0.00 H new ATOM 0 HA ARG B 20 99.972 -12.828 38.172 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.716 -13.864 40.949 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.766 -12.829 40.002 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.963 -11.096 39.878 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.893 -12.135 40.799 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.581 -12.132 42.693 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.567 -11.010 41.777 1.00 0.00 H new ATOM 0 HE ARG B 20 99.058 -9.740 41.821 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.235 -11.178 44.150 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.758 -10.087 45.455 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.448 -8.349 43.489 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.194 -8.499 45.084 1.00 0.00 H new ATOM 1168 N ALA B 21 100.961 -15.893 38.833 1.00 0.00 N ATOM 1169 CA ALA B 21 101.819 -16.986 38.304 1.00 0.00 C ATOM 1170 C ALA B 21 101.377 -17.318 36.878 1.00 0.00 C ATOM 1171 O ALA B 21 102.185 -17.570 36.007 1.00 0.00 O ATOM 1172 CB ALA B 21 101.675 -18.226 39.193 1.00 0.00 C ATOM 0 H ALA B 21 100.361 -16.152 39.616 1.00 0.00 H new ATOM 0 HA ALA B 21 102.862 -16.670 38.300 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.304 -19.027 38.805 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.983 -17.983 40.210 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.635 -18.552 39.198 1.00 0.00 H new ATOM 1178 N MET B 22 100.094 -17.321 36.635 1.00 0.00 N ATOM 1179 CA MET B 22 99.594 -17.636 35.267 1.00 0.00 C ATOM 1180 C MET B 22 100.158 -16.615 34.274 1.00 0.00 C ATOM 1181 O MET B 22 100.644 -16.965 33.217 1.00 0.00 O ATOM 1182 CB MET B 22 98.066 -17.556 35.256 1.00 0.00 C ATOM 1183 CG MET B 22 97.527 -18.180 33.967 1.00 0.00 C ATOM 1184 SD MET B 22 95.807 -17.669 33.719 1.00 0.00 S ATOM 1185 CE MET B 22 95.161 -18.220 35.316 1.00 0.00 C ATOM 0 H MET B 22 99.371 -17.119 37.325 1.00 0.00 H new ATOM 0 HA MET B 22 99.912 -18.639 34.984 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.659 -18.077 36.122 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.746 -16.517 35.330 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.136 -17.869 33.118 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.590 -19.267 34.023 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.081 -18.349 35.247 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.623 -19.169 35.587 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.390 -17.475 36.078 1.00 0.00 H new ATOM 1195 N ALA B 23 100.096 -15.354 34.606 1.00 0.00 N ATOM 1196 CA ALA B 23 100.624 -14.308 33.684 1.00 0.00 C ATOM 1197 C ALA B 23 102.116 -14.545 33.433 1.00 0.00 C ATOM 1198 O ALA B 23 102.603 -14.387 32.331 1.00 0.00 O ATOM 1199 CB ALA B 23 100.427 -12.933 34.326 1.00 0.00 C ATOM 0 H ALA B 23 99.701 -15.002 35.478 1.00 0.00 H new ATOM 0 HA ALA B 23 100.090 -14.354 32.735 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.810 -12.161 33.658 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.365 -12.764 34.504 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.965 -12.893 35.273 1.00 0.00 H new ATOM 1205 N SER B 24 102.846 -14.918 34.447 1.00 0.00 N ATOM 1206 CA SER B 24 104.307 -15.158 34.271 1.00 0.00 C ATOM 1207 C SER B 24 104.528 -16.383 33.381 1.00 0.00 C ATOM 1208 O SER B 24 105.466 -16.441 32.612 1.00 0.00 O ATOM 1209 CB SER B 24 104.955 -15.395 35.636 1.00 0.00 C ATOM 1210 OG SER B 24 106.334 -15.696 35.455 1.00 0.00 O ATOM 0 H SER B 24 102.494 -15.068 35.392 1.00 0.00 H new ATOM 0 HA SER B 24 104.759 -14.285 33.800 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.843 -14.511 36.263 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.456 -16.216 36.151 1.00 0.00 H new ATOM 0 HG SER B 24 106.753 -15.847 36.328 1.00 0.00 H new ATOM 1216 N ASP B 25 103.680 -17.365 33.486 1.00 0.00 N ATOM 1217 CA ASP B 25 103.852 -18.588 32.655 1.00 0.00 C ATOM 1218 C ASP B 25 103.554 -18.263 31.193 1.00 0.00 C ATOM 1219 O ASP B 25 104.271 -18.661 30.296 1.00 0.00 O ATOM 1220 CB ASP B 25 102.872 -19.656 33.133 1.00 0.00 C ATOM 1221 CG ASP B 25 103.214 -20.995 32.480 1.00 0.00 C ATOM 1222 OD1 ASP B 25 103.998 -20.991 31.544 1.00 0.00 O ATOM 1223 OD2 ASP B 25 102.687 -22.001 32.925 1.00 0.00 O ATOM 0 H ASP B 25 102.874 -17.374 34.112 1.00 0.00 H new ATOM 0 HA ASP B 25 104.877 -18.948 32.747 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.918 -19.747 34.218 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.852 -19.367 32.881 1.00 0.00 H new ATOM 1228 N PHE B 26 102.492 -17.547 30.949 1.00 0.00 N ATOM 1229 CA PHE B 26 102.123 -17.190 29.542 1.00 0.00 C ATOM 1230 C PHE B 26 102.651 -15.793 29.203 1.00 0.00 C ATOM 1231 O PHE B 26 102.482 -15.303 28.105 1.00 0.00 O ATOM 1232 CB PHE B 26 100.599 -17.221 29.408 1.00 0.00 C ATOM 1233 CG PHE B 26 100.131 -18.655 29.502 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.829 -19.214 30.752 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.000 -19.427 28.341 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.401 -20.545 30.838 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.570 -20.757 28.429 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.271 -21.316 29.677 1.00 0.00 C ATOM 0 H PHE B 26 101.858 -17.190 31.664 1.00 0.00 H new ATOM 0 HA PHE B 26 102.567 -17.907 28.851 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.139 -16.622 30.193 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.295 -16.786 28.456 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.926 -18.619 31.648 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.231 -18.997 27.378 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.171 -20.977 31.801 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.469 -21.352 27.533 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.940 -22.342 29.744 1.00 0.00 H new ATOM 1248 N ASN B 27 103.307 -15.159 30.135 1.00 0.00 N ATOM 1249 CA ASN B 27 103.871 -13.803 29.874 1.00 0.00 C ATOM 1250 C ASN B 27 102.784 -12.862 29.341 1.00 0.00 C ATOM 1251 O ASN B 27 103.001 -12.124 28.400 1.00 0.00 O ATOM 1252 CB ASN B 27 105.004 -13.916 28.852 1.00 0.00 C ATOM 1253 CG ASN B 27 106.122 -14.781 29.434 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.131 -15.041 30.715 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.995 -15.230 28.718 1.00 0.00 N flip ATOM 0 H ASN B 27 103.478 -15.523 31.072 1.00 0.00 H new ATOM 0 HA ASN B 27 104.256 -13.393 30.808 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.632 -14.356 27.926 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.386 -12.926 28.604 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.989 -15.028 27.718 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.734 -15.809 29.117 1.00 0.00 H new ATOM 1262 N LEU B 28 101.621 -12.873 29.950 1.00 0.00 N ATOM 1263 CA LEU B 28 100.506 -11.970 29.504 1.00 0.00 C ATOM 1264 C LEU B 28 100.224 -10.956 30.619 1.00 0.00 C ATOM 1265 O LEU B 28 100.424 -11.246 31.780 1.00 0.00 O ATOM 1266 CB LEU B 28 99.240 -12.804 29.271 1.00 0.00 C ATOM 1267 CG LEU B 28 99.372 -13.640 27.985 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.384 -14.812 28.033 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.056 -12.776 26.751 1.00 0.00 C ATOM 0 H LEU B 28 101.393 -13.473 30.743 1.00 0.00 H new ATOM 0 HA LEU B 28 100.788 -11.460 28.583 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.069 -13.462 30.123 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.373 -12.147 29.197 1.00 0.00 H new ATOM 0 HG LEU B 28 100.394 -14.012 27.914 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.477 -15.404 27.123 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.604 -15.438 28.897 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.367 -14.428 28.113 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.153 -13.380 25.849 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.037 -12.395 26.825 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.753 -11.940 26.704 1.00 0.00 H new ATOM 1281 N PRO B 