USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -1.54 X(o=-5,f=-5.2!) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.45! X(o=-5!,f=-5.2) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -3.49! C(o=-1.8!,f=-3.9!) USER MOD Set 2.2: B 16 HIS : no HE2:sc= 0.0015 X(o=-1.8,f=-2.1) USER MOD Set 2.3: B 40 CYS SG : rot -144:sc= 1.01 USER MOD Set 2.4: B 43 CYS SG : rot 137:sc= 0.638 USER MOD Set 3.1: A 12 HIS : no HE2:sc= -3.53! C(o=-2!,f=-4!) USER MOD Set 3.2: A 16 HIS : no HE2:sc= 0.011 X(o=-2,f=-2.2) USER MOD Set 3.3: A 40 CYS SG : rot -142:sc= 0.893 USER MOD Set 3.4: A 43 CYS SG : rot 140:sc= 0.659 USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.526 (180deg=0.153) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -1.18 (180deg=-1.54) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -175:sc= -3.18! USER MOD Single : A 18 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 22 MET CE :methyl 154:sc= -0.132 (180deg=-1.45!) USER MOD Single : A 24 SER OG : rot 83:sc= 0.24 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 70:sc= 0.0145 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 0.539 (180deg=0.142) USER MOD Single : B 7 LYS NZ :NH3+ 164:sc= -0.932 (180deg=-1.16) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -99:sc= -2.47! USER MOD Single : B 18 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : B 22 MET CE :methyl 154:sc= -0.129 (180deg=-1.57!) USER MOD Single : B 24 SER OG : rot 82:sc= 0.308 USER MOD Single : B 27 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 69:sc= 0.0208 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.162 -3.848 23.604 1.00 0.00 N ATOM 2 CA PHE A 1 94.516 -4.382 24.838 1.00 0.00 C ATOM 3 C PHE A 1 94.093 -3.231 25.763 1.00 0.00 C ATOM 4 O PHE A 1 92.928 -2.954 25.928 1.00 0.00 O ATOM 5 CB PHE A 1 95.512 -5.269 25.595 1.00 0.00 C ATOM 6 CG PHE A 1 95.686 -6.589 24.873 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.637 -6.698 23.853 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.909 -7.702 25.230 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.821 -7.921 23.186 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.091 -8.926 24.561 1.00 0.00 C ATOM 11 CZ PHE A 1 96.046 -9.037 23.538 1.00 0.00 C ATOM 0 H1 PHE A 1 95.850 -4.541 23.245 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.436 -3.673 22.880 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.651 -2.957 23.826 1.00 0.00 H new ATOM 0 HA PHE A 1 93.638 -4.958 24.546 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.473 -4.761 25.678 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.156 -5.445 26.610 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.232 -5.840 23.577 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.173 -7.619 26.016 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.559 -8.002 22.402 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.494 -9.783 24.835 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.184 -9.977 23.024 1.00 0.00 H new ATOM 23 N LEU A 2 95.046 -2.589 26.405 1.00 0.00 N ATOM 24 CA LEU A 2 94.708 -1.488 27.363 1.00 0.00 C ATOM 25 C LEU A 2 94.196 -0.252 26.626 1.00 0.00 C ATOM 26 O LEU A 2 93.388 0.489 27.144 1.00 0.00 O ATOM 27 CB LEU A 2 95.957 -1.099 28.161 1.00 0.00 C ATOM 28 CG LEU A 2 96.596 -2.354 28.769 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.822 -1.960 29.600 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.578 -3.088 29.655 1.00 0.00 C ATOM 0 H LEU A 2 96.043 -2.782 26.305 1.00 0.00 H new ATOM 0 HA LEU A 2 93.926 -1.852 28.029 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.672 -0.594 27.512 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.691 -0.396 28.950 1.00 0.00 H new ATOM 0 HG LEU A 2 96.907 -3.020 27.964 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.273 -2.854 30.030 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.549 -1.459 28.961 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.517 -1.286 30.401 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.042 -3.977 30.082 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.252 -2.428 30.459 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.717 -3.381 29.054 1.00 0.00 H new ATOM 42 N ASP A 3 94.677 0.001 25.444 1.00 0.00 N ATOM 43 CA ASP A 3 94.225 1.223 24.719 1.00 0.00 C ATOM 44 C ASP A 3 92.726 1.143 24.411 1.00 0.00 C ATOM 45 O ASP A 3 91.972 2.053 24.712 1.00 0.00 O ATOM 46 CB ASP A 3 95.002 1.355 23.407 1.00 0.00 C ATOM 47 CG ASP A 3 94.694 2.708 22.761 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.736 3.335 23.180 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.416 3.086 21.859 1.00 0.00 O ATOM 0 H ASP A 3 95.357 -0.577 24.950 1.00 0.00 H new ATOM 0 HA ASP A 3 94.410 2.091 25.351 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.072 1.266 23.596 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.730 0.546 22.729 1.00 0.00 H new ATOM 54 N GLY A 4 92.290 0.070 23.819 1.00 0.00 N ATOM 55 CA GLY A 4 90.844 -0.060 23.494 1.00 0.00 C ATOM 56 C GLY A 4 90.034 -0.148 24.789 1.00 0.00 C ATOM 57 O GLY A 4 88.994 0.455 24.924 1.00 0.00 O ATOM 0 H GLY A 4 92.871 -0.723 23.546 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.515 0.796 22.904 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.676 -0.949 22.887 1.00 0.00 H new ATOM 61 N ILE A 5 90.507 -0.910 25.738 1.00 0.00 N ATOM 62 CA ILE A 5 89.761 -1.060 27.017 1.00 0.00 C ATOM 63 C ILE A 5 89.594 0.297 27.695 1.00 0.00 C ATOM 64 O ILE A 5 88.560 0.577 28.258 1.00 0.00 O ATOM 65 CB ILE A 5 90.509 -2.018 27.937 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.464 -3.423 27.320 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.844 -2.034 29.318 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.516 -4.321 27.971 1.00 0.00 C ATOM 0 H ILE A 5 91.379 -1.435 25.681 1.00 0.00 H new ATOM 0 HA ILE A 5 88.771 -1.465 26.806 1.00 0.00 H new ATOM 0 HB ILE A 5 91.544 -1.696 28.050 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.473 -3.856 27.455 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.642 -3.362 26.246 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.382 -2.720 29.973 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.868 -1.031 29.745 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.809 -2.362 29.220 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.473 -5.314 27.524 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.507 -3.894 27.813 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.319 -4.395 29.041 1.00 0.00 H new ATOM 80 N ASP A 6 90.596 1.130 27.668 1.00 0.00 N ATOM 81 CA ASP A 6 90.457 2.454 28.338 1.00 0.00 C ATOM 82 C ASP A 6 89.243 3.176 27.760 1.00 0.00 C ATOM 83 O ASP A 6 88.420 3.709 28.489 1.00 0.00 O ATOM 84 CB ASP A 6 91.710 3.295 28.082 1.00 0.00 C ATOM 85 CG ASP A 6 92.910 2.663 28.786 