USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=27 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 HE2:sc= -3.4! C(o=-6.1!,f=-13!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -1.57 K(o=-6.1,f=-7.3!) USER MOD Set 1.3: B 40 CYS SG : rot 160:sc= 1.05 USER MOD Set 1.4: B 43 CYS SG : rot 79:sc= -2.23! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.76! C(o=-6.7!,f=-13!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -1.46 K(o=-6.7,f=-8.1!) USER MOD Set 2.3: A 40 CYS SG : rot 160:sc= 1.09 USER MOD Set 2.4: A 43 CYS SG : rot 76:sc= -2.56! USER MOD Single : A 1 PHE N :NH3+ 170:sc= 0.752 (180deg=0.458) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.108 (180deg=-0.749) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -0.0135 (180deg=-0.279) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -58:sc= 0.725 USER MOD Single : A 18 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 22 MET CE :methyl 160:sc= -0.238 (180deg=-1.6) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 73:sc= 0.287 USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0141 (180deg=-0.369) USER MOD Single : A 44 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.4) USER MOD Single : B 1 PHE N :NH3+ 167:sc= 0.794 (180deg=0.473) USER MOD Single : B 7 LYS NZ :NH3+ -161:sc= -0.0806 (180deg=-0.689) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ -164:sc= -0.0208 (180deg=-0.287) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -81:sc= 0.922 USER MOD Single : B 18 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : B 22 MET CE :methyl 163:sc= -0.231 (180deg=-1.5) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 74:sc= 0.301 USER MOD Single : B 42 LYS NZ :NH3+ -163:sc=-0.00965 (180deg=-0.373) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.631 F(o=-2.4,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.406 -3.198 24.342 1.00 0.00 N ATOM 2 CA PHE A 1 94.701 -3.871 25.468 1.00 0.00 C ATOM 3 C PHE A 1 94.238 -2.828 26.490 1.00 0.00 C ATOM 4 O PHE A 1 93.071 -2.500 26.574 1.00 0.00 O ATOM 5 CB PHE A 1 95.652 -4.859 26.153 1.00 0.00 C ATOM 6 CG PHE A 1 95.907 -6.051 25.254 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.775 -5.932 24.161 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.288 -7.280 25.524 1.00 0.00 C ATOM 9 CE1 PHE A 1 97.023 -7.039 23.339 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.534 -8.384 24.700 1.00 0.00 C ATOM 11 CZ PHE A 1 96.402 -8.266 23.609 1.00 0.00 C ATOM 0 H1 PHE A 1 95.863 -3.913 23.741 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.720 -2.658 23.776 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.127 -2.552 24.721 1.00 0.00 H new ATOM 0 HA PHE A 1 93.835 -4.405 25.076 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.594 -4.364 26.388 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.223 -5.192 27.098 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.253 -4.986 23.952 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.621 -7.375 26.368 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.693 -6.947 22.497 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.053 -9.329 24.907 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.593 -9.120 22.976 1.00 0.00 H new ATOM 23 N LEU A 2 95.144 -2.325 27.283 1.00 0.00 N ATOM 24 CA LEU A 2 94.764 -1.323 28.321 1.00 0.00 C ATOM 25 C LEU A 2 94.165 -0.071 27.675 1.00 0.00 C ATOM 26 O LEU A 2 93.210 0.495 28.167 1.00 0.00 O ATOM 27 CB LEU A 2 96.013 -0.935 29.115 1.00 0.00 C ATOM 28 CG LEU A 2 96.613 -2.178 29.795 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.956 -1.807 30.436 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.657 -2.706 30.880 1.00 0.00 C ATOM 0 H LEU A 2 96.135 -2.565 27.257 1.00 0.00 H new ATOM 0 HA LEU A 2 94.016 -1.763 28.980 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.750 -0.483 28.451 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.759 -0.187 29.866 1.00 0.00 H new ATOM 0 HG LEU A 2 96.762 -2.956 29.046 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.384 -2.686 30.919 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.639 -1.447 29.667 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.801 -1.024 31.179 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.094 -3.586 31.353 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.496 -1.932 31.631 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.703 -2.974 30.425 1.00 0.00 H new ATOM 42 N ASP A 3 94.723 0.375 26.589 1.00 0.00 N ATOM 43 CA ASP A 3 94.190 1.603 25.932 1.00 0.00 C ATOM 44 C ASP A 3 92.736 1.387 25.504 1.00 0.00 C ATOM 45 O ASP A 3 91.884 2.225 25.724 1.00 0.00 O ATOM 46 CB ASP A 3 95.042 1.928 24.709 1.00 0.00 C ATOM 47 CG ASP A 3 94.499 3.186 24.029 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.592 3.055 23.224 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.998 4.258 24.327 1.00 0.00 O ATOM 0 H ASP A 3 95.524 -0.054 26.126 1.00 0.00 H new ATOM 0 HA ASP A 3 94.227 2.432 26.639 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.080 2.081 25.006 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.030 1.091 24.011 1.00 0.00 H new ATOM 54 N GLY A 4 92.448 0.270 24.898 1.00 0.00 N ATOM 55 CA GLY A 4 91.050 -0.005 24.459 1.00 0.00 C ATOM 56 C GLY A 4 90.136 -0.032 25.682 1.00 0.00 C ATOM 57 O GLY A 4 89.016 0.436 25.652 1.00 0.00 O ATOM 0 H GLY A 4 93.121 -0.467 24.687 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.718 0.762 23.759 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.002 -0.959 23.933 1.00 0.00 H new ATOM 61 N ILE A 5 90.615 -0.586 26.757 1.00 0.00 N ATOM 62 CA ILE A 5 89.798 -0.664 27.995 1.00 0.00 C ATOM 63 C ILE A 5 89.502 0.745 28.523 1.00 0.00 C ATOM 64 O ILE A 5 88.415 1.019 28.991 1.00 0.00 O ATOM 65 CB ILE A 5 90.560 -1.490 29.040 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.522 -2.966 28.632 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.920 -1.319 30.421 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.477 -3.772 29.512 1.00 0.00 C ATOM 0 H ILE A 5 91.548 -0.992 26.831 1.00 0.00 H new ATOM 0 HA ILE A 5 88.845 -1.148 27.781 1.00 0.00 H new ATOM 0 HB ILE A 5 91.593 -1.145 29.090 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.508 -3.354 28.730 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.803 -3.070 27.584 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.470 -1.910 31.153 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.949 -0.268 30.708 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.884 -1.657 30.386 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.446 -4.821 29.217 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.491 -3.391 29.392 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.176 -3.679 30.556 1.00 0.00 H new ATOM 80 N ASP A 6 90.449 1.639 28.471 1.00 0.00 N ATOM 81 CA ASP A 6 90.185 3.010 28.999 1.00 0.00 C ATOM 82 C ASP A 6 89.028 3.654 28.229 1.00 0.00 C ATOM 83 O ASP A 6 88.153 4.257 28.818 1.00 0.00 O ATOM 84 CB ASP A 6 91.433 3.876 28.834 1.00 0.00 C ATOM 85 CG ASP A 6 92.498 3.420 29.830 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.334 3.695 31.006 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.458 2.804 29.400 1.00 0.00 O ATOM 0 H ASP A 6 91.383 1.485 28.091 1.00 0.00 H new ATOM 0 HA ASP A 6 89.924 2.935 30.055 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.813 3.796 27.816 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.187 4.925 29.001 1.00 0.00 H new ATOM 92 N LYS A 7 89.001 3.529 26.928 1.00 0.00 N ATOM 93 CA LYS A 7 87.874 4.139 26.160 1.00 0.00 C ATOM 94 C LYS A 7 86.594 3.356 26.465 1.00 0.00 C ATOM 95 O LYS A 7 85.530 3.919 26.638 1.00 0.00 O ATOM 96 CB LYS A 7 88.165 4.073 24.653 1.00 0.00 C ATOM 97 CG LYS A 7 89.315 5.020 24.296 1.00 0.00 C ATOM 98 CD LYS A 7 89.583 4.934 22.791 1.00 0.00 C ATOM 99 CE LYS A 7 90.759 5.838 22.419 1.00 0.00 C ATOM 100 NZ LYS A 7 90.523 7.212 22.946 1.00 0.00 N ATOM 0 H LYS A 7 89.700 3.038 26.370 1.00 0.00 H new ATOM 0 HA LYS A 7 87.757 5.183 26.450 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.423 3.053 24.369 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.272 4.345 24.090 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.061 6.043 24.575 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.212 4.750 24.854 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.802 3.904 22.510 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.693 5.233 22.237 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.684 5.435 22.830 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.878 5.869 21.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.155 7.882 22.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.534 7.484 22.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.715 7.230 23.968 1.00 0.00 H new ATOM 114 N ALA A 8 86.700 2.057 26.544 1.00 0.00 N ATOM 115 CA ALA A 8 85.509 1.212 26.851 1.00 0.00 C ATOM 116 C ALA A 8 85.083 1.413 28.309 1.00 0.00 C ATOM 117 O ALA A 8 83.922 1.299 28.647 1.00 0.00 O ATOM 118 CB ALA A 8 85.853 -0.259 26.620 1.00 0.00 C ATOM 0 H ALA A 8 87.569 1.540 26.408 1.00 0.00 H new ATOM 0 HA ALA A 8 84.688 1.504 26.196 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.983 -0.876 26.844 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.143 -0.406 25.580 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.679 -0.546 27.271 1.00 0.00 H new ATOM 124 N GLN A 9 86.011 1.692 29.183 1.00 0.00 N ATOM 125 CA GLN A 9 85.644 1.873 30.617 1.00 0.00 C ATOM 126 C GLN A 9 84.670 3.045 30.740 1.00 0.00 C ATOM 127 O GLN A 9 84.808 4.052 30.074 1.00 0.00 O ATOM 128 CB GLN A 9 86.904 2.165 31.432 1.00 0.00 C ATOM 129 CG GLN A 9 86.556 2.196 32.920 1.00 0.00 C ATOM 130 CD GLN A 9 87.821 2.474 33.734 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.918 2.413 33.214 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.713 2.782 34.995 1.00 0.00 N ATOM 0 H GLN A 9 87.002 1.802 28.968 1.00 0.00 H new ATOM 0 HA GLN A 9 85.174 0.965 30.995 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.658 1.402 31.240 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.333 3.120 31.128 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.809 2.966 33.114 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.118 1.245 33.222 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.792 2.833 35.430 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.549 2.972 35.547 1.00 0.00 H new ATOM 141 N GLU A 10 83.678 2.916 31.578 1.00 0.00 N ATOM 142 CA GLU A 10 82.683 4.016 31.733 1.00 0.00 C ATOM 143 C GLU A 10 81.802 3.729 32.952 1.00 0.00 C ATOM 144 O GLU A 10 81.706 2.606 33.407 1.00 0.00 O ATOM 145 CB GLU A 10 81.812 4.079 30.474 1.00 0.00 C ATOM 146 CG GLU A 10 80.804 5.228 30.586 1.00 0.00 C ATOM 147 CD GLU A 10 80.063 5.386 29.257 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.565 4.390 28.757 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.013 6.497 28.758 1.00 0.00 O ATOM 0 H GLU A 