29 99.757 -9.777 30.282 1.00 0.00 N ATOM 1282 CA PRO B 29 99.447 -8.732 31.301 1.00 0.00 C ATOM 1283 C PRO B 29 98.199 -9.102 32.131 1.00 0.00 C ATOM 1284 O PRO B 29 97.333 -9.810 31.660 1.00 0.00 O ATOM 1285 CB PRO B 29 99.200 -7.469 30.461 1.00 0.00 C ATOM 1286 CG PRO B 29 98.742 -7.978 29.133 1.00 0.00 C ATOM 1287 CD PRO B 29 99.472 -9.305 28.913 1.00 0.00 C ATOM 0 HA PRO B 29 100.248 -8.608 32.029 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.447 -6.829 30.921 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.108 -6.874 30.365 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.661 -8.121 29.122 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.978 -7.267 28.341 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.854 -10.016 28.365 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.388 -9.168 28.338 1.00 0.00 H new ATOM 1295 N PRO B 30 98.102 -8.628 33.351 1.00 0.00 N ATOM 1296 CA PRO B 30 96.935 -8.926 34.233 1.00 0.00 C ATOM 1297 C PRO B 30 95.591 -8.894 33.481 1.00 0.00 C ATOM 1298 O PRO B 30 94.604 -9.429 33.943 1.00 0.00 O ATOM 1299 CB PRO B 30 96.987 -7.805 35.283 1.00 0.00 C ATOM 1300 CG PRO B 30 98.432 -7.411 35.378 1.00 0.00 C ATOM 1301 CD PRO B 30 99.088 -7.763 34.030 1.00 0.00 C ATOM 0 HA PRO B 30 96.995 -9.931 34.652 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.368 -6.959 34.984 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.611 -8.151 36.246 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.528 -6.345 35.586 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.923 -7.940 36.195 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.299 -6.867 33.446 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.037 -8.280 34.174 1.00 0.00 H new ATOM 1309 N VAL B 31 95.539 -8.249 32.345 1.00 0.00 N ATOM 1310 CA VAL B 31 94.248 -8.170 31.595 1.00 0.00 C ATOM 1311 C VAL B 31 93.753 -9.574 31.234 1.00 0.00 C ATOM 1312 O VAL B 31 92.605 -9.910 31.446 1.00 0.00 O ATOM 1313 CB VAL B 31 94.456 -7.369 30.302 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.217 -7.484 29.400 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.696 -5.898 30.647 1.00 0.00 C ATOM 0 H VAL B 31 96.328 -7.776 31.905 1.00 0.00 H new ATOM 0 HA VAL B 31 93.507 -7.679 32.227 1.00 0.00 H new ATOM 0 HB VAL B 31 95.320 -7.771 29.773 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.378 -6.911 28.487 1.00 0.00 H new ATOM 0 HG12 VAL B 31 93.047 -8.531 29.147 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.347 -7.092 29.926 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.844 -5.329 29.729 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.832 -5.504 31.183 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.583 -5.812 31.275 1.00 0.00 H new ATOM 1325 N VAL B 32 94.599 -10.384 30.662 1.00 0.00 N ATOM 1326 CA VAL B 32 94.159 -11.747 30.254 1.00 0.00 C ATOM 1327 C VAL B 32 94.079 -12.681 31.465 1.00 0.00 C ATOM 1328 O VAL B 32 93.144 -13.441 31.603 1.00 0.00 O ATOM 1329 CB VAL B 32 95.142 -12.314 29.230 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.665 -13.696 28.759 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.231 -11.357 28.036 1.00 0.00 C ATOM 0 H VAL B 32 95.574 -10.162 30.460 1.00 0.00 H new ATOM 0 HA VAL B 32 93.166 -11.673 29.811 1.00 0.00 H new ATOM 0 HB VAL B 32 96.126 -12.419 29.687 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.370 -14.095 28.029 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.606 -14.371 29.613 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.681 -13.604 28.300 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.931 -11.756 27.302 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.247 -11.252 27.580 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.579 -10.382 28.377 1.00 0.00 H new ATOM 1341 N ALA B 33 95.047 -12.645 32.338 1.00 0.00 N ATOM 1342 CA ALA B 33 94.997 -13.556 33.517 1.00 0.00 C ATOM 1343 C ALA B 33 93.738 -13.260 34.329 1.00 0.00 C ATOM 1344 O ALA B 33 92.995 -14.151 34.691 1.00 0.00 O ATOM 1345 CB ALA B 33 96.239 -13.346 34.387 1.00 0.00 C ATOM 0 H ALA B 33 95.861 -12.033 32.289 1.00 0.00 H new ATOM 0 HA ALA B 33 94.975 -14.591 33.177 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.198 -14.014 35.247 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.133 -13.562 33.803 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.271 -12.312 34.731 1.00 0.00 H new ATOM 1351 N LYS B 34 93.486 -12.016 34.607 1.00 0.00 N ATOM 1352 CA LYS B 34 92.269 -11.661 35.385 1.00 0.00 C ATOM 1353 C LYS B 34 91.031 -12.131 34.622 1.00 0.00 C ATOM 1354 O LYS B 34 90.077 -12.616 35.198 1.00 0.00 O ATOM 1355 CB LYS B 34 92.204 -10.141 35.564 1.00 0.00 C ATOM 1356 CG LYS B 34 93.307 -9.667 36.522 1.00 0.00 C ATOM 1357 CD LYS B 34 92.906 -9.925 37.981 1.00 0.00 C ATOM 1358 CE LYS B 34 93.887 -9.207 38.908 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.576 -9.562 40.319 1.00 0.00 N ATOM 0 H LYS B 34 94.070 -11.227 34.329 1.00 0.00 H new ATOM 0 HA LYS B 34 92.306 -12.142 36.362 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.317 -9.650 34.598 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.227 -9.856 35.954 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.238 -10.187 36.298 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.492 -8.603 36.373 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.891 -9.569 38.160 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.909 -10.995 38.188 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.911 -9.493 38.666 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.816 -8.128 38.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.642 -8.711 40.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.613 -9.950 40.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.256 -10.273 40.656 1.00 0.00 H new ATOM 1373 N GLU B 35 91.038 -11.975 33.328 1.00 0.00 N ATOM 1374 CA GLU B 35 89.863 -12.394 32.515 1.00 0.00 C ATOM 1375 C GLU B 35 89.627 -13.900 32.656 1.00 0.00 C ATOM 1376 O GLU B 35 88.502 -14.350 32.750 1.00 0.00 O ATOM 1377 CB GLU B 35 90.132 -12.062 31.045 1.00 0.00 C ATOM 1378 CG GLU B 35 88.886 -12.361 30.204 1.00 0.00 C ATOM 1379 CD GLU B 35 88.779 -13.865 29.923 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.785 -14.547 30.033 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.689 -14.309 29.600 1.00 0.00 O ATOM 0 H GLU B 35 91.810 -11.574 32.796 1.00 0.00 H new ATOM 0 HA GLU B 35 88.978 -11.864 32.867 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.405 -11.012 30.945 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.976 -12.647 30.680 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.994 -12.018 30.729 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.933 -11.811 29.264 1.00 0.00 H new ATOM 1388 N ILE B 36 90.669 -14.684 32.673 1.00 0.00 N ATOM 1389 CA ILE B 36 90.476 -16.155 32.808 1.00 0.00 C ATOM 1390 C ILE B 36 89.821 -16.440 34.161 1.00 0.00 C ATOM 1391 O ILE B 36 88.928 -17.256 34.270 1.00 0.00 O ATOM 1392 CB ILE B 36 91.832 -16.859 32.708 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.416 -16.629 31.309 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.645 -18.360 32.934 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.873 -17.099 31.273 1.00 0.00 C ATOM 0 H ILE B 36 91.638 -14.374 32.600 1.00 0.00 H new ATOM 0 HA ILE B 36 89.833 -16.529 32.011 1.00 0.00 H new ATOM 0 HB ILE B 36 92.509 -16.458 33.463 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.831 -17.171 30.567 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.359 -15.572 31.050 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.610 -18.862 32.863 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.220 -18.529 33.924 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.971 -18.761 32.177 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.284 -16.934 30.277 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.455 -16.537 32.004 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.919 -18.161 31.513 1.00 0.00 H new ATOM 1407 N VAL B 37 90.233 -15.746 35.185 1.00 