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.704 1.755 29.565 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.020 3.098 28.518 1.00 0.00 O ATOM 0 H ASP A 6 91.494 0.956 27.218 1.00 0.00 H new ATOM 0 HA ASP A 6 90.332 2.309 29.411 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.900 3.364 27.011 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.557 4.311 28.445 1.00 0.00 H new ATOM 92 N LYS A 7 89.096 3.189 26.461 1.00 0.00 N ATOM 93 CA LYS A 7 87.905 3.873 25.866 1.00 0.00 C ATOM 94 C LYS A 7 86.644 3.063 26.186 1.00 0.00 C ATOM 95 O LYS A 7 85.593 3.605 26.476 1.00 0.00 O ATOM 96 CB LYS A 7 88.069 3.993 24.348 1.00 0.00 C ATOM 97 CG LYS A 7 89.317 4.821 24.020 1.00 0.00 C ATOM 98 CD LYS A 7 89.366 5.096 22.514 1.00 0.00 C ATOM 99 CE LYS A 7 90.677 5.819 22.162 1.00 0.00 C ATOM 100 NZ LYS A 7 91.824 4.885 22.345 1.00 0.00 N ATOM 0 H LYS A 7 89.738 2.763 25.793 1.00 0.00 H new ATOM 0 HA LYS A 7 87.817 4.873 26.290 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.153 3.001 23.903 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.186 4.463 23.914 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.298 5.761 24.572 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.214 4.286 24.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.296 4.159 21.961 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.512 5.706 22.218 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.644 6.174 21.132 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.803 6.696 22.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.648 5.240 21.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.060 4.819 23.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.565 3.943 21.988 1.00 0.00 H new ATOM 114 N ALA A 8 86.748 1.766 26.122 1.00 0.00 N ATOM 115 CA ALA A 8 85.572 0.903 26.413 1.00 0.00 C ATOM 116 C ALA A 8 85.220 1.005 27.893 1.00 0.00 C ATOM 117 O ALA A 8 84.066 1.006 28.272 1.00 0.00 O ATOM 118 CB ALA A 8 85.909 -0.552 26.068 1.00 0.00 C ATOM 0 H ALA A 8 87.602 1.264 25.879 1.00 0.00 H new ATOM 0 HA ALA A 8 84.723 1.232 25.814 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.048 -1.185 26.281 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.161 -0.626 25.010 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.758 -0.881 26.667 1.00 0.00 H new ATOM 124 N GLN A 9 86.213 1.074 28.742 1.00 0.00 N ATOM 125 CA GLN A 9 85.928 1.152 30.197 1.00 0.00 C ATOM 126 C GLN A 9 85.062 2.377 30.491 1.00 0.00 C ATOM 127 O GLN A 9 84.149 2.324 31.292 1.00 0.00 O ATOM 128 CB GLN A 9 87.239 1.260 30.975 1.00 0.00 C ATOM 129 CG GLN A 9 86.947 1.087 32.467 1.00 0.00 C ATOM 130 CD GLN A 9 88.240 1.233 33.275 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.325 1.226 32.720 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.169 1.371 34.571 1.00 0.00 N ATOM 0 H GLN A 9 87.201 1.079 28.488 1.00 0.00 H new ATOM 0 HA GLN A 9 85.397 0.251 30.503 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.941 0.498 30.638 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.707 2.227 30.792 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.220 1.831 32.792 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.504 0.108 32.648 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.260 1.377 35.034 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.022 1.473 35.120 1.00 0.00 H new ATOM 141 N GLU A 10 85.328 3.476 29.847 1.00 0.00 N ATOM 142 CA GLU A 10 84.510 4.696 30.094 1.00 0.00 C ATOM 143 C GLU A 10 83.058 4.443 29.679 1.00 0.00 C ATOM 144 O GLU A 10 82.135 4.843 30.361 1.00 0.00 O ATOM 145 CB GLU A 10 85.086 5.854 29.278 1.00 0.00 C ATOM 146 CG GLU A 10 84.467 7.179 29.737 1.00 0.00 C ATOM 147 CD GLU A 10 85.020 8.321 28.881 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.897 8.059 28.070 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.565 9.441 29.049 1.00 0.00 O ATOM 0 H GLU A 10 86.075 3.584 29.161 1.00 0.00 H new ATOM 0 HA GLU A 10 84.535 4.944 31.155 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.169 5.889 29.396 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.886 5.698 28.218 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.381 7.136 29.649 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.694 7.355 30.788 1.00 0.00 H new ATOM 156 N GLU A 11 82.846 3.779 28.575 1.00 0.00 N ATOM 157 CA GLU A 11 81.449 3.498 28.136 1.00 0.00 C ATOM 158 C GLU A 11 80.748 2.660 29.197 1.00 0.00 C ATOM 159 O GLU A 11 79.610 2.899 29.547 1.00 0.00 O ATOM 160 CB GLU A 11 81.481 2.724 26.815 1.00 0.00 C ATOM 161 CG GLU A 11 80.053 2.585 26.262 1.00 0.00 C ATOM 162 CD GLU A 11 79.311 1.466 27.005 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.966 0.663 27.644 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.093 1.430 26.914 1.00 0.00 O ATOM 0 H GLU A 11 83.577 3.420 27.960 1.00 0.00 H new ATOM 0 HA GLU A 11 80.911 4.436 27.997 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.112 3.243 26.093 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.919 1.738 26.970 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.516 3.527 26.376 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.087 2.365 25.195 1.00 0.00 H new ATOM 171 N HIS A 12 81.419 1.669 29.708 1.00 0.00 N ATOM 172 CA HIS A 12 80.787 0.816 30.739 1.00 0.00 C ATOM 173 C HIS A 12 80.419 1.656 31.970 1.00 0.00 C ATOM 174 O HIS A 12 79.356 1.502 32.547 1.00 0.00 O ATOM 175 CB HIS A 12 81.747 -0.307 31.141 1.00 0.00 C ATOM 176 CG HIS A 12 81.055 -1.158 32.165 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.589 -2.447 31.871 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.619 -0.869 33.428 1.00 0.00 C ATOM 179 CE1 HIS A 12 79.884 -2.871 32.940 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.885 -1.943 33.889 1.00 0.00 N ATOM 0 H HIS A 12 82.374 1.416 29.455 1.00 0.00 H new ATOM 0 HA HIS A 12 79.877 0.380 30.328 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.022 -0.904 30.271 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.669 0.107 31.549 1.00 0.00 H new ATOM 0 HD1 HIS A 12 80.753 -2.967 31.009 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.815 0.043 33.972 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.390 -3.828 33.013 1.00 0.00 H new ATOM 188 N GLU A 13 81.279 2.534 32.392 1.00 0.00 N ATOM 189 CA GLU A 13 80.962 3.356 33.590 1.00 0.00 C ATOM 190 C GLU A 13 79.709 4.202 33.346 1.00 0.00 C ATOM 191 O GLU A 13 78.863 4.341 34.210 1.00 0.00 O ATOM 192 CB GLU A 13 82.145 4.277 33.898 1.00 0.00 C ATOM 193 CG GLU A 13 81.920 4.968 35.248 1.00 0.00 C ATOM 194 CD GLU A 13 82.085 3.951 36.377 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.429 2.815 36.078 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.877 4.323 37.515 1.00 0.00 O ATOM 0 H GLU A 13 82.185 2.719 31.962 1.00 0.00 H new ATOM 0 HA GLU A 13 80.776 