10 83.513 2.096 32.162 1.00 0.00 H new ATOM 0 HA GLU A 10 83.196 4.968 31.872 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.440 4.221 29.595 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.285 3.134 30.340 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.095 5.027 31.389 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.319 6.154 30.840 1.00 0.00 H new ATOM 156 N GLU A 11 81.161 4.737 33.481 1.00 0.00 N ATOM 157 CA GLU A 11 80.281 4.535 34.673 1.00 0.00 C ATOM 158 C GLU A 11 79.434 3.272 34.497 1.00 0.00 C ATOM 159 O GLU A 11 79.282 2.756 33.409 1.00 0.00 O ATOM 160 CB GLU A 11 79.356 5.742 34.837 1.00 0.00 C ATOM 161 CG GLU A 11 80.161 6.946 35.331 1.00 0.00 C ATOM 162 CD GLU A 11 79.229 8.152 35.476 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.150 8.113 34.906 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.609 9.091 36.155 1.00 0.00 O ATOM 0 H GLU A 11 81.208 5.697 33.138 1.00 0.00 H new ATOM 0 HA GLU A 11 80.907 4.426 35.558 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.878 5.978 33.886 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.561 5.509 35.545 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.630 6.717 36.288 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.964 7.174 34.630 1.00 0.00 H new ATOM 171 N HIS A 12 78.887 2.770 35.567 1.00 0.00 N ATOM 172 CA HIS A 12 78.056 1.540 35.476 1.00 0.00 C ATOM 173 C HIS A 12 76.736 1.862 34.776 1.00 0.00 C ATOM 174 O HIS A 12 75.682 1.882 35.381 1.00 0.00 O ATOM 175 CB HIS A 12 77.788 1.022 36.885 1.00 0.00 C ATOM 176 CG HIS A 12 76.844 -0.145 36.835 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.276 -1.442 36.588 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.493 -0.232 37.049 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.195 -2.250 36.673 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.090 -1.557 36.951 1.00 0.00 N ATOM 0 H HIS A 12 78.980 3.161 36.505 1.00 0.00 H new ATOM 0 HA HIS A 12 78.581 0.778 34.900 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.725 0.722 37.355 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.364 1.817 37.499 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.232 -1.731 36.381 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.841 0.603 37.261 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.223 -3.321 36.533 1.00 0.00 H new ATOM 188 N GLU A 13 76.794 2.112 33.501 1.00 0.00 N ATOM 189 CA GLU A 13 75.559 2.435 32.737 1.00 0.00 C ATOM 190 C GLU A 13 74.835 1.140 32.353 1.00 0.00 C ATOM 191 O GLU A 13 75.218 0.059 32.753 1.00 0.00 O ATOM 192 CB GLU A 13 75.946 3.196 31.471 1.00 0.00 C ATOM 193 CG GLU A 13 76.559 4.549 31.848 1.00 0.00 C ATOM 194 CD GLU A 13 75.473 5.465 32.417 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.379 5.458 31.877 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.757 6.161 33.380 1.00 0.00 O ATOM 0 H GLU A 13 77.652 2.107 32.949 1.00 0.00 H new ATOM 0 HA GLU A 13 74.897 3.046 33.350 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.659 2.613 30.888 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.068 3.346 30.843 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.352 4.408 32.583 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.015 5.010 30.972 1.00 0.00 H new ATOM 203 N LYS A 14 73.791 1.248 31.576 1.00 0.00 N ATOM 204 CA LYS A 14 73.034 0.033 31.155 1.00 0.00 C ATOM 205 C LYS A 14 73.912 -0.793 30.212 1.00 0.00 C ATOM 206 O LYS A 14 73.744 -1.989 30.076 1.00 0.00 O ATOM 207 CB LYS A 14 71.759 0.451 30.410 1.00 0.00 C ATOM 208 CG LYS A 14 70.896 1.370 31.288 1.00 0.00 C ATOM 209 CD LYS A 14 70.275 0.582 32.444 1.00 0.00 C ATOM 210 CE LYS A 14 69.208 1.444 33.119 1.00 0.00 C ATOM 211 NZ LYS A 14 69.846 2.666 33.687 1.00 0.00 N ATOM 0 H LYS A 14 73.428 2.129 31.213 1.00 0.00 H new ATOM 0 HA LYS A 14 72.766 -0.553 32.034 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.023 0.965 29.486 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.188 -0.434 30.130 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.505 2.184 31.681 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.109 1.824 30.686 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.833 -0.343 32.074 1.00 0.00 H new ATOM 0 HD3 LYS A 14 71.044 0.302 33.164 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.440 1.723 32.398 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.713 0.878 33.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 69.191 3.121 34.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 70.720 2.402 34.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.073 3.329 32.918 1.00 0.00 H new ATOM 225 N TYR A 15 74.845 -0.158 29.553 1.00 0.00 N ATOM 226 CA TYR A 15 75.735 -0.892 28.609 1.00 0.00 C ATOM 227 C TYR A 15 76.506 -1.980 29.367 1.00 0.00 C ATOM 228 O TYR A 15 76.794 -3.029 28.826 1.00 0.00 O ATOM 229 CB TYR A 15 76.721 0.091 27.959 1.00 0.00 C ATOM 230 CG TYR A 15 76.029 0.832 26.836 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.797 0.188 25.615 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.613 2.157 27.018 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.152 0.868 24.576 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.967 2.837 25.979 1.00 0.00 C ATOM 235 CZ TYR A 15 74.735 2.193 24.757 1.00 0.00 C ATOM 236 OH TYR A 15 74.096 2.862 23.733 1.00 0.00 O ATOM 0 H TYR A 15 75.029 0.842 29.629 1.00 0.00 H new ATOM 0 HA TYR A 15 75.131 -1.359 27.831 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.089 0.798 28.702 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.587 -0.447 27.574 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.116 -0.834 25.475 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.791 2.654 27.960 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.976 0.371 23.634 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.647 3.859 26.120 1.00 0.00 H new ATOM 0 HH TYR A 15 73.873 3.771 24.025 1.00 0.00 H new ATOM 246 N HIS A 16 76.854 -1.746 30.606 1.00 0.00 N ATOM 247 CA HIS A 16 77.610 -2.788 31.361 1.00 0.00 C ATOM 248 C HIS A 16 76.771 -4.068 31.432 1.00 0.00 C ATOM 249 O HIS A 16 77.285 -5.158 31.279 1.00 0.00 O ATOM 250 CB HIS A 16 77.899 -2.299 32.788 1.00 0.00 C ATOM 251 CG HIS A 16 79.074 -1.364 32.784 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.760 -1.035 33.947 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.696 -0.680 31.771 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.747 -0.185 33.605 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.749 0.062 32.293 1.00 0.00 N ATOM 0 H HIS A 16 76.651 -0.890 31.122 1.00 0.00 H new ATOM 0 HA HIS A 16 78.552 -2.985 30.850 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.022 -1.792 33.192 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.103 -3.150 33.438 1.00 0.00 H new ATOM 0 HD1 HIS A 16 79.554 -1.375 34.886 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.412 -0.713 30.730 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.449 0.243 34.305 1.00 0.00 H new ATOM 263 N SER A 17 75.487 -3.953 31.650 1.00 0.00 N ATOM 264 CA SER A 17 74.646 -5.184 31.708 1.00 0.00 C ATOM 265 C SER A 17 74.744 -5.892 30.359 1.00 0.00 C ATOM 266 O SER A 17 74.971 -7.083 30.285 1.00 0.00 O ATOM 267 CB SER A 17 73.190 -4.812 31.988 1.00 0.00 C ATOM 268 OG SER A 17 72.688 -4.039 30.907 1.00 0.00 O ATOM 0 H SER A 17 74.990 -3.073 31.789 1.00 0.00 H new ATOM 0 HA SER A 17 74.997 -5.837 32.507 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.590 -5.713 32.115 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.119 -4.248 32.918 1.00 0.00 H new ATOM 0 HG SER A 17 73.246 -3.243 30.787 1.00 0.00 H new ATOM 274 N ASN A 18 74.602 -5.159 29.286 1.00 0.00 N ATOM 275 CA ASN A 18 74.717 -5.775 27.933 1.00 0.00 C ATOM 276 C ASN A 18 76.162 -5.629 27.457 1.00 0.00 C ATOM 277 O ASN A 18 76.483 -4.758 26.672 1.00 0.00 O ATOM 278 CB ASN A 18 73.784 -5.051 26.959 1.00 0.00 C ATOM 279 CG ASN A 18 72.331 -5.323 27.348 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.552 -4.407 27.513 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.933 -6.556 27.507 1.00 0.00 N ATOM 0 H ASN A 18 74.411 -4.157 29.289 1.00 0.00 H new ATOM 0 HA ASN A 18 74.439 -6.828 27.976 1.00 0.00 H new ATOM 0 HB2 ASN A 18 73.982 -3.979 26.978 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.969 -5.392 25.940 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.967 -6.750 27.770 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.588 -7.325 27.368 1.00 0.00 H new ATOM 288 N TRP A 19 77.039 -6.469 27.928 1.00 0.00 N ATOM 289 CA TRP A 19 78.465 -6.371 27.509 1.00 0.00 C ATOM 290 C TRP A 19 78.601 -6.788 26.044 1.00 0.00 C ATOM 291 O TRP A 19 79.546 -6.426 25.373 1.00 0.00 O ATOM 292 CB TRP A 19 79.334 -7.270 28.392 1.00 0.00 C ATOM 293 CG TRP A 19 78.929 -8.696 28.224 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.081 -9.361 29.042 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.336 -9.645 27.197 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.951 -10.660 28.590 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.702 -10.883 27.455 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.187 -9.556 26.080 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.904 -11.992 26.638 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.389 -10.673 25.252 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.749 -11.888 25.533 1.00 0.00 C ATOM 0 H TRP A 19 76.831 -7.220 28.586 1.00 0.00 H new ATOM 0 HA TRP A 19 78.800 -5.340 27.620 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.384 -7.148 28.127 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.233 -6.975 29.436 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.586 -8.944 29.907 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.371 -11.368 29.041 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.687 -8.625 25.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.410 -12.927 26.