0.00 N ATOM 1408 CA VAL B 37 89.608 -15.947 36.523 1.00 0.00 C ATOM 1409 C VAL B 37 88.152 -15.485 36.433 1.00 0.00 C ATOM 1410 O VAL B 37 87.256 -16.095 36.980 1.00 0.00 O ATOM 1411 CB VAL B 37 90.359 -15.121 37.571 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.582 -15.125 38.892 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.745 -15.733 37.786 1.00 0.00 C ATOM 0 H VAL B 37 90.976 -15.048 35.154 1.00 0.00 H new ATOM 0 HA VAL B 37 89.653 -16.996 36.815 1.00 0.00 H new ATOM 0 HB VAL B 37 90.459 -14.093 37.224 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.122 -14.536 39.633 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.594 -14.693 38.734 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.477 -16.149 39.249 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.288 -15.151 38.531 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.639 -16.760 38.134 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.297 -15.724 36.846 1.00 0.00 H new ATOM 1423 N ALA B 38 87.921 -14.403 35.740 1.00 0.00 N ATOM 1424 CA ALA B 38 86.534 -13.880 35.595 1.00 0.00 C ATOM 1425 C ALA B 38 85.639 -14.960 34.979 1.00 0.00 C ATOM 1426 O ALA B 38 84.428 -14.876 35.034 1.00 0.00 O ATOM 1427 CB ALA B 38 86.547 -12.648 34.686 1.00 0.00 C ATOM 0 H ALA B 38 88.639 -13.856 35.265 1.00 0.00 H new ATOM 0 HA ALA B 38 86.146 -13.605 36.576 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.532 -12.264 34.579 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.182 -11.878 35.125 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.936 -12.923 33.706 1.00 0.00 H new ATOM 1433 N SER B 39 86.219 -15.979 34.396 1.00 0.00 N ATOM 1434 CA SER B 39 85.389 -17.061 33.784 1.00 0.00 C ATOM 1435 C SER B 39 85.205 -18.180 34.805 1.00 0.00 C ATOM 1436 O SER B 39 84.112 -18.662 35.026 1.00 0.00 O ATOM 1437 CB SER B 39 86.100 -17.619 32.549 1.00 0.00 C ATOM 1438 OG SER B 39 86.313 -16.570 31.615 1.00 0.00 O ATOM 0 H SER B 39 87.228 -16.108 34.317 1.00 0.00 H new ATOM 0 HA SER B 39 84.420 -16.658 33.491 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.052 -18.066 32.835 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.500 -18.409 32.096 1.00 0.00 H new ATOM 0 HG SER B 39 86.997 -15.959 31.960 1.00 0.00 H new ATOM 1444 N CYS B 40 86.265 -18.588 35.442 1.00 0.00 N ATOM 1445 CA CYS B 40 86.145 -19.663 36.461 1.00 0.00 C ATOM 1446 C CYS B 40 85.166 -19.207 37.547 1.00 0.00 C ATOM 1447 O CYS B 40 85.314 -18.146 38.122 1.00 0.00 O ATOM 1448 CB CYS B 40 87.524 -19.933 37.074 1.00 0.00 C ATOM 1449 SG CYS B 40 87.563 -21.600 37.777 1.00 0.00 S ATOM 0 H CYS B 40 87.207 -18.224 35.301 1.00 0.00 H new ATOM 0 HA CYS B 40 85.775 -20.580 36.002 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.297 -19.831 36.313 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.739 -19.196 37.848 1.00 0.00 H new ATOM 0 HG CYS B 40 88.734 -21.826 38.294 1.00 0.00 H new ATOM 1454 N ASP B 41 84.163 -19.990 37.827 1.00 0.00 N ATOM 1455 CA ASP B 41 83.176 -19.586 38.868 1.00 0.00 C ATOM 1456 C ASP B 41 83.754 -19.857 40.259 1.00 0.00 C ATOM 1457 O ASP B 41 83.330 -19.281 41.242 1.00 0.00 O ATOM 1458 CB ASP B 41 81.892 -20.399 38.686 1.00 0.00 C ATOM 1459 CG ASP B 41 81.218 -20.002 37.373 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.456 -18.896 36.917 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.475 -20.812 36.844 1.00 0.00 O ATOM 0 H ASP B 41 83.983 -20.890 37.382 1.00 0.00 H new ATOM 0 HA ASP B 41 82.958 -18.523 38.769 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.121 -21.465 38.681 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.216 -20.222 39.522 1.00 0.00 H new ATOM 1466 N LYS B 42 84.710 -20.738 40.352 1.00 0.00 N ATOM 1467 CA LYS B 42 85.303 -21.055 41.681 1.00 0.00 C ATOM 1468 C LYS B 42 86.263 -19.945 42.116 1.00 0.00 C ATOM 1469 O LYS B 42 86.227 -19.486 43.241 1.00 0.00 O ATOM 1470 CB LYS B 42 86.066 -22.376 41.579 1.00 0.00 C ATOM 1471 CG LYS B 42 85.087 -23.488 41.205 1.00 0.00 C ATOM 1472 CD LYS B 42 85.831 -24.819 41.096 1.00 