2.691 34.434 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.070 3.702 33.922 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.254 5.022 33.110 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.631 5.784 35.373 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.923 5.406 35.282 1.00 0.00 H new ATOM 203 N LYS A 14 79.608 4.784 32.188 1.00 0.00 N ATOM 204 CA LYS A 14 78.439 5.652 31.866 1.00 0.00 C ATOM 205 C LYS A 14 77.119 4.874 31.862 1.00 0.00 C ATOM 206 O LYS A 14 76.097 5.400 32.258 1.00 0.00 O ATOM 207 CB LYS A 14 78.642 6.292 30.483 1.00 0.00 C ATOM 208 CG LYS A 14 79.818 7.272 30.552 1.00 0.00 C ATOM 209 CD LYS A 14 79.945 8.053 29.236 1.00 0.00 C ATOM 210 CE LYS A 14 80.587 7.181 28.158 1.00 0.00 C ATOM 211 NZ LYS A 14 81.038 8.048 27.034 1.00 0.00 N ATOM 0 H LYS A 14 80.294 4.696 31.438 1.00 0.00 H new ATOM 0 HA LYS A 14 78.377 6.414 32.643 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.838 5.522 29.737 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.736 6.813 30.173 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.673 7.965 31.381 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.742 6.728 30.749 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.960 8.384 28.906 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.546 8.948 29.394 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.433 6.633 28.573 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.872 6.441 27.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 81.476 7.460 26.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.221 8.552 26.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.733 8.738 27.385 1.00 0.00 H new ATOM 225 N TYR A 15 77.103 3.659 31.365 1.00 0.00 N ATOM 226 CA TYR A 15 75.797 2.910 31.284 1.00 0.00 C ATOM 227 C TYR A 15 75.883 1.478 31.836 1.00 0.00 C ATOM 228 O TYR A 15 74.903 0.758 31.822 1.00 0.00 O ATOM 229 CB TYR A 15 75.386 2.865 29.814 1.00 0.00 C ATOM 230 CG TYR A 15 75.509 4.255 29.232 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.474 5.182 29.431 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.652 4.635 28.499 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.568 6.477 28.900 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.740 5.933 27.971 1.00 0.00 C ATOM 235 CZ TYR A 15 75.700 6.851 28.170 1.00 0.00 C ATOM 236 OH TYR A 15 75.793 8.123 27.654 1.00 0.00 O ATOM 0 H TYR A 15 77.919 3.157 31.016 1.00 0.00 H new ATOM 0 HA TYR A 15 75.065 3.431 31.901 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.020 2.169 29.266 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.361 2.505 29.719 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.599 4.896 29.997 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.456 3.931 28.344 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.767 7.184 29.055 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.614 6.226 27.408 1.00 0.00 H new ATOM 0 HH TYR A 15 76.642 8.220 27.175 1.00 0.00 H new ATOM 246 N HIS A 16 77.021 1.029 32.293 1.00 0.00 N ATOM 247 CA HIS A 16 77.106 -0.378 32.802 1.00 0.00 C ATOM 248 C HIS A 16 76.544 -1.287 31.713 1.00 0.00 C ATOM 249 O HIS A 16 75.790 -2.203 31.967 1.00 0.00 O ATOM 250 CB HIS A 16 76.282 -0.556 34.091 1.00 0.00 C ATOM 251 CG HIS A 16 76.912 0.165 35.253 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.975 -0.331 35.994 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.594 1.355 35.862 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.263 0.518 36.984 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.445 1.574 36.951 1.00 0.00 N ATOM 0 H HIS A 16 77.888 1.565 32.338 1.00 0.00 H new ATOM 0 HA HIS A 16 78.142 -0.624 33.036 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.271 -0.180 33.933 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.194 -1.617 34.324 1.00 0.00 H new ATOM 0 HD1 HIS A 16 78.461 -1.209 35.811 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.805 2.022 35.547 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.048 0.371 37.711 1.00 0.00 H new ATOM 263 N SER A 17 76.888 -1.009 30.487 1.00 0.00 N ATOM 264 CA SER A 17 76.365 -1.814 29.359 1.00 0.00 C ATOM 265 C SER A 17 76.838 -3.261 29.492 1.00 0.00 C ATOM 266 O SER A 17 77.893 -3.532 30.023 1.00 0.00 O ATOM 267 CB SER A 17 76.871 -1.214 28.044 1.00 0.00 C ATOM 268 OG SER A 17 78.249 -0.909 28.176 1.00 0.00 O ATOM 0 H SER A 17 77.515 -0.250 30.220 1.00 0.00 H new ATOM 0 HA SER A 17 75.275 -1.801 29.370 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.718 -1.918 27.226 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.308 -0.313 27.800 1.00 0.00 H new ATOM 0 HG SER A 17 78.561 -0.451 27.368 1.00 0.00 H new ATOM 274 N ASN A 18 76.067 -4.195 29.005 1.00 0.00 N ATOM 275 CA ASN A 18 76.478 -5.612 29.101 1.00 0.00 C ATOM 276 C ASN A 18 77.676 -5.821 28.188 1.00 0.00 C ATOM 277 O ASN A 18 77.866 -5.108 27.225 1.00 0.00 O ATOM 278 CB ASN A 18 75.318 -6.506 28.665 1.00 0.00 C ATOM 279 CG ASN A 18 74.121 -6.277 29.597 1.00 0.00 C ATOM 280 OD1 ASN A 18 73.006 -6.071 29.150 1.00 0.00 O ATOM 281 ND2 ASN A 18 74.315 -6.304 30.885 1.00 0.00 N ATOM 0 H ASN A 18 75.171 -4.031 28.546 1.00 0.00 H new ATOM 0 HA ASN A 18 76.747 -5.866 30.126 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.039 -6.283 27.635 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.620 -7.553 28.694 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.533 -6.153 31.522 1.00 0.00 H new ATOM 0 HD22 ASN A 18 75.249 -6.477 31.257 1.00 0.00 H new ATOM 288 N TRP A 19 78.503 -6.773 28.499 1.00 0.00 N ATOM 289 CA TRP A 19 79.706 -7.002 27.662 1.00 0.00 C ATOM 290 C TRP A 19 79.277 -7.208 26.206 1.00 0.00 C ATOM 291 O TRP A 19 80.003 -6.883 25.287 1.00 0.00 O ATOM 292 CB TRP A 19 80.491 -8.214 28.188 1.00 0.00 C ATOM 293 CG TRP A 19 79.739 -9.475 27.917 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.933 -10.116 28.805 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.706 -10.258 26.693 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.407 -11.243 28.197 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.849 -11.373 26.897 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.317 -10.109 25.429 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.630 -12.315 25.891 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.094 -11.057 24.414 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.244 -12.154 24.642 1.00 0.00 C ATOM 0 H TRP A 19 78.398 -7.402 29.295 1.00 0.00 H new ATOM 0 HA TRP A 19 80.362 -6.133 27.712 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.470 -8.257 27.711 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.663 -8.108 29.259 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.736 -9.798 29.818 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.771 -11.897 28.654 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.960 -9.262 25.