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.041 -10.595 24.394 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.910 -12.744 24.894 1.00 0.00 H new ATOM 312 N ARG A 20 77.677 -7.564 25.550 1.00 0.00 N ATOM 313 CA ARG A 20 77.767 -8.021 24.134 1.00 0.00 C ATOM 314 C ARG A 20 77.743 -6.821 23.186 1.00 0.00 C ATOM 315 O ARG A 20 78.458 -6.784 22.205 1.00 0.00 O ATOM 316 CB ARG A 20 76.572 -8.923 23.822 1.00 0.00 C ATOM 317 CG ARG A 20 76.717 -10.245 24.577 1.00 0.00 C ATOM 318 CD ARG A 20 75.524 -11.147 24.262 1.00 0.00 C ATOM 319 NE ARG A 20 75.565 -12.355 25.134 1.00 0.00 N ATOM 320 CZ ARG A 20 74.498 -13.093 25.268 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.402 -12.769 24.640 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.519 -14.149 26.036 1.00 0.00 N ATOM 0 H ARG A 20 76.864 -7.902 26.065 1.00 0.00 H new ATOM 0 HA ARG A 20 78.700 -8.567 23.997 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.645 -8.428 24.110 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.514 -9.109 22.750 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.645 -10.739 24.291 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.772 -10.059 25.650 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.593 -10.603 24.421 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.546 -11.443 23.213 1.00 0.00 H new ATOM 0 HE ARG A 20 76.424 -12.604 25.624 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.381 -11.940 24.046 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.566 -13.344 24.743 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.373 -14.400 26.535 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.682 -14.723 26.137 1.00 0.00 H new ATOM 336 N ALA A 21 76.932 -5.839 23.460 1.00 0.00 N ATOM 337 CA ALA A 21 76.881 -4.655 22.556 1.00 0.00 C ATOM 338 C ALA A 21 78.238 -3.953 22.562 1.00 0.00 C ATOM 339 O ALA A 21 78.719 -3.502 21.542 1.00 0.00 O ATOM 340 CB ALA A 21 75.809 -3.680 23.041 1.00 0.00 C ATOM 0 H ALA A 21 76.306 -5.803 24.264 1.00 0.00 H new ATOM 0 HA ALA A 21 76.640 -4.985 21.545 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.776 -2.816 22.377 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.839 -4.176 23.040 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.047 -3.351 24.053 1.00 0.00 H new ATOM 346 N MET A 22 78.857 -3.853 23.706 1.00 0.00 N ATOM 347 CA MET A 22 80.180 -3.172 23.777 1.00 0.00 C ATOM 348 C MET A 22 81.202 -3.941 22.938 1.00 0.00 C ATOM 349 O MET A 22 82.015 -3.357 22.252 1.00 0.00 O ATOM 350 CB MET A 22 80.636 -3.119 25.238 1.00 0.00 C ATOM 351 CG MET A 22 81.967 -2.374 25.344 1.00 0.00 C ATOM 352 SD MET A 22 82.327 -2.043 27.089 1.00 0.00 S ATOM 353 CE MET A 22 82.405 -3.763 27.649 1.00 0.00 C ATOM 0 H MET A 22 78.505 -4.213 24.593 1.00 0.00 H new ATOM 0 HA MET A 22 80.095 -2.158 23.385 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.881 -2.620 25.845 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.743 -4.130 25.631 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.766 -2.968 24.902 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.919 -1.439 24.786 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.953 -3.815 28.590 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.394 -4.144 27.796 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.915 -4.367 26.899 1.00 0.00 H new ATOM 363 N ALA A 23 81.165 -5.242 22.977 1.00 0.00 N ATOM 364 CA ALA A 23 82.138 -6.034 22.169 1.00 0.00 C ATOM 365 C ALA A 23 81.919 -5.743 20.683 1.00 0.00 C ATOM 366 O ALA A 23 82.850 -5.506 19.939 1.00 0.00 O ATOM 367 CB ALA A 23 81.933 -7.529 22.439 1.00 0.00 C ATOM 0 H ALA A 23 80.507 -5.792 23.530 1.00 0.00 H new ATOM 0 HA ALA A 23 83.155 -5.756 22.447 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.644 -8.106 21.848 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.091 -7.733 23.498 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.917 -7.813 22.163 1.00 0.00 H new ATOM 373 N SER A 24 80.694 -5.759 20.246 1.00 0.00 N ATOM 374 CA SER A 24 80.402 -5.490 18.810 1.00 0.00 C ATOM 375 C SER A 24 80.787 -4.053 18.456 1.00 0.00 C ATOM 376 O SER A 24 81.304 -3.785 17.391 1.00 0.00 O ATOM 377 CB SER A 24 78.913 -5.695 18.548 1.00 0.00 C ATOM 378 OG SER A 24 78.597 -7.072 18.711 1.00 0.00 O ATOM 0 H SER A 24 79.875 -5.948 20.824 1.00 0.00 H new ATOM 0 HA SER A 24 80.982 -6.177 18.194 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.323 -5.090 19.237 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.660 -5.368 17.539 1.00 0.00 H new ATOM 0 HG SER A 24 77.641 -7.210 18.546 1.00 0.00 H new ATOM 384 N ASP A 25 80.519 -3.128 19.333 1.00 0.00 N ATOM 385 CA ASP A 25 80.853 -1.703 19.047 1.00 0.00 C ATOM 386 C ASP A 25 82.365 -1.551 18.864 1.00 0.00 C ATOM 387 O ASP A 25 82.824 -0.820 18.009 1.00 0.00 O ATOM 388 CB ASP A 25 80.381 -0.819 20.203 1.00 0.00 C ATOM 389 CG ASP A 25 78.851 -0.743 20.196 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.292 -0.526 19.133 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.266 -0.906 21.254 1.00 0.00 O ATOM 0 H ASP A 25 80.082 -3.296 20.239 1.00 0.00 H new ATOM 0 HA ASP A 25 80.349 -1.395 18.131 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.731 -1.225 21.152 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.806 0.180 20.108 1.00 0.00 H new ATOM 396 N PHE A 26 83.146 -2.232 19.669 1.00 0.00 N ATOM 397 CA PHE A 26 84.637 -2.129 19.550 1.00 0.00 C ATOM 398 C PHE A 26 85.178 -3.333 18.768 1.00 0.00 C ATOM 399 O PHE A 26 86.370 -3.466 18.570 1.00 0.00 O ATOM 400 CB PHE A 26 85.268 -2.111 20.948 1.00 0.00 C ATOM 401 CG PHE A 26 85.046 -0.765 21.592 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.895 -0.533 22.353 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.997 0.249 21.434 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.695 0.714 22.957 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.798 1.497 22.035 1.00 0.00 C ATOM 406 CZ PHE A 26 84.647 1.729 22.796 1.00 0.00 C ATOM 0 H PHE A 26 82.815 -2.856 20.405 1.00 0.00 H new ATOM 0 HA PHE A 26 84.889 -1.208 19.024 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.830 -2.896 21.565 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.336 -2.319 20.878 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.161 -1.316 22.474 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.886 0.068 20.848 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.808 0.893 23.546 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.532 2.280 21.912 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.492 2.692 23.260 1.00 0.00 H new ATOM 416 N ASN A 27 84.312 -4.205 18.323 1.00 0.00 N ATOM 417 CA ASN A 27 84.768 -5.399 17.547 1.00 0.00 C ATOM 418 C ASN A 27 85.827 -6.180 18.337 1.00 0.00 C ATOM 419 O ASN A 27 86.854 -6.553 17.806 1.00 0.00 O ATOM 420 CB ASN A 27 85.356 -4.949 16.203 1.00 0.00 C ATOM 421 CG ASN A 27 84.270 -4.258 15.371 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.188 -4.785 15.206 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.513 -3.092 14.835 1.00 0.00 N ATOM 0 H ASN A 27 83.304 -4.142 18.464 1.00 0.00 H new ATOM 0 HA ASN A 27 83.911 -6.049 17.371 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.190 -4.267 16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.751 -5.809 15.662 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.795 -2.626 14.280 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.421 -2.647 14.972 1.00 0.00 H new ATOM 430 N LEU A 28 85.575 -6.445 19.599 1.00 0.00 N ATOM 431 CA LEU A 28 86.553 -7.220 20.436 1.00 0.00 C ATOM 432 C LEU A 28 85.858 -8.495 20.931 1.00 0.00 C ATOM 433 O LEU A 28 84.657 -8.507 21.115 1.00 0.00 O ATOM 434 CB LEU A 28 86.959 -6.379 21.656 1.00 0.00 C ATOM 435 CG LEU A 28 87.810 -5.169 21.222 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.774 -4.099 22.320 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.271 -5.590 21.002 1.00 0.00 C ATOM 0 H LEU A 28 84.728 -6.156 20.089 1.00 0.00 H new ATOM 0 HA LEU A 28 87.437 -7.464 19.847 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.067 -6.034 22.180 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.523 -6.994 22.357 1.00 0.00 H new ATOM 0 HG LEU A 28 87.401 -4.776 20.291 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.376 -3.243 22.014 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.745 -3.779 22.483 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.176 -4.513 23.245 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.857 -4.723 20.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.677 -5.994 21.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.317 -6.352 20.224 1.00 0.00 H new ATOM 449 N PRO A 29 86.590 -9.562 21.157 1.00 0.00 N ATOM 450 CA PRO A 29 85.986 -10.834 21.647 1.00 0.00 C ATOM 451 C PRO A 29 85.503 -10.693 23.103 1.00 0.00 C ATOM 452 O PRO A 29 86.038 -9.902 23.856 1.00 0.00 O ATOM 453 CB PRO A 29 87.135 -11.851 21.538 1.00 0.00 C ATOM 454 CG PRO A 29 88.385 -11.033 21.615 1.00 0.00 C ATOM 455 CD PRO A 29 88.050 -9.682 20.974 1.00 0.00 C ATOM 0 HA PRO A 29 85.107 -11.131 21.075 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.092 -12.583 22.345 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.083 -12.406 20.601 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.704 -10.905 22.649 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.204 -11.522 21.087 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.583 -8.865 21.460 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.325 -9.660 19.919 1.00 0.00 H new ATOM 463 N PRO A 30 84.504 -11.442 23.508 1.00 0.00 N ATOM 464 CA PRO A 30 83.970 -11.367 24.899 1.00 0.00 C ATOM 465 C PRO A 30 85.086 -11.279 25.953 1.00 0.00 C ATOM 466 O PRO A 30 84.853 -10.934 27.093 1.00 0.00 O ATOM 467 CB PRO A 30 83.192 -12.681 25.054 1.00 0.00 C ATOM 468 CG PRO A 30 82.747 -13.045 23.671 1.00 0.00 C ATOM 469 CD PRO A 30 83.774 -12.442 22.700 1.00 0.00 C ATOM 0 HA PRO A 30 83.364 -10.474 25.052 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.821 -13.462 25.483 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.339 -12.556 25.721 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.694 -14.127 23.554 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.750 -12.654 23.470 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.447 -13.205 22.310 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.286 -11.979 21.842 1.00 0.00 H new ATOM 477 N VAL A 31 86.289 -11.618 25.588 1.00 0.00 N ATOM 478 CA VAL A 31 87.406 -11.589 26.578 1.00 0.00 C ATOM 479 C VAL A 31 87.605 -10.187 27.143 1.00 0.00 C ATOM 480 O VAL A 31 87.600 -9.988 28.343 1.00 0.00 O ATOM 481 CB VAL A 31 88.693 -12.031 25.877 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.879 -11.926 26.836 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.548 -13.475 25.401 1.00 0.00 C ATOM 0 H VAL A 31 86.550 -11.914 24.648 1.00 0.00 H new ATOM 0 HA VAL A 31 87.161 -12.260 27.401 1.00 0.00 H new ATOM 0 HB VAL A 31 88.870 -11.380 25.021 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.789 -12.243 26.326 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.989 -10.893 27.166 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.706 -12.567 27.701 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.465 -13.788 24.902 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.361 -14.123 26.257 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.713 -13.546 24.703 1.00 0.00 H new ATOM 493 N VAL A 32 87.790 -9.215 26.303 1.00 0.00 N ATOM 494 CA VAL A 32 88.001 -7.836 26.816 1.00 0.00 C ATOM 495 C VAL A 32 86.706 -7.341 27.458 1.00 0.00 C ATOM 496 O VAL A 32 86.714 -6.705 28.493 1.00 0.00 O ATOM 497 CB VAL A 32 88.398 -6.918 25.657 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.379 -5.457 26.122 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.808 -7.289 25.187 1.00 0.00 C ATOM 0 H VAL A 32 87.805 -9.312 25.288 1.00 0.00 H new ATOM 0 HA VAL A 32 88.798 -7.832 27.560 1.00 0.00 H new ATOM 0 HB VAL A 32 87.691 -7.039 24.836 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.662 -4.808 25.294 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.376 -5.196 26.