0.00 C ATOM 1473 CE LYS B 42 84.839 -25.921 40.722 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.873 -26.109 41.841 1.00 0.00 N ATOM 0 H LYS B 42 85.107 -21.252 39.565 1.00 0.00 H new ATOM 0 HA LYS B 42 84.506 -21.136 42.420 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.853 -22.299 40.829 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.551 -22.605 42.528 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.301 -23.561 41.957 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.601 -23.254 40.258 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.616 -24.750 40.343 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.317 -25.056 42.043 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.308 -25.655 39.808 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.369 -26.852 40.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.438 -27.051 41.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.373 -26.026 42.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.132 -25.381 41.786 1.00 0.00 H new ATOM 1488 N CYS B 43 87.128 -19.515 41.238 1.00 0.00 N ATOM 1489 CA CYS B 43 88.095 -18.442 41.609 1.00 0.00 C ATOM 1490 C CYS B 43 87.411 -17.072 41.561 1.00 0.00 C ATOM 1491 O CYS B 43 87.773 -16.164 42.283 1.00 0.00 O ATOM 1492 CB CYS B 43 89.277 -18.463 40.639 1.00 0.00 C ATOM 1493 SG CYS B 43 90.172 -20.027 40.814 1.00 0.00 S ATOM 0 H CYS B 43 87.207 -19.860 40.281 1.00 0.00 H new ATOM 0 HA CYS B 43 88.452 -18.621 42.623 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.923 -18.347 39.615 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.944 -17.625 40.843 1.00 0.00 H new ATOM 0 HG CYS B 43 91.176 -20.047 39.988 1.00 0.00 H new ATOM 1498 N GLN B 44 86.435 -16.906 40.711 1.00 0.00 N ATOM 1499 CA GLN B 44 85.750 -15.583 40.621 1.00 0.00 C ATOM 1500 C GLN B 44 84.907 -15.332 41.873 1.00 0.00 C ATOM 1501 O GLN B 44 85.105 -14.366 42.582 1.00 0.00 O ATOM 1502 CB GLN B 44 84.846 -15.549 39.386 1.00 0.00 C ATOM 1503 CG GLN B 44 84.223 -14.157 39.258 1.00 0.00 C ATOM 1504 CD GLN B 44 83.407 -14.070 37.967 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.881 -15.060 37.498 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.278 -12.917 37.368 1.00 0.00 N ATOM 0 H GLN B 44 86.083 -17.624 40.078 1.00 0.00 H new ATOM 0 HA GLN B 44 86.509 -14.805 40.541 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.422 -15.786 38.492 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.065 -16.304 39.471 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.584 -13.955 40.117 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.005 -13.398 39.256 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.719 -12.086 37.761 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.736 -12.848 36.507 1.00 0.00 H new ATOM 1515 N LEU B 45 83.955 -16.183 42.141 1.00 0.00 N ATOM 1516 CA LEU B 45 83.084 -15.983 43.337 1.00 0.00 C ATOM 1517 C LEU B 45 83.747 -16.605 44.568 1.00 0.00 C ATOM 1518 O LEU B 45 84.095 -17.768 44.578 1.00 0.00 O ATOM 1519 CB LEU B 45 81.730 -16.655 43.090 1.00 0.00 C ATOM 1520 CG LEU B 45 81.081 -16.065 41.830 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.825 -16.869 41.482 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.701 -14.593 42.063 1.00 0.00 C ATOM 0 H LEU B 45 83.741 -17.010 41.583 1.00 0.00 H new ATOM 0 HA LEU B 45 82.940 -14.916 43.509 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.863 -17.730 42.973 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.077 -16.507 43.950 1.00 0.00 H new ATOM 0 HG LEU B 45 81.793 -16.118 41.007 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.362 -16.452 40.588 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.098 -17.908 41.299 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.120 -16.820 42.312 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.242 -14.189 41.161 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.995 -14.526 42.891 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.596 -14.020 42.303 1.00 0.00 H new