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.990 -13.165 26.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.578 -10.942 23.455 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.065 -12.872 23.855 1.00 0.00 H new ATOM 312 N ARG A 20 78.103 -7.746 25.976 1.00 0.00 N ATOM 313 CA ARG A 20 77.652 -7.957 24.564 1.00 0.00 C ATOM 314 C ARG A 20 77.525 -6.615 23.843 1.00 0.00 C ATOM 315 O ARG A 20 77.943 -6.461 22.716 1.00 0.00 O ATOM 316 CB ARG A 20 76.292 -8.663 24.559 1.00 0.00 C ATOM 317 CG ARG A 20 76.440 -10.076 25.122 1.00 0.00 C ATOM 318 CD ARG A 20 75.106 -10.816 25.006 1.00 0.00 C ATOM 319 NE ARG A 20 75.194 -12.114 25.743 1.00 0.00 N ATOM 320 CZ ARG A 20 74.111 -12.798 26.014 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.942 -12.356 25.628 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.200 -13.929 26.658 1.00 0.00 N ATOM 0 H ARG A 20 77.445 -8.045 26.695 1.00 0.00 H new ATOM 0 HA ARG A 20 78.390 -8.572 24.048 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.576 -8.097 25.155 1.00 0.00 H new ATOM 0 HB3 ARG A 20 75.898 -8.706 23.544 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.215 -10.616 24.578 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.754 -10.032 26.165 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.302 -10.206 25.417 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.867 -10.995 23.958 1.00 0.00 H new ATOM 0 HE ARG A 20 76.104 -12.469 26.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 72.873 -11.477 25.115 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.099 -12.890 25.840 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.112 -14.279 26.950 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.357 -14.463 26.870 1.00 0.00 H new ATOM 336 N ALA A 21 76.958 -5.633 24.479 1.00 0.00 N ATOM 337 CA ALA A 21 76.828 -4.313 23.799 1.00 0.00 C ATOM 338 C ALA A 21 78.216 -3.691 23.654 1.00 0.00 C ATOM 339 O ALA A 21 78.575 -3.176 22.616 1.00 0.00 O ATOM 340 CB ALA A 21 75.930 -3.388 24.626 1.00 0.00 C ATOM 0 H ALA A 21 76.583 -5.682 25.426 1.00 0.00 H new ATOM 0 HA ALA A 21 76.381 -4.450 22.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.839 -2.425 24.124 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.943 -3.838 24.730 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.369 -3.242 25.613 1.00 0.00 H new ATOM 346 N MET A 22 78.994 -3.739 24.693 1.00 0.00 N ATOM 347 CA MET A 22 80.363 -3.155 24.642 1.00 0.00 C ATOM 348 C MET A 22 81.201 -3.869 23.586 1.00 0.00 C ATOM 349 O MET A 22 81.898 -3.250 22.807 1.00 0.00 O ATOM 350 CB MET A 22 81.017 -3.337 26.009 1.00 0.00 C ATOM 351 CG MET A 22 80.201 -2.606 27.090 1.00 0.00 C ATOM 352 SD MET A 22 80.377 -3.473 28.667 1.00 0.00 S ATOM 353 CE MET A 22 82.182 -3.643 28.638 1.00 0.00 C ATOM 0 H MET A 22 78.740 -4.162 25.586 1.00 0.00 H new ATOM 0 HA MET A 22 80.300 -2.098 24.385 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.085 -4.398 26.249 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.036 -2.949 25.988 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.547 -1.577 27.188 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.151 -2.563 26.801 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.557 -3.717 29.659 1.00 0.00 H new ATOM 0 HE2 MET A 22 82.454 -4.542 28.085 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.622 -2.772 28.153 1.00 0.00 H new ATOM 363 N ALA A 23 81.139 -5.163 23.543 1.00 0.00 N ATOM 364 CA ALA A 23 81.933 -5.888 22.519 1.00 0.00 C ATOM 365 C ALA A 23 81.521 -5.397 21.127 1.00 0.00 C ATOM 366 O ALA A 23 82.352 -5.142 20.286 1.00 0.00 O ATOM 367 CB ALA A 23 81.671 -7.389 22.620 1.00 0.00 C ATOM 0 H ALA A 23 80.580 -5.748 24.164 1.00 0.00 H new ATOM 0 HA ALA A 23 82.994 -5.698 22.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.258 -7.912 21.865 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.957 -7.742 23.611 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.611 -7.585 22.456 1.00 0.00 H new ATOM 373 N SER A 24 80.245 -5.262 20.881 1.00 0.00 N ATOM 374 CA SER A 24 79.800 -4.786 19.543 1.00 0.00 C ATOM 375 C SER A 24 80.190 -3.320 19.366 1.00 0.00 C ATOM 376 O SER A 24 80.520 -2.884 18.281 1.00 0.00 O ATOM 377 CB SER A 24 78.285 -4.939 19.430 1.00 0.00 C ATOM 378 OG SER A 24 77.941 -6.308 19.624 1.00 0.00 O ATOM 0 H SER A 24 79.497 -5.460 21.546 1.00 0.00 H new ATOM 0 HA SER A 24 80.281 -5.379 18.765 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.787 -4.317 20.174 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.944 -4.600 18.452 1.00 0.00 H new ATOM 0 HG SER A 24 77.890 -6.500 20.584 1.00 0.00 H new ATOM 384 N ASP A 25 80.151 -2.556 20.419 1.00 0.00 N ATOM 385 CA ASP A 25 80.516 -1.117 20.311 1.00 0.00 C ATOM 386 C ASP A 25 81.972 -0.976 19.853 1.00 0.00 C ATOM 387 O ASP A 25 82.292 -0.132 19.035 1.00 0.00 O ATOM 388 CB ASP A 25 80.349 -0.463 21.677 1.00 0.00 C ATOM 389 CG ASP A 25 80.607 1.042 21.570 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.051 1.474 20.520 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.364 1.732 22.551 1.00 0.00 O ATOM 0 H ASP A 25 79.882 -2.866 21.353 1.00 0.00 H new ATOM 0 HA ASP A 25 79.868 -0.632 19.581 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.342 -0.642 22.055 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.041 -0.910 22.391 1.00 0.00 H new ATOM 396 N PHE A 26 82.852 -1.793 20.377 1.00 0.00 N ATOM 397 CA PHE A 26 84.304 -1.718 19.988 1.00 0.00 C ATOM 398 C PHE A 26 84.708 -2.936 19.158 1.00 0.00 C ATOM 399 O PHE A 26 85.860 -3.096 18.805 1.00 0.00 O ATOM 400 CB PHE A 26 85.145 -1.669 21.250 1.00 0.00 C ATOM 401 CG PHE A 26 84.830 -0.386 21.967 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.779 -0.346 22.885 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.573 0.772 21.692 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.465 0.850 23.533 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.262 1.968 22.345 1.00 0.00 C ATOM 406 CZ PHE A 26 84.209 2.006 23.266 1.00 0.00 C ATOM 0 H PHE A 26 82.630 -2.515 21.062 1.00 0.00 H new ATOM 0 HA PHE A 26 84.465 -0.823 19.387 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.926 -2.526 21.887 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.206 -1.718 21.004 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.209 -1.240 23.094 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.383 0.739 20.978 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.649 0.884 24.240 1.00 0.00 H new ATOM 0 HE2 PHE A 26 85.833 2.861 22.139 1.00 0.00 H new ATOM 0 HZ PHE A 26 83.969 2.929 23.772 1.00 0.00 H new ATOM 416 N ASN A 27 83.776 -3.790 18.840 1.00 0.00 N ATOM 417 CA ASN A 27 84.106 -4.991 18.018 1.00 0.00 C ATOM 418 C ASN A 27 85.261 -5.787 18.653 1.00 0.00 C ATOM 419 O ASN A 27 86.199 -6.175 