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.085 -5.327 26.942 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.099 -6.640 24.361 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.511 -7.165 26.011 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.819 -8.327 24.854 1.00 0.00 H new ATOM 509 N ALA A 33 85.592 -7.631 26.847 1.00 0.00 N ATOM 510 CA ALA A 33 84.290 -7.184 27.412 1.00 0.00 C ATOM 511 C ALA A 33 84.064 -7.828 28.784 1.00 0.00 C ATOM 512 O ALA A 33 83.701 -7.163 29.734 1.00 0.00 O ATOM 513 CB ALA A 33 83.159 -7.577 26.458 1.00 0.00 C ATOM 0 H ALA A 33 85.527 -8.160 25.977 1.00 0.00 H new ATOM 0 HA ALA A 33 84.302 -6.101 27.531 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.205 -7.250 26.871 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.318 -7.101 25.490 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.148 -8.660 26.333 1.00 0.00 H new ATOM 519 N LYS A 34 84.281 -9.114 28.906 1.00 0.00 N ATOM 520 CA LYS A 34 84.075 -9.770 30.228 1.00 0.00 C ATOM 521 C LYS A 34 85.046 -9.195 31.261 1.00 0.00 C ATOM 522 O LYS A 34 84.691 -8.990 32.406 1.00 0.00 O ATOM 523 CB LYS A 34 84.265 -11.286 30.105 1.00 0.00 C ATOM 524 CG LYS A 34 83.066 -11.895 29.367 1.00 0.00 C ATOM 525 CD LYS A 34 83.258 -13.409 29.244 1.00 0.00 C ATOM 526 CE LYS A 34 82.050 -14.038 28.537 1.00 0.00 C ATOM 527 NZ LYS A 34 80.945 -14.235 29.517 1.00 0.00 N ATOM 0 H LYS A 34 84.589 -9.730 28.154 1.00 0.00 H new ATOM 0 HA LYS A 34 83.056 -9.573 30.560 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.187 -11.505 29.566 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.361 -11.732 31.095 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.144 -11.677 29.907 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.969 -11.448 28.377 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.169 -13.624 28.685 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.380 -13.850 30.234 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.717 -13.395 27.722 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.332 -14.993 28.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.127 -14.661 29.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.266 -14.865 30.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.670 -13.316 29.919 1.00 0.00 H new ATOM 541 N GLU A 35 86.270 -8.941 30.884 1.00 0.00 N ATOM 542 CA GLU A 35 87.243 -8.390 31.871 1.00 0.00 C ATOM 543 C GLU A 35 86.739 -7.045 32.396 1.00 0.00 C ATOM 544 O GLU A 35 86.846 -6.753 33.569 1.00 0.00 O ATOM 545 CB GLU A 35 88.611 -8.199 31.208 1.00 0.00 C ATOM 546 CG GLU A 35 89.661 -7.824 32.269 1.00 0.00 C ATOM 547 CD GLU A 35 89.569 -6.333 32.616 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.891 -5.612 31.903 1.00 0.00 O ATOM 549 OE2 GLU A 35 90.188 -5.939 33.591 1.00 0.00 O ATOM 0 H GLU A 35 86.636 -9.089 29.944 1.00 0.00 H new ATOM 0 HA GLU A 35 87.341 -9.091 32.700 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.908 -9.115 30.698 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.552 -7.417 30.451 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.508 -8.422 33.167 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.659 -8.056 31.898 1.00 0.00 H new ATOM 556 N ILE A 36 86.183 -6.223 31.544 1.00 0.00 N ATOM 557 CA ILE A 36 85.674 -4.908 32.024 1.00 0.00 C ATOM 558 C ILE A 36 84.549 -5.163 33.027 1.00 0.00 C ATOM 559 O ILE A 36 84.443 -4.509 34.046 1.00 0.00 O ATOM 560 CB ILE A 36 85.141 -4.104 30.834 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.308 -3.732 29.916 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.467 -2.825 31.337 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.771 -3.232 28.575 1.00 0.00 C ATOM 0 H ILE A 36 86.061 -6.404 30.548 1.00 0.00 H new ATOM 0 HA ILE A 36 86.474 -4.342 32.501 1.00 0.00 H new ATOM 0 HB ILE A 36 84.415 -4.704 30.286 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.920 -2.961 30.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.951 -4.598 29.761 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.089 -2.255 30.488 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.640 -3.085 31.997 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.192 -2.223 31.884 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.605 -2.968 27.925 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.178 -4.017 28.105 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.146 -2.354 28.738 1.00 0.00 H new ATOM 575 N VAL A 37 83.721 -6.130 32.749 1.00 0.00 N ATOM 576 CA VAL A 37 82.603 -6.467 33.676 1.00 0.00 C ATOM 577 C VAL A 37 83.180 -6.986 34.997 1.00 0.00 C ATOM 578 O VAL A 37 82.686 -6.683 36.066 1.00 0.00 O ATOM 579 CB VAL A 37 81.730 -7.549 33.031 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.727 -8.096 34.052 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.975 -6.943 31.848 1.00 0.00 C ATOM 0 H VAL A 37 83.771 -6.708 31.910 1.00 0.00 H new ATOM 0 HA VAL A 37 82.000 -5.580 33.871 1.00 0.00 H new ATOM 0 HB VAL A 37 82.365 -8.366 32.688 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.112 -8.864 33.583 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.265 -8.528 34.896 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.089 -7.286 34.405 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.352 -7.707 31.384 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.346 -6.125 32.199 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.689 -6.564 31.117 1.00 0.00 H new ATOM 591 N ALA A 38 84.212 -7.778 34.925 1.00 0.00 N ATOM 592 CA ALA A 38 84.820 -8.336 36.167 1.00 0.00 C ATOM 593 C ALA A 38 85.472 -7.217 36.976 1.00 0.00 C ATOM 594 O ALA A 38 85.551 -7.281 38.188 1.00 0.00 O ATOM 595 CB ALA A 38 85.879 -9.378 35.800 1.00 0.00 C ATOM 0 H ALA A 38 84.663 -8.065 34.056 1.00 0.00 H new ATOM 0 HA ALA A 38 84.038 -8.805 36.764 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.321 -9.784 36.710 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.415 -10.184 35.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.656 -8.910 35.196 1.00 0.00 H new ATOM 601 N SER A 39 85.950 -6.196 36.323 1.00 0.00 N ATOM 602 CA SER A 39 86.604 -5.086 37.068 1.00 0.00 C ATOM 603 C SER A 39 85.539 -4.264 37.798 1.00 0.00 C ATOM 604 O SER A 39 85.769 -3.756 38.878 1.00 0.00 O ATOM 605 CB SER A 39 87.363 -4.185 36.090 1.00 0.00 C ATOM 606 OG SER A 39 88.412 -4.927 35.480 1.00 0.00 O ATOM 0 H SER A 39 85.917 -6.082 35.310 1.00 0.00 H new ATOM 0 HA SER A 39 87.304 -5.501 37.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.683 -3.802 35.329 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.771 -3.322 36.616 1.00 0.00 H new ATOM 0 HG SER A 39 88.033 -5.561 34.836 1.00 0.00 H new ATOM 612 N CYS A 40 84.373 -4.133 37.223 1.00 0.00 N ATOM 613 CA CYS A 40 83.297 -3.347 37.896 1.00 0.00 C ATOM 614 C CYS A 40 82.704 -4.173 39.041 1.00 0.00 C ATOM 615 O CYS A 40 82.058 -5.181 38.827 1.00 0.00 O ATOM 616 CB CYS A 40 82.198 -3.011 36.885 1.00 0.00 C ATOM 617 SG CYS A 40 81.017 -1.863 37.635 1.00 0.00 S ATOM 0 H CYS A 40 84.119 -4.534 36.320 1.00 0.00 H new ATOM 0 HA CYS A 40 83.717 -2.423 38.293 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.635 -2.567 35.991 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.687 -3.921 36.571 1.00 0.00 H new ATOM 0 HG CYS A 40 80.351 -1.253 36.700 1.00 0.00 H new ATOM 622 N ASP A 41 82.927 -3.752 40.254 1.00 0.00 N ATOM 623 CA ASP A 41 82.389 -4.500 41.426 1.00 0.00 C ATOM 624 C ASP A 41 80.862 -4.562 41.363 1.00 0.00 C ATOM 625 O ASP A 41 80.259 -5.565 41.689 1.00 0.00 O ATOM 626 CB ASP A 41 82.815 -3.794 42.718 1.00 0.00 C ATOM 627 CG ASP A 41 84.321 -3.968 42.924 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.074 -3.245 42.293 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.695 -4.824 43.707 1.00 0.00 O ATOM 0 H ASP A 41 83.463 -2.916 40.486 1.00 0.00 H new ATOM 0 HA ASP A 41 82.785 -5.515 41.409 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.565 -2.734 42.665 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.271 -4.208 43.567 1.00 0.00 H new ATOM 634 N LYS A 42 80.231 -3.494 40.970 1.00 0.00 N ATOM 635 CA LYS A 42 78.741 -3.488 40.911 1.00 0.00 C ATOM 636 C LYS A 42 78.245 -4.567 39.944 1.00 0.00 C ATOM 637 O LYS A 42 77.279 -5.253 40.210 1.00 0.00 O ATOM 638 CB LYS A 42 78.268 -2.120 40.422 1.00 0.00 C ATOM 639 CG LYS A 42 78.563 -1.059 41.486 1.00 0.00 C ATOM 640 CD LYS A 42 78.085 0.307 40.986 1.00 0.00 C ATOM 641 CE LYS A 42 78.375 1.376 42.043 1.00 0.00 C ATOM 642 NZ LYS A 42 77.542 1.121 43.251 1.00 0.00 N ATOM 0 H LYS A 42 80.680 -2.623 40.686 1.00 0.00 H new ATOM 0 HA LYS A 42 78.342 -3.692 41.905 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.771 -1.863 39.490 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.199 -2.149 40.210 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.060 -1.314 42.419 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.632 -1.028 41.698 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.588 0.559 40.053 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.017 0.273 40.773 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.432 1.363 42.308 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.159 2.366 41.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.500 1.983 43.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.580 0.853 42.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.963 0.349 43.806 1.00 0.00 H new ATOM 656 N CYS A 43 78.894 -4.724 38.822 1.00 0.00 N ATOM 657 CA CYS A 43 78.445 -5.759 37.848 1.00 0.00 C ATOM 658 C CYS A 43 78.905 -7.143 38.314 1.00 0.00 C ATOM 659 O CYS A 43 78.293 -8.150 38.012 1.00 0.00 O ATOM 660 CB CYS A 43 79.066 -5.495 36.477 1.00 0.00 C ATOM 661 SG CYS A 43 78.734 -3.800 35.948 1.00 0.00 S ATOM 0 H CYS A 43 79.711 -4.183 38.539 1.00 0.00 H new ATOM 0 HA CYS A 43 77.358 -5.719 37.783 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.142 -5.665 36.520 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.661 -6.196 35.747 1.00 0.00 H new ATOM 0 HG CYS A 43 79.516 -2.984 36.591 1.00 0.00 H new ATOM 666 N GLN A 44 80.010 -7.199 39.008 1.00 0.00 N ATOM 667 CA GLN A 44 80.557 -8.515 39.456 1.00 0.00 C ATOM 668 C GLN A 44 79.818 -9.038 40.688 1.00 0.00 C ATOM 669 O GLN A 44 79.110 -10.023 40.620 1.00 0.00 O ATOM 670 CB GLN A 44 82.044 -8.348 39.781 1.00 0.00 C ATOM 671 CG GLN A 44 82.669 -9.708 40.098 1.00 0.00 C ATOM 672 CD GLN A 44 84.173 -9.526 40.312 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.968 -9.511 39.277 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.628 -9.387 41.429 1.00 0.00 N ATOM 0 H GLN A 44 80.561 -6.387 39.286 1.00 0.00 H new ATOM 0 HA GLN A 44 80.421 -9.239 38.653 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.559 -7.890 38.937 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.165 -7.676 40.631 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.210 -10.135 40.990 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.486 -10.406 39.281 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.007 -9.399 42.238 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.632 -9.258 41.559 1.00 0.00 H new ATOM 844 N PHE B 1 93.388 -14.434 21.169 1.00 0.00 N ATOM 845 CA PHE B 1 92.601 -14.156 22.402 1.00 0.00 C ATOM 846 C PHE B 1 92.029 -15.464 22.957 1.00 0.00 C ATOM 847 O PHE B 1 92.507 -15.996 23.939 1.00 0.00 O ATOM 848 CB PHE B 1 91.444 -13.202 22.077 1.00 0.00 C ATOM 849 CG PHE B 1 91.976 -11.813 21.791 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.587 -11.536 20.563 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.848 -10.801 22.752 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.071 -10.249 20.295 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.333 -9.514 22.484 1.00 0.00 C ATOM 854 CZ PHE B 1 92.943 -9.239 21.256 1.00 0.00 C ATOM 0 H1 PHE B 1 93.588 -13.540 20.676 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.284 -14.895 21.426 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.843 -15.061 20.543 1.00 0.00 H new ATOM 0 HA PHE B 1 93.256 -13.698 23.143 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.890 -13.572 21.214 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.746 -13.167 22.913 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.686 -12.315 19.821 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.375 -11.013 23.700 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.543 -10.036 19.347 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.236 -8.735 23.225 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.316 -8.247 21.049 1.00 0.00 H new ATOM 866 N LEU B 2 90.995 -15.971 22.346 1.00 0.00 N ATOM 867 CA LEU B 2 90.367 -17.228 22.845 1.00 0.00 C ATOM 868 C LEU B 2 91.365 -18.389 22.804 1.00 0.00 C ATOM 869 O LEU B 2 91.409 -19.208 23.698 1.00 0.00 O ATOM 870 CB LEU B 2 89.163 -17.569 21.961 1.00 0.00 C ATOM 871 CG LEU B 2 88.134 -16.429 22.008 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.032 -16.702 20.978 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.515 -16.328 23.414 1.00 0.00 C ATOM 0 H LEU B 2 90.555 -15.568 21.519 1.00 0.00 H new ATOM 0 HA LEU B 2 90.051 -17.077 23.877 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.490 -17.732 20.934 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.704 -18.498 22.300 1.00 0.00 H new ATOM 0 HG LEU B 2 88.631 -15.487 21.776 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.299 -15.896 21.007 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.471 -16.758 19.982 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.542 -17.647 21.212 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.788 -15.516 23.434 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.019 -17.266 23.661 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.300 -16.130 24.144 1.00 0.00 H new ATOM 885 N ASP B 3 92.153 -18.477 21.772 1.00 0.00 N ATOM 886 CA ASP B 3 93.128 -19.602 21.679 1.00 0.00 C ATOM 887 C ASP B 3 94.113 -19.542 22.846 1.00 0.00 C ATOM 888 O ASP B 3 94.404 -20.539 23.478 1.00 0.00 O ATOM 889 CB ASP B 3 93.892 -19.497 20.363 1.00 0.00 C ATOM 890 CG ASP B 3 94.896 -20.647 20.259 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.991 -20.502 20.776 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.554 -21.654 19.660 1.00 0.00 O ATOM 0 H ASP B 3 92.166 -17.822 20.990 1.00 0.00 H new ATOM 0 HA ASP B 3 92.588 -20.548 21.719 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.197 -19.531 19.524 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.412 -18.541 20.308 1.00 0.00 H new ATOM 897 N GLY B 4 94.631 -18.383 23.136 1.00 0.00 N ATOM 898 CA GLY B 4 95.598 -18.261 24.263 1.00 0.00 C ATOM 899 C GLY B 4 94.904 -18.660 25.565 1.00 0.00 C ATOM 900 O GLY B 4 95.482 -19.292 26.425 1.00 0.00 O ATOM 0 H GLY B 4 94.427 -17.514 22.642 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.463 -18.901 24.087 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.967 -17.238 24.332 1.00 0.00 H new ATOM 904 N ILE B 5 93.664 -18.290 25.708 1.00 0.00 N ATOM 905 CA ILE B 5 92.906 -18.634 26.942 1.00 0.00 C ATOM 906 C ILE B 5 92.750 -20.155 27.063 1.00 0.00 C ATOM 907 O ILE B 5 92.845 -20.706 28.141 1.00 0.00 O ATOM 908 CB ILE B 5 91.532 -17.947 26.888 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.719 -16.443 27.123 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.605 -18.528 27.959 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.415 -15.699 26.830 1.00 0.00 C ATOM 0 H ILE B 5 93.137 -17.758 25.015 1.00 0.00 H new ATOM 0 HA ILE B 5 93.449 -18.284 27.819 1.00 0.00 H new ATOM 0 HB ILE B 5 91.080 -18.117 25.911 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.026 -16.263 28.153 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.515 -16.063 26.483 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.636 -18.032 27.909 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.475 -19.597 27.787 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.043 -18.370 28.944 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.559 -14.632 27.000 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.126 -15.865 25.792 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.629 -16.069 27.489 1.00 0.00 H new ATOM 923 N ASP B 6 92.500 -20.841 25.983 1.00 0.00 N ATOM 924 CA ASP B 6 92.328 -22.319 26.084 1.00 0.00 C ATOM 925 C ASP B 6 93.601 -22.960 26.645 1.00 0.00 C ATOM 926 O ASP B 6 93.540 -23.820 27.500 1.00 0.00 O ATOM 927 CB ASP B 6 92.042 -22.901 24.699 1.00 0.00 C ATOM 928 CG ASP B 6 90.632 -22.506 24.262 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.688 -23.062 24.802 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.518 -21.654 23.397 1.00 0.00 O ATOM 0 H ASP B 6 92.408 -20.450 25.046 1.00 0.00 H new ATOM 0 HA ASP B 6 91.493 -22.530 26.752 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.774 -22.533 23.980 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.136 -23.987 24.722 1.00 0.00 H new ATOM 935 N LYS B 7 94.754 -22.550 26.187 1.00 0.00 N ATOM 936 CA LYS B 7 96.008 -23.151 26.729 1.00 0.00 C ATOM 937 C LYS B 7 96.190 -22.683 28.174 1.00 0.00 C ATOM 938 O LYS B 7 96.578 -23.437 29.044 1.00 0.00 O ATOM 939 CB LYS B 7 97.216 -22.702 25.895 1.00 0.00 C ATOM 940 CG LYS B 7 97.158 -23.336 24.503 1.00 0.00 C ATOM 941 CD LYS B 7 98.371 -22.877 23.690 1.00 0.00 C ATOM 942 CE LYS B 7 98.307 -23.462 22.277 1.00 0.00 C ATOM 943 NZ LYS B 7 98.130 -24.940 22.349 1.00 0.00 N ATOM 0 H LYS B 7 94.882 -21.835 25.471 1.00 0.00 H new ATOM 0 HA LYS B 7 95.937 -24.238 26.688 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.224 -21.615 25.808 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.141 -22.989 26.396 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.151 -24.423 24.585 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.236 -23.048 23.997 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.395 -21.788 23.641 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.290 -23.194 24.182 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.480 -23.014 21.725 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.220 -23.222 21.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.404 -25.367 21.441 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.728 -25.325 23.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.134 -25.161 22.548 1.00 0.00 H new ATOM 957 N ALA B 8 95.901 -21.438 28.432 1.00 0.00 N ATOM 958 CA ALA B 8 96.037 -20.901 29.816 1.00 0.00 C ATOM 959 C ALA B 8 94.956 -21.493 30.724 1.00 0.00 C ATOM 960 O ALA B 8 95.150 -21.652 31.914 1.00 0.00 O ATOM 961 CB ALA B 8 95.899 -19.380 29.786 1.00 0.00 C ATOM 0 H ALA B 8 95.574 -20.765 27.739 1.00 0.00 H new ATOM 0 HA ALA B 8 97.016 -21.176 30.208 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.998 -18.986 30.797 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.679 -18.956 29.153 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.921 -19.111 29.386 1.00 0.00 H new ATOM 967 N GLN B 9 93.809 -21.805 30.179 1.00 0.00 N ATOM 968 CA GLN B 9 92.713 -22.363 31.023 1.00 0.00 C ATOM 969 C GLN B 9 93.178 -23.680 31.646 1.00 0.00 C ATOM 970 O GLN B 9 93.839 -24.478 31.013 1.00 0.00 O ATOM 971 CB GLN B 9 91.474 -22.612 30.155 1.00 0.00 C ATOM 972 CG GLN B 9 90.299 -23.027 31.044 1.00 0.00 C ATOM 973 CD GLN B 9 89.057 -23.265 30.182 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.027 -22.904 29.023 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.022 -23.867 30.704 1.00 0.00 N ATOM 0 H GLN B 9 93.585 -21.698 29.190 1.00 0.00 H new ATOM 0 HA GLN B 9 92.462 -21.655 31.813 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.221 -21.710 29.598 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.682 -23.392 29.422 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.550 -23.933 31.595 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.098 -22.251 31.782 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.046 -24.171 31.677 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.190 -24.033 30.138 1.00 0.00 H new ATOM 984 N GLU B 10 92.850 -23.906 32.890 1.00 0.00 N ATOM 985 CA GLU B 10 93.288 -25.160 33.557 1.00 0.00 C ATOM 986 C GLU B 10 92.545 -25.312 34.888 1.00 0.00 C ATOM 987 O GLU B 10 92.026 -24.355 35.428 1.00 0.00 O ATOM 988 CB GLU B 10 94.798 -25.084 33.808 1.00 0.00 C ATOM 989 CG GLU B 10 95.282 -26.382 34.452 1.00 0.00 C ATOM 990 CD GLU B 10 96.808 -26.363 34.544 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.340 -25.378 35.029 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.417 -27.337 34.131 1.00 0.00 O ATOM 0 H GLU B 10 92.298 -23.275 33.471 1.00 0.00 H new ATOM 0 HA GLU B 10 93.065 -26.020 32.925 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.324 -24.915 32.868 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.026 -24.238 34.457 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.848 -26.492 35.446 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.952 -27.238 33.863 1.00 0.00 H new ATOM 999 N GLU B 11 92.486 -26.507 35.418 1.00 0.00 N ATOM 1000 CA GLU B 11 91.776 -26.729 36.713 1.00 0.00 C ATOM 1001 C GLU B 11 92.134 -25.622 37.705 1.00 0.00 C ATOM 1002 O GLU B 11 93.104 -24.911 37.537 1.00 0.00 O ATOM 1003 CB GLU B 11 92.191 -28.079 37.299 1.00 0.00 C ATOM 1004 CG GLU B 11 91.561 -29.209 36.483 1.00 0.00 C ATOM 1005 CD GLU B 11 91.995 -30.555 37.064 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.962 -30.571 37.808 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.354 -31.547 36.753 1.00 0.00 O ATOM 0 H GLU B 11 92.902 -27.343 35.007 1.00 0.00 H new ATOM 0 HA GLU B 11 90.701 -26.718 36.532 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.277 -28.172 37.290 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.874 -28.148 38.340 1.00 0.00 H new ATOM 