17.977 1.00 0.00 O ATOM 420 CB ASN A 27 84.517 -4.541 16.616 1.00 0.00 C ATOM 421 CG ASN A 27 83.390 -3.722 15.979 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.231 -3.905 16.297 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.683 -2.822 15.077 1.00 0.00 N ATOM 0 H ASN A 27 82.797 -3.709 19.114 1.00 0.00 H new ATOM 0 HA ASN A 27 83.226 -5.633 17.967 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.427 -3.944 16.669 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.741 -5.410 15.997 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.940 -2.275 14.642 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.655 -2.667 14.808 1.00 0.00 H new ATOM 430 N LEU A 28 85.200 -6.032 19.941 1.00 0.00 N ATOM 431 CA LEU A 28 86.292 -6.803 20.648 1.00 0.00 C ATOM 432 C LEU A 28 85.721 -8.143 21.128 1.00 0.00 C ATOM 433 O LEU A 28 84.531 -8.245 21.373 1.00 0.00 O ATOM 434 CB LEU A 28 86.751 -5.986 21.865 1.00 0.00 C ATOM 435 CG LEU A 28 87.495 -4.724 21.401 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.661 -3.770 22.595 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.882 -5.094 20.833 1.00 0.00 C ATOM 0 H LEU A 28 84.435 -5.730 20.545 1.00 0.00 H new ATOM 0 HA LEU A 28 87.131 -6.980 19.975 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.890 -5.708 22.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.403 -6.591 22.495 1.00 0.00 H new ATOM 0 HG LEU A 28 86.918 -4.237 20.615 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.188 -2.872 22.273 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.679 -3.495 22.981 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.233 -4.265 23.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.396 -4.189 20.509 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.471 -5.589 21.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.760 -5.766 19.983 1.00 0.00 H new ATOM 449 N PRO A 29 86.539 -9.174 21.266 1.00 0.00 N ATOM 450 CA PRO A 29 86.049 -10.505 21.731 1.00 0.00 C ATOM 451 C PRO A 29 85.469 -10.405 23.147 1.00 0.00 C ATOM 452 O PRO A 29 85.728 -9.454 23.864 1.00 0.00 O ATOM 453 CB PRO A 29 87.294 -11.409 21.689 1.00 0.00 C ATOM 454 CG PRO A 29 88.462 -10.470 21.697 1.00 0.00 C ATOM 455 CD PRO A 29 87.990 -9.187 21.007 1.00 0.00 C ATOM 0 HA PRO A 29 85.243 -10.897 21.110 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.322 -12.080 22.547 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.297 -12.034 20.796 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.789 -10.265 22.717 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.313 -10.904 21.171 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.480 -8.305 21.420 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.207 -9.202 19.939 1.00 0.00 H new ATOM 463 N PRO A 30 84.681 -11.362 23.541 1.00 0.00 N ATOM 464 CA PRO A 30 84.040 -11.365 24.882 1.00 0.00 C ATOM 465 C PRO A 30 85.074 -11.251 26.005 1.00 0.00 C ATOM 466 O PRO A 30 84.835 -10.637 27.021 1.00 0.00 O ATOM 467 CB PRO A 30 83.297 -12.723 24.942 1.00 0.00 C ATOM 468 CG PRO A 30 83.884 -13.547 23.834 1.00 0.00 C ATOM 469 CD PRO A 30 84.313 -12.547 22.761 1.00 0.00 C ATOM 0 HA PRO A 30 83.373 -10.514 25.020 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.439 -13.206 25.909 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.224 -12.590 24.807 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.734 -14.131 24.188 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.153 -14.254 23.441 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.152 -12.920 22.174 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.505 -12.334 22.061 1.00 0.00 H new ATOM 477 N VAL A 31 86.217 -11.840 25.839 1.00 0.00 N ATOM 478 CA VAL A 31 87.237 -11.777 26.921 1.00 0.00 C ATOM 479 C VAL A 31 87.568 -10.336 27.258 1.00 0.00 C ATOM 480 O VAL A 31 87.592 -9.952 28.411 1.00 0.00 O ATOM 481 CB VAL A 31 88.516 -12.492 26.470 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.597 -12.425 27.572 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.184 -13.960 26.175 1.00 0.00 C ATOM 0 H VAL A 31 86.493 -12.361 25.007 1.00 0.00 H new ATOM 0 HA VAL A 31 86.830 -12.266 27.806 1.00 0.00 H new ATOM 0 HB VAL A 31 88.901 -12.001 25.576 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.496 -12.938 27.231 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.833 -11.383 27.787 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.225 -12.906 28.476 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.086 -14.480 25.853 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.795 -14.433 27.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.434 -14.012 25.386 1.00 0.00 H new ATOM 493 N VAL A 32 87.854 -9.523 26.290 1.00 0.00 N ATOM 494 CA VAL A 32 88.201 -8.121 26.633 1.00 0.00 C ATOM 495 C VAL A 32 86.977 -7.437 27.234 1.00 0.00 C ATOM 496 O VAL A 32 87.051 -6.802 28.269 1.00 0.00 O ATOM 497 CB VAL A 32 88.661 -7.378 25.387 1.00 0.00 C ATOM 498 CG1 VAL A 32 89.046 -5.951 25.771 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.883 -8.093 24.802 1.00 0.00 C ATOM 0 H VAL A 32 87.864 -9.758 25.297 1.00 0.00 H new ATOM 0 HA VAL A 32 89.014 -8.112 27.359 1.00 0.00 H new ATOM 0 HB VAL A 32 87.859 -7.356 24.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.377 -5.412 24.883 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.182 -5.445 26.202 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.854 -5.976 26.502 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.219 -7.567 23.909 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.685 -8.105 25.540 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.615 -9.117 24.541 1.00 0.00 H new ATOM 509 N ALA A 33 85.852 -7.566 26.599 1.00 0.00 N ATOM 510 CA ALA A 33 84.621 -6.919 27.144 1.00 0.00 C ATOM 511 C ALA A 33 84.209 -7.562 28.474 1.00 0.00 C ATOM 512 O ALA A 33 83.863 -6.878 29.412 1.00 0.00 O ATOM 513 CB ALA A 33 83.478 -7.057 26.135 1.00 0.00 C ATOM 0 H ALA A 33 85.726 -8.087 25.731 1.00 0.00 H new ATOM 0 HA ALA A 33 84.835 -5.865 27.319 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.581 -6.584 26.535 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.758 -6.572 25.200 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.280 -8.113 25.951 1.00 0.00 H new ATOM 519 N LYS A 34 84.231 -8.870 28.564 1.00 0.00 N ATOM 520 CA LYS A 34 83.826 -9.526 29.845 1.00 0.00 C ATOM 521 C LYS A 34 84.781 -9.128 30.967 1.00 0.00 C ATOM 522 O LYS A 34 84.388 -8.991 32.113 1.00 0.00 O ATOM 523 CB LYS A 34 83.831 -11.051 29.687 1.00 0.00 C ATOM 524 CG LYS A 34 82.658 -11.479 28.796 1.00 0.00 C ATOM 525 CD LYS A 34 82.681 -12.999 28.601 1.00 0.00 C ATOM 526 CE LYS A 34 82.264 -13.701 29.900 1.00 0.00 C ATOM 527 NZ LYS A 34 81.868 -15.100 29.594 1.00 0.00 N ATOM 0 H LYS A 34 84.508 -9.505 27.815 1.00 0.00 H new ATOM 0 HA LYS A 34 82.818 -9.195 30.097 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.773 -11.378 29.247 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.752 -11.528 30.