0 HG2 GLU B 11 90.474 -29.125 36.503 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.868 -29.134 35.440 1.00 0.00 H new ATOM 1014 N HIS B 12 91.353 -25.470 38.735 1.00 0.00 N ATOM 1015 CA HIS B 12 91.637 -24.409 39.737 1.00 0.00 C ATOM 1016 C HIS B 12 92.880 -24.786 40.549 1.00 0.00 C ATOM 1017 O HIS B 12 92.801 -25.119 41.713 1.00 0.00 O ATOM 1018 CB HIS B 12 90.431 -24.272 40.660 1.00 0.00 C ATOM 1019 CG HIS B 12 90.736 -23.305 41.768 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.598 -21.933 41.610 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.122 -23.498 43.071 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.887 -21.358 42.797 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.212 -22.270 43.714 1.00 0.00 N ATOM 0 H HIS B 12 90.527 -26.037 38.927 1.00 0.00 H new ATOM 0 HA HIS B 12 91.823 -23.460 39.234 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.567 -23.926 40.093 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.170 -25.245 41.077 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.328 -21.448 40.754 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.324 -24.456 43.526 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.859 -20.294 42.981 1.00 0.00 H new ATOM 1031 N GLU B 13 94.026 -24.731 39.931 1.00 0.00 N ATOM 1032 CA GLU B 13 95.290 -25.079 40.640 1.00 0.00 C ATOM 1033 C GLU B 13 95.778 -23.872 41.448 1.00 0.00 C ATOM 1034 O GLU B 13 95.117 -22.856 41.531 1.00 0.00 O ATOM 1035 CB GLU B 13 96.348 -25.458 39.608 1.00 0.00 C ATOM 1036 CG GLU B 13 95.920 -26.733 38.878 1.00 0.00 C ATOM 1037 CD GLU B 13 96.006 -27.917 39.838 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.959 -27.966 40.599 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.120 -28.756 39.795 1.00 0.00 O ATOM 0 H GLU B 13 94.143 -24.457 38.955 1.00 0.00 H new ATOM 0 HA GLU B 13 95.113 -25.915 41.316 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.481 -24.645 38.894 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.309 -25.613 40.098 1.00 0.00 H new ATOM 0 HG2 GLU B 13 94.902 -26.627 38.503 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.562 -26.904 38.013 1.00 0.00 H new ATOM 1046 N LYS B 14 96.937 -23.977 42.042 1.00 0.00 N ATOM 1047 CA LYS B 14 97.482 -22.842 42.843 1.00 0.00 C ATOM 1048 C LYS B 14 97.830 -21.692 41.893 1.00 0.00 C ATOM 1049 O LYS B 14 97.862 -20.541 42.278 1.00 0.00 O ATOM 1050 CB LYS B 14 98.756 -23.291 43.570 1.00 0.00 C ATOM 1051 CG LYS B 14 98.469 -24.513 44.454 1.00 0.00 C ATOM 1052 CD LYS B 14 97.602 -24.124 45.656 1.00 0.00 C ATOM 1053 CE LYS B 14 97.576 -25.282 46.655 1.00 0.00 C ATOM 1054 NZ LYS B 14 96.953 -26.473 46.010 1.00 0.00 N ATOM 0 H LYS B 14 97.533 -24.804 42.007 1.00 0.00 H new ATOM 0 HA LYS B 14 96.741 -22.518 43.574 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.530 -23.535 42.842 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.140 -22.474 44.182 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.963 -25.280 43.868 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.408 -24.945 44.802 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.000 -23.227 46.131 1.00 0.00 H new ATOM 0 HD3 LYS B 14 96.590 -23.889 45.328 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.589 -25.519 46.982 1.00 0.00 H new ATOM 0 HE3 LYS B 14 97.012 -24.999 47.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 96.685 -27.163 46.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 96.105 -26.179 45.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.633 -26.909 45.355 1.00 0.00 H new ATOM 1068 N TYR B 15 98.094 -21.997 40.654 1.00 0.00 N ATOM 1069 CA TYR B 15 98.450 -20.929 39.680 1.00 0.00 C ATOM 1070 C TYR B 15 97.296 -19.923 39.570 1.00 0.00 C ATOM 1071 O TYR B 15 97.515 -18.745 39.366 1.00 0.00 O ATOM 1072 CB TYR B 15 98.726 -21.558 38.306 1.00 0.00 C ATOM 1073 CG TYR B 15 100.125 -22.137 38.288 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.230 -21.285 38.168 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.320 -23.521 38.401 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.526 -21.813 38.158 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.619 -24.049 38.393 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.722 -23.195 38.271 1.00 0.00 C ATOM 1079 OH TYR B 15 104.001 -23.715 38.265 1.00 0.00 O ATOM 0 H TYR B 15 98.079 -22.943 40.273 1.00 0.00 H new ATOM 0 HA TYR B 15 99.344 -20.409 40.024 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.995 -22.339 38.098 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.621 -20.807 37.523 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.082 -20.219 38.083 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.470 -24.180 38.494 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.376 -21.154 38.063 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.769 -25.115 38.481 1.00 0.00 H new ATOM 0 HH TYR B 15 103.958 -24.690 38.353 1.00 0.00 H new ATOM 1089 N HIS B 16 96.072 -20.366 39.696 1.00 0.00 N ATOM 1090 CA HIS B 16 94.934 -19.406 39.583 1.00 0.00 C ATOM 1091 C HIS B 16 95.065 -18.335 40.670 1.00 0.00 C ATOM 1092 O HIS B 16 94.833 -17.166 40.426 1.00 0.00 O ATOM 1093 CB HIS B 16 93.601 -20.149 39.767 1.00 0.00 C ATOM 1094 CG HIS B 16 93.215 -20.848 38.491 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.925 -21.312 38.264 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.937 -21.172 37.367 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.910 -21.885 37.045 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.109 -21.826 36.460 1.00 0.00 N ATOM 0 H HIS B 16 95.813 -21.337 39.870 1.00 0.00 H new ATOM 0 HA HIS B 16 94.955 -18.941 38.597 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.689 -20.875 40.575 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.820 -19.445 40.055 1.00 0.00 H new ATOM 0 HD1 HIS B 16 91.134 -21.233 38.903 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.983 -20.953 37.212 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.037 -22.336 36.597 1.00 0.00 H new ATOM 1106 N SER B 17 95.449 -18.708 41.861 1.00 0.00 N ATOM 1107 CA SER B 17 95.601 -17.683 42.929 1.00 0.00 C ATOM 1108 C SER B 17 96.669 -16.686 42.485 1.00 0.00 C ATOM 1109 O SER B 17 96.484 -15.487 42.551 1.00 0.00 O ATOM 1110 CB SER B 17 96.032 -18.355 44.234 1.00 0.00 C ATOM 1111 OG SER B 17 97.315 -18.943 44.059 1.00 0.00 O ATOM 0 H SER B 17 95.661 -19.667 42.137 1.00 0.00 H new ATOM 0 HA SER B 17 94.654 -17.171 43.097 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.062 -17.623 45.041 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.307 -19.116 44.521 1.00 0.00 H new ATOM 0 HG SER B 17 97.219 -19.813 43.618 1.00 0.00 H new ATOM 1117 N ASN B 18 97.782 -17.178 42.003 1.00 0.00 N ATOM 1118 CA ASN B 18 98.857 -16.265 41.521 1.00 0.00 C ATOM 1119 C ASN B 18 98.672 -16.053 40.018 1.00 0.00 C ATOM 1120 O ASN B 18 99.352 -16.653 39.210 1.00 0.00 O ATOM 1121 CB ASN B 18 100.223 -16.901 41.779 1.00 0.00 C ATOM 1122 CG ASN B 18 100.475 -16.974 43.285 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.782 -18.025 43.814 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.350 -15.893 44.004 1.00 0.00 N ATOM 0 H ASN B 18 97.991 -18.173 41.923 1.00 0.00 H new ATOM 0 HA ASN B 18 98.802 -15.312 42.047 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.259 -17.900 41.345 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.006 -16.316 41.296 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.510 -15.929 45.011 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.092 -15.012 43.560 1.00 0.00 H new ATOM 1131 N TRP B 19 97.756 -15.208 39.636 1.00 0.00 N ATOM 1132 CA TRP B 19 97.523 -14.967 38.184 1.00 0.00 C ATOM 1133 C TRP B 19 98.710 -14.212 37.589 1.00 0.00 C ATOM 1134 O TRP B 19 98.942 -14.242 36.397 1.00 0.00 O ATOM 1135 CB TRP B 19 96.243 -14.150 37.988 1.00 0.00 C ATOM 1136 CG TRP B 19 96.378 -12.811 38.642 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.928 -12.496 39.881 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.991 -11.600 38.113 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.219 -11.169 40.137 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.875 -10.575 39.081 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.629 -11.294 36.897 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.372 -9.293 38.852 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.133 -10.005 36.665 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.004 -9.006 37.640 1.00 0.00 C ATOM 0 H TRP B 19 97.158 -14.673 40.266 1.00 0.00 H new ATOM 0 HA TRP B 19 97.415 -15.926 37.678 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.043 -14.024 36.924 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.393 -14.685 38.411 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.425 -13.171 40.557 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.977 -10.688 41.003 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.731 -12.055 36.138 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.269 -8.527 39.606 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.623 -9.781 35.729 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.393 -8.016 37.454 1.00 0.00 H new ATOM 1155 N ARG B 20 99.450 -13.514 38.405 1.00 0.00 N ATOM 1156 CA ARG B 20 100.609 -12.740 37.878 1.00 0.00 C ATOM 1157 C ARG B 20 101.624 -13.682 37.226 1.00 0.00 C ATOM 1158 O ARG B 20 102.191 -13.375 36.195 1.00 0.00 O ATOM 1159 CB ARG B 20 101.288 -12.002 39.035 1.00 0.00 C ATOM 1160 CG ARG B 20 100.382 -10.878 39.538 1.00 0.00 C ATOM 1161 CD ARG B 20 101.071 -10.144 40.689 1.00 0.00 C ATOM 1162 NE ARG B 20 100.117 -9.179 41.303 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.365 -8.682 42.482 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.448 -9.035 43.120 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.529 -7.839 43.023 1.00 0.00 N ATOM 0 H ARG B 20 99.303 -13.446 39.412 1.00 0.00 H new ATOM 0 HA ARG B 20 100.251 -12.029 37.134 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.503 -12.698 39.846 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.243 -11.592 38.706 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.164 -10.182 38.728 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.429 -11.287 39.872 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.414 -10.859 41.437 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.953 -9.618 40.323 1.00 0.00 H new ATOM 0 HE ARG B 20 99.271 -8.908 40.802 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.097 -9.698 42.696 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.645 -8.648 44.043 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.682 -7.569 42.523 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.723 -7.450 43.946 1.00 0.00 H new ATOM 1179 N ALA B 21 101.863 -14.823 37.807 1.00 0.00 N ATOM 1180 CA ALA B 21 102.846 -15.767 37.202 1.00 0.00 C ATOM 1181 C ALA B 21 102.346 -16.212 35.828 1.00 0.00 C ATOM 1182 O ALA B 