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.715 -11.176 29.251 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.722 -10.978 27.830 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.006 -13.281 27.793 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.680 -13.321 28.308 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.088 -13.691 30.613 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.434 -13.169 30.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.584 -15.580 30.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.070 -15.097 28.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.672 -15.603 29.168 1.00 0.00 H new ATOM 541 N GLU A 35 86.038 -8.961 30.666 1.00 0.00 N ATOM 542 CA GLU A 35 87.001 -8.598 31.740 1.00 0.00 C ATOM 543 C GLU A 35 86.611 -7.256 32.349 1.00 0.00 C ATOM 544 O GLU A 35 86.693 -7.057 33.544 1.00 0.00 O ATOM 545 CB GLU A 35 88.414 -8.508 31.153 1.00 0.00 C ATOM 546 CG GLU A 35 89.462 -8.543 32.280 1.00 0.00 C ATOM 547 CD GLU A 35 89.523 -7.183 32.982 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.006 -6.230 32.432 1.00 0.00 O ATOM 549 OE2 GLU A 35 90.092 -7.124 34.056 1.00 0.00 O ATOM 0 H GLU A 35 86.437 -9.059 29.732 1.00 0.00 H new ATOM 0 HA GLU A 35 86.980 -9.363 32.516 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.583 -9.336 30.464 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.519 -7.588 30.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.208 -9.322 32.999 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.440 -8.794 31.870 1.00 0.00 H new ATOM 556 N ILE A 36 86.185 -6.324 31.542 1.00 0.00 N ATOM 557 CA ILE A 36 85.789 -5.001 32.095 1.00 0.00 C ATOM 558 C ILE A 36 84.649 -5.216 33.080 1.00 0.00 C ATOM 559 O ILE A 36 84.592 -4.585 34.115 1.00 0.00 O ATOM 560 CB ILE A 36 85.341 -4.072 30.966 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.534 -3.814 30.032 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.826 -2.742 31.548 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.079 -3.013 28.811 1.00 0.00 C ATOM 0 H ILE A 36 86.095 -6.421 30.531 1.00 0.00 H new ATOM 0 HA ILE A 36 86.637 -4.539 32.601 1.00 0.00 H new ATOM 0 HB ILE A 36 84.531 -4.539 30.406 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.313 -3.269 30.565 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.969 -4.761 29.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.510 -2.088 30.736 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.980 -2.937 32.208 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.623 -2.259 32.113 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.931 -2.835 28.155 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.316 -3.574 28.271 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.665 -2.058 29.136 1.00 0.00 H new ATOM 575 N VAL A 37 83.743 -6.108 32.771 1.00 0.00 N ATOM 576 CA VAL A 37 82.614 -6.366 33.713 1.00 0.00 C ATOM 577 C VAL A 37 83.199 -6.925 35.010 1.00 0.00 C ATOM 578 O VAL A 37 82.780 -6.579 36.097 1.00 0.00 O ATOM 579 CB VAL A 37 81.661 -7.397 33.100 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.504 -7.670 34.059 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.100 -6.862 31.786 1.00 0.00 C ATOM 0 H VAL A 37 83.736 -6.664 31.916 1.00 0.00 H new ATOM 0 HA VAL A 37 82.064 -5.445 33.907 1.00 0.00 H new ATOM 0 HB VAL A 37 82.211 -8.320 32.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.830 -8.404 33.617 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.895 -8.057 35.000 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.960 -6.744 34.246 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.423 -7.598 31.353 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.557 -5.935 31.973 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.919 -6.670 31.092 1.00 0.00 H new ATOM 591 N ALA A 38 84.173 -7.792 34.899 1.00 0.00 N ATOM 592 CA ALA A 38 84.796 -8.372 36.123 1.00 0.00 C ATOM 593 C ALA A 38 85.393 -7.236 36.965 1.00 0.00 C ATOM 594 O ALA A 38 85.464 -7.311 38.170 1.00 0.00 O ATOM 595 CB ALA A 38 85.902 -9.361 35.730 1.00 0.00 C ATOM 0 H ALA A 38 84.562 -8.122 34.015 1.00 0.00 H new ATOM 0 HA ALA A 38 84.039 -8.902 36.701 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.352 -9.780 36.630 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.475 -10.164 35.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.665 -8.842 35.151 1.00 0.00 H new ATOM 601 N SER A 39 85.828 -6.172 36.328 1.00 0.00 N ATOM 602 CA SER A 39 86.423 -5.026 37.085 1.00 0.00 C ATOM 603 C SER A 39 85.293 -4.194 37.702 1.00 0.00 C ATOM 604 O SER A 39 85.472 -3.538 38.707 1.00 0.00 O ATOM 605 CB SER A 39 87.247 -4.162 36.127 1.00 0.00 C ATOM 606 OG SER A 39 88.283 -4.956 35.553 1.00 0.00 O ATOM 0 H SER A 39 85.796 -6.050 35.316 1.00 0.00 H new ATOM 0 HA SER A 39 87.072 -5.398 37.878 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.608 -3.755 35.343 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.676 -3.314 36.661 1.00 0.00 H new ATOM 0 HG SER A 39 87.891 -5.612 34.940 1.00 0.00 H new ATOM 612 N CYS A 40 84.126 -4.230 37.117 1.00 0.00 N ATOM 613 CA CYS A 40 82.987 -3.460 37.693 1.00 0.00 C ATOM 614 C CYS A 40 82.388 -4.271 38.841 1.00 0.00 C ATOM 615 O CYS A 40 81.655 -5.217 38.624 1.00 0.00 O ATOM 616 CB CYS A 40 81.918 -3.230 36.620 1.00 0.00 C ATOM 617 SG CYS A 40 80.517 -2.350 37.337 1.00 0.00 S ATOM 0 H CYS A 40 83.913 -4.756 36.270 1.00 0.00 H new ATOM 0 HA CYS A 40 83.338 -2.493 38.054 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.336 -2.656 35.793 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.589 -4.185 36.210 1.00 0.00 H new ATOM 0 HG CYS A 40 79.411 -2.811 36.832 1.00 0.00 H new ATOM 622 N ASP A 41 82.704 -3.925 40.053 1.00 0.00 N ATOM 623 CA ASP A 41 82.161 -4.687 41.217 1.00 0.00 C ATOM 624 C ASP A 41 80.635 -4.655 41.235 1.00 0.00 C ATOM 625 O ASP A 41 79.994 -5.572 41.716 1.00 0.00 O ATOM 626 CB ASP A 41 82.681 -4.054 42.502 1.00 0.00 C ATOM 627 CG ASP A 41 84.175 -4.326 42.626 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.636 -5.293 42.030 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.844 -3.578 43.320 1.00 0.00 O ATOM 0 H ASP A 41 83.316 -3.146 40.294 1.00 0.00 H new ATOM 0 HA ASP A 41 82.484 -5.725 41.134 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.494 -2.980 42.494 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.152 -4.463 43.363 1.00 0.00 H new ATOM 634 N LYS A 42 80.043 -3.600 40.753 1.00 0.00 N ATOM 635 CA LYS A 42 78.554 -3.500 40.788 1.00 0.00 C ATOM 636 C LYS A 42 77.911 -4.499 39.823 1.00 0.00 C ATOM 637 O LYS A 42 76.913 -5.112 40.136 1.00 0.00 O ATOM 638 CB LYS A 42 78.144 -2.078 40.393 1.00 0.00 C ATOM 639 CG LYS A 42 78.714 -1.081 41.402 1.00 0.00 C ATOM 640 CD LYS A 42 78.250 0.325 41.026 1.00 0.00 C ATOM 641 CE LYS A 42 78.951 1.360 41.915 1.00 0.00 C ATOM 642 NZ LYS A 42 78.540 2.745 41.517 1.00 0.00 N ATOM 0 H LYS A 42 80.523 -2.802 40.336 1.00 0.00 H new ATOM 0 HA LYS A 42 78.211 -3.731 41.797 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.510 -1.848 39.392 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.057 -1.998 40.361 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.380 -1.331 42.409 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.803 -1.130 41.406 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.473 0.523 39.977 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.169 0.404 41.143 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.698 1.184 42.960 1.00 0.00 H new ATOM 0 HE3 LYS A 42 80.032 1.254 41.