21 103.108 -16.342 34.889 1.00 0.00 O ATOM 1183 CB ALA B 21 103.009 -16.994 38.099 1.00 0.00 C ATOM 0 H ALA B 21 101.424 -15.143 38.670 1.00 0.00 H new ATOM 0 HA ALA B 21 103.807 -15.264 37.100 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.728 -17.679 37.651 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.367 -16.682 39.080 1.00 0.00 H new ATOM 0 HB3 ALA B 21 102.048 -17.496 38.206 1.00 0.00 H new ATOM 1189 N MET B 22 101.071 -16.458 35.708 1.00 0.00 N ATOM 1190 CA MET B 22 100.518 -16.905 34.400 1.00 0.00 C ATOM 1191 C MET B 22 100.718 -15.809 33.350 1.00 0.00 C ATOM 1192 O MET B 22 101.059 -16.079 32.217 1.00 0.00 O ATOM 1193 CB MET B 22 99.024 -17.207 34.568 1.00 0.00 C ATOM 1194 CG MET B 22 98.449 -17.722 33.248 1.00 0.00 C ATOM 1195 SD MET B 22 96.779 -18.368 33.526 1.00 0.00 S ATOM 1196 CE MET B 22 96.024 -16.833 34.115 1.00 0.00 C ATOM 0 H MET B 22 100.388 -16.369 36.460 1.00 0.00 H new ATOM 0 HA MET B 22 101.036 -17.805 34.068 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.880 -17.950 35.353 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.494 -16.307 34.880 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.421 -16.918 32.513 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.090 -18.504 32.841 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.939 -16.917 34.061 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.323 -16.653 35.148 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.355 -16.002 33.492 1.00 0.00 H new ATOM 1206 N ALA B 23 100.526 -14.574 33.719 1.00 0.00 N ATOM 1207 CA ALA B 23 100.721 -13.470 32.736 1.00 0.00 C ATOM 1208 C ALA B 23 102.180 -13.455 32.276 1.00 0.00 C ATOM 1209 O ALA B 23 102.472 -13.353 31.100 1.00 0.00 O ATOM 1210 CB ALA B 23 100.378 -12.132 33.400 1.00 0.00 C ATOM 0 H ALA B 23 100.244 -14.281 34.654 1.00 0.00 H new ATOM 0 HA ALA B 23 100.070 -13.625 31.876 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.520 -11.323 32.683 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.340 -12.146 33.731 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.030 -11.974 34.259 1.00 0.00 H new ATOM 1216 N SER B 24 103.098 -13.552 33.197 1.00 0.00 N ATOM 1217 CA SER B 24 104.539 -13.536 32.817 1.00 0.00 C ATOM 1218 C SER B 24 104.877 -14.769 31.981 1.00 0.00 C ATOM 1219 O SER B 24 105.628 -14.698 31.028 1.00 0.00 O ATOM 1220 CB SER B 24 105.402 -13.530 34.078 1.00 0.00 C ATOM 1221 OG SER B 24 105.222 -12.298 34.763 1.00 0.00 O ATOM 0 H SER B 24 102.913 -13.642 34.196 1.00 0.00 H new ATOM 0 HA SER B 24 104.738 -12.639 32.230 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.127 -14.363 34.725 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.451 -13.664 33.815 1.00 0.00 H new ATOM 0 HG SER B 24 105.773 -12.291 35.574 1.00 0.00 H new ATOM 1227 N ASP B 25 104.335 -15.899 32.332 1.00 0.00 N ATOM 1228 CA ASP B 25 104.630 -17.142 31.565 1.00 0.00 C ATOM 1229 C ASP B 25 104.153 -16.988 30.116 1.00 0.00 C ATOM 1230 O ASP B 25 104.810 -17.422 29.190 1.00 0.00 O ATOM 1231 CB ASP B 25 103.924 -18.331 32.222 1.00 0.00 C ATOM 1232 CG ASP B 25 104.608 -18.660 33.553 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.827 -18.722 33.572 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.901 -18.844 34.530 1.00 0.00 O ATOM 0 H ASP B 25 103.698 -16.017 33.120 1.00 0.00 H new ATOM 0 HA ASP B 25 105.706 -17.317 31.566 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.873 -18.096 32.389 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.956 -19.197 31.561 1.00 0.00 H new ATOM 1239 N PHE B 26 103.010 -16.381 29.912 1.00 0.00 N ATOM 1240 CA PHE B 26 102.481 -16.202 28.522 1.00 0.00 C ATOM 1241 C PHE B 26 102.786 -14.783 28.033 1.00 0.00 C ATOM 1242 O PHE B 26 102.441 -14.413 26.929 1.00 0.00 O ATOM 1243 CB PHE B 26 100.966 -16.425 28.518 1.00 0.00 C ATOM 1244 CG PHE B 26 100.665 -17.902 28.635 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.521 -18.494 29.896 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.521 -18.678 27.479 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.235 -19.861 30.000 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.236 -20.045 27.583 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.093 -20.636 28.843 1.00 0.00 C ATOM 0 H PHE B 26 102.418 -16.000 30.650 1.00 0.00 H new ATOM 0 HA PHE B 26 102.958 -16.924 27.860 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.508 -15.884 29.346 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.533 -16.028 27.600 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.631 -17.896 30.789 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.630 -18.222 26.506 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.124 -20.317 30.973 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.127 -20.643 26.690 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.873 -21.690 28.923 1.00 0.00 H new ATOM 1259 N ASN B 27 103.436 -13.989 28.844 1.00 0.00 N ATOM 1260 CA ASN B 27 103.777 -12.596 28.428 1.00 0.00 C ATOM 1261 C ASN B 27 102.513 -11.842 27.999 1.00 0.00 C ATOM 1262 O ASN B 27 102.492 -11.190 26.974 1.00 0.00 O ATOM 1263 CB ASN B 27 104.776 -12.630 27.263 1.00 0.00 C ATOM 1264 CG ASN B 27 106.079 -13.288 27.726 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.628 -12.923 28.746 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.609 -14.240 27.007 1.00 0.00 N ATOM 0 H ASN B 27 103.747 -14.247 29.781 1.00 0.00 H new ATOM 0 HA ASN B 27 104.226 -12.079 29.276 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.354 -13.184 26.425 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.973 -11.618 26.909 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.483 -14.676 27.302 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.149 -14.548 26.150 1.00 0.00 H new ATOM 1273 N LEU B 28 101.464 -11.916 28.784 1.00 0.00 N ATOM 1274 CA LEU B 28 100.191 -11.195 28.444 1.00 0.00 C ATOM 1275 C LEU B 28 99.884 -10.203 29.570 1.00 0.00 C ATOM 1276 O LEU B 28 100.242 -10.438 30.708 1.00 0.00 O ATOM 1277 CB LEU B 28 99.038 -12.206 28.361 1.00 0.00 C ATOM 1278 CG LEU B 28 99.211 -13.126 27.139 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.389 -14.403 27.338 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.717 -12.419 25.868 1.00 0.00 C ATOM 0 H LEU B 28 101.433 -12.449 29.653 1.00 0.00 H new ATOM 0 HA LEU B 28 100.300 -10.679 27.490 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.005 -12.804 29.272 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.087 -11.677 28.293 1.00 0.00 H new ATOM 0 HG LEU B 28 100.268 -13.370 27.034 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.512 -15.054 26.472 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.733 -14.921 28.233 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.336 -14.144 27.450 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.845 -13.080 25.011 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.662 -12.167 25.978 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.293 -11.507 25.712 1.00 0.00 H new ATOM 1292 N PRO B 29 99.223 -9.106 29.280 1.00 0.00 N ATOM 1293 CA PRO B 29 98.883 -8.100 30.327 1.00 0.00 C ATOM 1294 C PRO B 29 97.814 -8.641 31.295 1.00 0.00 C ATOM 1295 O PRO B 29 97.016 -9.480 30.927 1.00 0.00 O ATOM 1296 CB PRO B 29 98.347 -6.902 29.527 1.00 0.00 C ATOM 1297 CG PRO B 29 97.841 -7.488 28.247 1.00 0.00 C ATOM 1298 CD PRO B 29 98.734 -8.697 27.949 1.00 0.00 C ATOM 0 HA PRO B 29 99.739 -7.841 30.951 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.552 -6.390 30.068 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.131 -6.168 29.342 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.798 -7.789 28.342 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.890 -6.759 27.438 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.176 -9.498 27.464 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.556 -8.433 27.284 1.00 0.00 H new ATOM 1306 N PRO B 30 97.791 -8.177 32.522 1.00 0.00 N ATOM 1307 CA PRO B 30 96.795 -8.649 33.526 1.00 0.00 C ATOM 1308 C PRO B 30 95.381 -8.778 32.935 1.00 0.00 C ATOM 1309 O PRO B 30 94.515 -9.403 33.509 1.00 0.00 O ATOM 1310 CB PRO B 30 96.825 -7.556 34.602 1.00 0.00 C ATOM 1311 CG PRO B 30 98.204 -6.972 34.538 1.00 0.00 C ATOM 1312 CD PRO B 30 98.699 -7.158 33.094 1.00 0.00 C ATOM 0 HA PRO B 30 97.039 -9.643 33.901 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.067 -6.796 34.411 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.619 -7.971 35.589 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.190 -5.916 34.809 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.869 -7.473 35.242 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.651 -6.224 32.534 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.736 -7.492 33.069 1.00 0.00 H new ATOM 1320 N VAL B 31 95.137 -8.168 31.811 1.00 0.00 N ATOM 1321 CA VAL B 31 93.771 -8.227 31.208 1.00 0.00 C ATOM 1322 C VAL B 31 93.362 -9.668 30.907 1.00 0.00 C ATOM 1323 O VAL B 31 92.318 -10.124 31.333 1.00 0.00 O ATOM 1324 CB VAL B 31 93.779 -7.429 29.902 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.423 -7.545 29.202 1.00 0.00 C ATOM 1326 CG2 VAL B 31 94.076 -5.960 30.203 1.00 0.00 C ATOM 0 H VAL B 31 95.822 -7.630 31.281 1.00 0.00 H new ATOM 0 HA VAL B 31 93.057 -7.808 31.917 1.00 0.00 H new ATOM 0 HB VAL B 31 94.551 -7.832 29.246 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.442 -6.973 28.274 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.217 -8.592 28.978 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.642 -7.153 29.854 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.082 -5.392 29.273 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.308 -5.562 30.867 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.050 -5.877 30.685 1.00 0.00 H new ATOM 1336 N VAL B 32 94.160 -10.382 30.173 1.00 0.00 N ATOM 1337 CA VAL B 32 93.794 -11.787 29.845 1.00 0.00 C ATOM 1338 C VAL B 32 93.853 -12.626 31.121 1.00 0.00 C ATOM 1339 O VAL B 32 93.008 -13.463 31.368 1.00 0.00 O ATOM 1340 CB VAL B 32 94.773 -12.342 28.806 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.561 -13.853 28.642 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.533 -11.642 27.465 1.00 0.00 C ATOM 0 H VAL B 32 95.047 -10.059 29.786 1.00 0.00 H new ATOM 0 HA VAL B 32 92.785 -11.823 29.433 1.00 0.00 H new ATOM 0 HB VAL B 32 95.795 -12.161 29.139 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.261 -14.240 27.902 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.731 -14.350 29.597 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.540 -14.043 28.311 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.227 -12.033 26.721 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.509 -11.824 27.137 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.691 -10.570 27.581 1.00 0.00 H new ATOM 1352 N ALA B 33 94.846 -12.401 31.933 1.00 0.00 N ATOM 1353 CA ALA B 33 94.968 -13.178 33.197 1.00 0.00 C ATOM 1354 C ALA B 33 93.758 -12.903 