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.021 3.438 42.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.803 2.914 40.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.510 2.846 41.624 1.00 0.00 H new ATOM 656 N CYS A 43 78.468 -4.675 38.660 1.00 0.00 N ATOM 657 CA CYS A 43 77.877 -5.641 37.687 1.00 0.00 C ATOM 658 C CYS A 43 78.320 -7.069 38.040 1.00 0.00 C ATOM 659 O CYS A 43 77.662 -8.036 37.704 1.00 0.00 O ATOM 660 CB CYS A 43 78.362 -5.290 36.276 1.00 0.00 C ATOM 661 SG CYS A 43 77.487 -3.816 35.686 1.00 0.00 S ATOM 0 H CYS A 43 79.307 -4.193 38.338 1.00 0.00 H new ATOM 0 HA CYS A 43 76.789 -5.583 37.729 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.437 -5.109 36.284 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.184 -6.126 35.600 1.00 0.00 H new ATOM 0 HG CYS A 43 78.317 -3.045 35.047 1.00 0.00 H new ATOM 666 N GLN A 44 79.435 -7.214 38.706 1.00 0.00 N ATOM 667 CA GLN A 44 79.921 -8.577 39.061 1.00 0.00 C ATOM 668 C GLN A 44 79.087 -9.125 40.216 1.00 0.00 C ATOM 669 O GLN A 44 78.257 -9.994 40.039 1.00 0.00 O ATOM 670 CB GLN A 44 81.385 -8.486 39.482 1.00 0.00 C ATOM 671 CG GLN A 44 81.959 -9.888 39.655 1.00 0.00 C ATOM 672 CD GLN A 44 83.457 -9.781 39.968 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.116 -8.723 39.581 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.033 -10.669 40.564 1.00 0.00 N ATOM 0 H GLN A 44 80.029 -6.446 39.019 1.00 0.00 H new ATOM 0 HA GLN A 44 79.827 -9.242 38.203 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.956 -7.939 38.731 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.471 -7.930 40.415 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.443 -10.409 40.461 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.805 -10.472 38.748 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.519 -11.496 40.867 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.030 -10.587 40.761 1.00 0.00 H new ATOM 844 N PHE B 1 94.000 -13.876 21.230 1.00 0.00 N ATOM 845 CA PHE B 1 93.129 -13.767 22.431 1.00 0.00 C ATOM 846 C PHE B 1 92.677 -15.162 22.891 1.00 0.00 C ATOM 847 O PHE B 1 93.113 -15.659 23.902 1.00 0.00 O ATOM 848 CB PHE B 1 91.888 -12.929 22.087 1.00 0.00 C ATOM 849 CG PHE B 1 92.256 -11.461 21.918 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.680 -10.982 20.670 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.163 -10.575 23.011 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.004 -9.625 20.510 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.491 -9.217 22.846 1.00 0.00 C ATOM 854 CZ PHE B 1 92.916 -8.746 21.597 1.00 0.00 C ATOM 0 H1 PHE B 1 93.930 -13.003 20.670 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.986 -14.018 21.528 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.694 -14.684 20.651 1.00 0.00 H new ATOM 0 HA PHE B 1 93.694 -13.290 23.232 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.434 -13.303 21.169 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.143 -13.033 22.876 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.757 -11.658 19.831 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.840 -10.939 23.975 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.322 -9.258 19.545 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.415 -8.538 23.682 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.176 -7.705 21.472 1.00 0.00 H new ATOM 866 N LEU B 2 91.778 -15.776 22.173 1.00 0.00 N ATOM 867 CA LEU B 2 91.264 -17.111 22.601 1.00 0.00 C ATOM 868 C LEU B 2 92.345 -18.188 22.470 1.00 0.00 C ATOM 869 O LEU B 2 92.407 -19.103 23.263 1.00 0.00 O ATOM 870 CB LEU B 2 90.059 -17.492 21.725 1.00 0.00 C ATOM 871 CG LEU B 2 89.059 -16.327 21.689 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.846 -16.701 20.827 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.590 -16.007 23.108 1.00 0.00 C ATOM 0 H LEU B 2 91.376 -15.413 21.309 1.00 0.00 H new ATOM 0 HA LEU B 2 90.968 -17.048 23.648 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.392 -17.730 20.715 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.577 -18.386 22.121 1.00 0.00 H new ATOM 0 HG LEU B 2 89.550 -15.454 21.260 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.143 -15.868 20.808 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.175 -16.921 19.812 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.357 -17.579 21.248 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.881 -15.180 23.079 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.107 -16.884 23.538 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.447 -15.728 23.720 1.00 0.00 H new ATOM 885 N ASP B 3 93.189 -18.111 21.478 1.00 0.00 N ATOM 886 CA ASP B 3 94.240 -19.172 21.319 1.00 0.00 C ATOM 887 C ASP B 3 95.150 -19.221 22.552 1.00 0.00 C ATOM 888 O ASP B 3 95.349 -20.265 23.149 1.00 0.00 O ATOM 889 CB ASP B 3 95.087 -18.864 20.080 1.00 0.00 C ATOM 890 CG ASP B 3 96.003 -20.053 19.775 1.00 0.00 C ATOM 891 OD1 ASP B 3 96.199 -20.870 20.663 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.495 -20.127 18.663 1.00 0.00 O ATOM 0 H ASP B 3 93.202 -17.372 20.775 1.00 0.00 H new ATOM 0 HA ASP B 3 93.747 -20.138 21.207 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.440 -18.662 19.226 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.683 -17.967 20.248 1.00 0.00 H new ATOM 897 N GLY B 4 95.701 -18.103 22.944 1.00 0.00 N ATOM 898 CA GLY B 4 96.600 -18.090 24.136 1.00 0.00 C ATOM 899 C GLY B 4 95.792 -18.443 25.387 1.00 0.00 C ATOM 900 O GLY B 4 96.234 -19.196 26.231 1.00 0.00 O ATOM 0 H GLY B 4 95.568 -17.199 22.491 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.412 -18.805 24.001 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.056 -17.107 24.250 1.00 0.00 H new ATOM 904 N ILE B 5 94.622 -17.884 25.517 1.00 0.00 N ATOM 905 CA ILE B 5 93.783 -18.167 26.710 1.00 0.00 C ATOM 906 C ILE B 5 93.467 -19.653 26.815 1.00 0.00 C ATOM 907 O ILE B 5 93.414 -20.203 27.898 1.00 0.00 O