34.099 1.00 0.00 C ATOM 1355 O ALA B 33 93.159 -13.815 34.633 1.00 0.00 O ATOM 1356 CB ALA B 33 96.256 -12.778 33.920 1.00 0.00 C ATOM 0 H ALA B 33 95.580 -11.711 31.776 1.00 0.00 H new ATOM 0 HA ALA B 33 95.000 -14.242 32.963 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.345 -13.347 34.845 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.113 -12.989 33.280 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.228 -11.713 34.150 1.00 0.00 H new ATOM 1362 N LYS B 34 93.388 -11.658 34.276 1.00 0.00 N ATOM 1363 CA LYS B 34 92.214 -11.360 35.146 1.00 0.00 C ATOM 1364 C LYS B 34 90.946 -11.983 34.556 1.00 0.00 C ATOM 1365 O LYS B 34 90.110 -12.497 35.273 1.00 0.00 O ATOM 1366 CB LYS B 34 92.040 -9.845 35.302 1.00 0.00 C ATOM 1367 CG LYS B 34 93.139 -9.297 36.223 1.00 0.00 C ATOM 1368 CD LYS B 34 92.965 -7.783 36.380 1.00 0.00 C ATOM 1369 CE LYS B 34 94.038 -7.223 37.327 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.622 -7.438 38.741 1.00 0.00 N ATOM 0 H LYS B 34 93.844 -10.846 33.860 1.00 0.00 H new ATOM 0 HA LYS B 34 92.389 -11.793 36.131 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.092 -9.360 34.327 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.057 -9.622 35.717 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.088 -9.783 37.197 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.122 -9.520 35.807 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.039 -7.298 35.407 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.972 -7.562 36.772 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.993 -7.714 37.140 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.184 -6.159 37.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.350 -7.058 39.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.720 -6.950 38.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.505 -8.456 38.917 1.00 0.00 H new ATOM 1384 N GLU B 35 90.782 -11.934 33.262 1.00 0.00 N ATOM 1385 CA GLU B 35 89.551 -12.522 32.653 1.00 0.00 C ATOM 1386 C GLU B 35 89.478 -14.017 32.973 1.00 0.00 C ATOM 1387 O GLU B 35 88.427 -14.543 33.276 1.00 0.00 O ATOM 1388 CB GLU B 35 89.574 -12.323 31.136 1.00 0.00 C ATOM 1389 CG GLU B 35 88.224 -12.740 30.527 1.00 0.00 C ATOM 1390 CD GLU B 35 88.150 -14.265 30.381 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.175 -14.911 30.522 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.063 -14.760 30.128 1.00 0.00 O ATOM 0 H GLU B 35 91.440 -11.517 32.604 1.00 0.00 H new ATOM 0 HA GLU B 35 88.676 -12.021 33.067 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.780 -11.279 30.902 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.378 -12.913 30.696 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.409 -12.389 31.160 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.097 -12.269 29.552 1.00 0.00 H new ATOM 1399 N ILE B 36 90.583 -14.709 32.922 1.00 0.00 N ATOM 1400 CA ILE B 36 90.557 -16.163 33.239 1.00 0.00 C ATOM 1401 C ILE B 36 90.115 -16.324 34.694 1.00 0.00 C ATOM 1402 O ILE B 36 89.350 -17.206 35.034 1.00 0.00 O ATOM 1403 CB ILE B 36 91.949 -16.757 33.037 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.309 -16.706 31.547 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.963 -18.211 33.517 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.806 -16.975 31.367 1.00 0.00 C ATOM 0 H ILE B 36 91.498 -14.332 32.676 1.00 0.00 H new ATOM 0 HA ILE B 36 89.863 -16.686 32.582 1.00 0.00 H new ATOM 0 HB ILE B 36 92.677 -16.182 33.610 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.728 -17.447 30.997 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.053 -15.730 31.135 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.958 -18.633 33.372 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.705 -18.247 34.575 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.237 -18.790 32.946 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.057 -16.938 30.307 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.379 -16.218 31.903 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.049 -17.961 31.763 1.00 0.00 H new ATOM 1418 N VAL B 37 90.597 -15.469 35.551 1.00 0.00 N ATOM 1419 CA VAL B 37 90.217 -15.540 36.988 1.00 0.00 C ATOM 1420 C VAL B 37 88.723 -15.240 37.131 1.00 0.00 C ATOM 1421 O VAL B 37 88.029 -15.849 37.918 1.00 0.00 O ATOM 1422 CB VAL B 37 91.031 -14.510 37.780 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.481 -14.394 39.205 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.495 -14.958 37.829 1.00 0.00 C ATOM 0 H VAL B 37 91.244 -14.717 35.315 1.00 0.00 H new ATOM 0 HA VAL B 37 90.424 -16.538 37.376 1.00 0.00 H new ATOM 0 HB VAL B 37 90.959 -13.538 37.292 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.064 -13.660 39.762 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.439 -14.077 39.168 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.548 -15.362 39.701 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.080 -14.230 38.391 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.562 -15.931 38.316 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.887 -15.033 36.815 1.00 0.00 H new ATOM 1434 N ALA B 38 88.232 -14.296 36.384 1.00 0.00 N ATOM 1435 CA ALA B 38 86.789 -13.942 36.483 1.00 0.00 C ATOM 1436 C ALA B 38 85.929 -15.088 35.949 1.00 0.00 C ATOM 1437 O ALA B 38 84.807 -15.281 36.373 1.00 0.00 O ATOM 1438 CB ALA B 38 86.512 -12.682 35.666 1.00 0.00 C ATOM 0 H ALA B 38 88.767 -13.752 35.707 1.00 0.00 H new ATOM 0 HA ALA B 38 86.541 -13.764 37.529 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.455 -12.425 35.740 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.113 -11.859 36.052 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.769 -12.861 34.622 1.00 0.00 H new ATOM 1444 N SER B 39 86.435 -15.842 35.016 1.00 0.00 N ATOM 1445 CA SER B 39 85.633 -16.963 34.455 1.00 0.00 C ATOM 1446 C SER B 39 85.559 -18.095 35.479 1.00 0.00 C ATOM 1447 O SER B 39 84.567 -18.790 35.577 1.00 0.00 O ATOM 1448 CB SER B 39 86.295 -17.477 33.176 1.00 0.00 C ATOM 1449 OG SER B 39 86.285 -16.449 32.193 1.00 0.00 O ATOM 0 H SER B 39 87.368 -15.731 34.618 1.00 0.00 H new ATOM 0 HA SER B 39 84.627 -16.611 34.226 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.319 -17.788 33.383 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.764 -18.354 32.806 1.00 0.00 H new ATOM 0 HG SER B 39 86.953 -15.770 32.423 1.00 0.00 H new ATOM 1455 N CYS B 40 86.595 -18.284 36.248 1.00 0.00 N ATOM 1456 CA CYS B 40 86.570 -19.372 37.268 1.00 0.00 C ATOM 1457 C CYS B 40 85.694 -18.938 38.448 1.00 0.00 C ATOM 1458 O CYS B 40 86.033 -18.031 39.184 1.00 0.00 O ATOM 1459 CB CYS B 40 87.991 -19.657 37.764 1.00 0.00 C ATOM 1460 SG CYS B 40 87.975 -21.125 38.822 1.00 0.00 S ATOM 0 H CYS B 40 87.454 -17.736 36.216 1.00 0.00 H new ATOM 0 HA CYS B 40 86.162 -20.277 36.819 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.659 -19.813 36.917 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.373 -18.800 38.318 1.00 0.00 H new ATOM 0 HG CYS B 40 89.175 -21.619 38.897 1.00 0.00 H new ATOM 1465 N ASP B 41 84.570 -19.578 38.630 1.00 0.00 N ATOM 1466 CA ASP B 41 83.662 -19.207 39.758 1.00 0.00 C ATOM 1467 C ASP B 41 84.374 -19.394 41.100 1.00 0.00 C ATOM 1468 O ASP B 41 84.218 -18.605 42.011 1.00 0.00 O ATOM 1469 CB ASP B 41 82.420 -20.103 39.721 1.00 0.00 C ATOM 1470 CG ASP B 41 81.558 -19.732 38.514 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.893 -20.156 37.418 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.585 -19.023 38.703 1.00 0.00 O ATOM 0 H ASP B 41 84.239 -20.345 38.045 1.00 0.00 H new ATOM 0 HA ASP B 41 83.375 -18.161 39.651 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.716 -21.150 39.661 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.847 -19.986 40.640 1.00 0.00 H new ATOM 1477 N LYS B 42 85.137 -20.441 41.237 1.00 0.00 N ATOM 1478 CA LYS B 42 85.841 -20.688 42.530 1.00 0.00 C ATOM 1479 C LYS B 42 86.776 -19.520 42.854 1.00 0.00 C ATOM 1480 O LYS B 42 86.871 -19.087 43.986 1.00 0.00 O ATOM 1481 CB LYS B 42 86.667 -21.969 42.415 1.00 0.00 C ATOM 1482 CG LYS B 42 85.733 -23.176 42.319 1.00 0.00 C ATOM 1483 CD LYS B 42 86.563 -24.456 42.205 1.00 0.00 C ATOM 1484 CE LYS B 42 85.629 -25.662 42.091 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.890 -25.840 43.370 1.00 0.00 N ATOM 0 H LYS B 42 85.305 -21.138 40.511 1.00 0.00 H new ATOM 0 HA LYS B 42 85.101 -20.786 43.324 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.308 -21.922 41.535 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.321 -22.071 43.281 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.091 -23.223 43.199 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.079 -23.075 41.453 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.214 -24.403 41.332 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.207 -24.563 43.078 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.927 -25.515 41.270 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.203 -26.560 41.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.484 -26.797 43.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.543 -25.711 44.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.126 -25.137 43.430 1.00 0.00 H new ATOM 1499 N CYS B 43 87.475 -19.006 41.875 1.00 0.00 N ATOM 1500 CA CYS B 43 88.403 -17.869 42.145 1.00 0.00 C ATOM 1501 C CYS B 43 87.605 -16.568 42.265 1.00 0.00 C ATOM 1502 O CYS B 43 88.007 -15.638 42.936 1.00 0.00 O ATOM 1503 CB CYS B 43 89.398 -17.702 40.992 1.00 0.00 C ATOM 1504 SG CYS B 43 90.235 -19.262 40.645 1.00 0.00 S ATOM 0 H CYS B 43 87.443 -19.323 40.906 1.00 0.00 H new ATOM 0 HA CYS B 43 88.937 -18.082 43.071 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.875 -17.357 40.100 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.132 -16.938 41.246 1.00 0.00 H new ATOM 0 HG CYS B 43 89.447 -20.033 39.956 1.00 0.00 H new ATOM 1509 N GLN B 44 86.500 -16.479 41.576 1.00 0.00 N ATOM 1510 CA GLN B 44 85.697 -15.222 41.597 1.00 0.00 C ATOM 1511 C GLN B 44 84.851 -15.119 42.869 1.00 0.00 C ATOM 1512 O GLN B 44 85.099 -14.288 43.719 1.00 0.00 O ATOM 1513 CB GLN B 44 84.778 -15.210 40.373 1.00 0.00 C ATOM 1514 CG GLN B 44 84.047 -13.870 40.279 1.00 0.00 C ATOM 1515 CD GLN B 44 83.225 -13.835 38.988 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.797 -13.481 37.868 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.049 -14.135 38.997 1.00 0.00 N flip ATOM 0 H GLN B 44 86.117 -17.226 40.997 1.00 0.00 H new ATOM 0 HA GLN B 44 86.378 -14.371 41.578 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.362 -15.379 39.468 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.056 -16.023 40.443 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.396 -13.736 41.143 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.764 -13.049 40.290 1.00 0.00 H new ATOM 0 HE21 GLN B 44 81.600 -14.412 39.870 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.510 -14.110 38.132 1.00 0.00 H new