ATOM 908 CB ILE B 5 92.486 -17.372 26.620 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.827 -15.883 26.734 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.545 -17.785 27.765 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.663 -15.017 26.239 1.00 0.00 C ATOM 0 H ILE B 5 94.210 -17.239 24.843 1.00 0.00 H new ATOM 0 HA ILE B 5 94.338 -17.871 27.600 1.00 0.00 H new ATOM 0 HB ILE B 5 91.987 -17.569 25.671 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.054 -15.636 27.771 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.722 -15.665 26.151 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.618 -17.215 27.698 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.323 -18.849 27.687 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.026 -17.584 28.722 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.929 -13.964 26.330 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.455 -15.250 25.195 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.777 -15.221 26.840 1.00 0.00 H new ATOM 923 N ASP B 6 93.213 -20.306 25.721 1.00 0.00 N ATOM 924 CA ASP B 6 92.870 -21.742 25.820 1.00 0.00 C ATOM 925 C ASP B 6 94.012 -22.473 26.508 1.00 0.00 C ATOM 926 O ASP B 6 93.807 -23.279 27.395 1.00 0.00 O ATOM 927 CB ASP B 6 92.672 -22.320 24.423 1.00 0.00 C ATOM 928 CG ASP B 6 91.417 -21.716 23.800 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.622 -21.159 24.541 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.275 -21.806 22.591 1.00 0.00 O ATOM 0 H ASP B 6 93.228 -19.915 24.779 1.00 0.00 H new ATOM 0 HA ASP B 6 91.950 -21.861 26.392 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.541 -22.104 23.801 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.580 -23.405 24.476 1.00 0.00 H new ATOM 935 N LYS B 7 95.226 -22.195 26.118 1.00 0.00 N ATOM 936 CA LYS B 7 96.369 -22.884 26.774 1.00 0.00 C ATOM 937 C LYS B 7 96.512 -22.370 28.202 1.00 0.00 C ATOM 938 O LYS B 7 96.782 -23.119 29.122 1.00 0.00 O ATOM 939 CB LYS B 7 97.656 -22.610 26.001 1.00 0.00 C ATOM 940 CG LYS B 7 97.517 -23.147 24.577 1.00 0.00 C ATOM 941 CD LYS B 7 98.878 -23.074 23.881 1.00 0.00 C ATOM 942 CE LYS B 7 98.735 -23.541 22.432 1.00 0.00 C ATOM 943 NZ LYS B 7 98.010 -22.505 21.645 1.00 0.00 N ATOM 0 H LYS B 7 95.472 -21.530 25.384 1.00 0.00 H new ATOM 0 HA LYS B 7 96.184 -23.958 26.786 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.859 -21.539 25.979 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.501 -23.085 26.500 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.159 -24.176 24.596 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.780 -22.563 24.025 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.259 -22.053 23.909 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.601 -23.698 24.406 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.719 -23.720 21.998 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.193 -24.486 22.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.145 -22.683 20.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.996 -22.544 21.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.382 -21.564 21.884 1.00 0.00 H new ATOM 957 N ALA B 8 96.328 -21.098 28.397 1.00 0.00 N ATOM 958 CA ALA B 8 96.450 -20.532 29.763 1.00 0.00 C ATOM 959 C ALA B 8 95.319 -21.055 30.628 1.00 0.00 C ATOM 960 O ALA B 8 95.496 -21.355 31.788 1.00 0.00 O ATOM 961 CB ALA B 8 96.362 -19.007 29.693 1.00 0.00 C ATOM 0 H ALA B 8 96.098 -20.424 27.667 1.00 0.00 H new ATOM 0 HA ALA B 8 97.408 -20.825 30.192 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.452 -18.591 30.696 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.169 -18.624 29.068 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.403 -18.717 29.264 1.00 0.00 H new ATOM 967 N GLN B 9 94.139 -21.138 30.081 1.00 0.00 N ATOM 968 CA GLN B 9 92.995 -21.611 30.893 1.00 0.00 C ATOM 969 C GLN B 9 93.309 -22.986 31.490 1.00 0.00 C ATOM 970 O GLN B 9 92.995 -23.258 32.639 1.00 0.00 O ATOM 971 CB GLN B 9 91.743 -21.706 30.014 1.00 0.00 C ATOM 972 CG GLN B 9 90.529 -21.970 30.902 1.00 0.00 C ATOM 973 CD GLN B 9 89.283 -22.132 30.029 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.310 -21.832 28.859 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.190 -22.614 30.560 1.00 0.00 N ATOM 0 H GLN B 9 93.922 -20.900 29.113 1.00 0.00 H new ATOM 0 HA GLN B 9 92.817 -20.903 31.703 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.605 -20.781 29.454 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.856 -22.507 29.284 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.689 -22.870 31.496 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.391 -21.146 31.602 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.171 -22.866 31.548 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.356 -22.738 29.986 1.00 0.00 H new ATOM 984 N GLU B 10 93.920 -23.854 30.737 1.00 0.00 N ATOM 985 CA GLU B 10 94.244 -25.206 31.276 1.00 0.00 C ATOM 986 C GLU B 10 95.206 -25.066 32.460 1.00 0.00 C ATOM 987 O GLU B 10 95.065 -25.734 33.459 1.00 0.00 O ATOM 988 CB GLU B 10 94.881 -26.036 30.154 1.00 0.00 C ATOM 989 CG GLU B 10 94.965 -27.505 30.565 1.00 0.00 C ATOM 990 CD GLU B 10 95.633 -28.301 29.437 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.972 -27.691 28.436 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.794 -29.493 29.596 1.00 0.00 O ATOM 0 H GLU B 10 94.210 -23.689 29.773 1.00 0.00 H new ATOM 0 HA GLU B 10 93.341 -25.706 31.626 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.292 -25.939 29.242 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.878 -25.656 29.932 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.537 -27.606 31.487 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.968 -27.898 30.764 1.00 0.00 H new ATOM 999 N GLU B 11 96.169 -24.192 32.353 1.00 0.00 N ATOM 1000 CA GLU B 11 97.118 -24.004 33.481 1.00 0.00 C ATOM 1001 C GLU B 11 96.348 -23.538 34.708 1.00 0.00 C ATOM 1002 O GLU B 11 96.586 -23.988 35.810 1.00 0.00 O ATOM 1003 CB GLU B 11 98.163 -22.942 33.114 1.00 0.00 C ATOM 1004 CG GLU B 11 99.255 -22.896 34.200 1.00 0.00 C ATOM 1005 CD GLU B 11 98.755 -22.117 35.422 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.764 -21.420 35.302 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.376 -22.244 36.467 1.00 0.00 O ATOM 0 H GLU B 11 96.338 -23.604 31.537 1.00 0.00 H new ATOM 0 HA GLU B 11 97.620 -24.949 33.689 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.608 -23.174 32.146 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.687 -21.966 33.021 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.529 -23.909 34.493 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.154 -22.425 33.802 1.00 0.00 H new ATOM 1014 N HIS B 12 95.435 -22.631 34.536 1.00 0.00 N ATOM 1015 CA HIS B 12 94.669 -22.138 35.708 1.00 0.00 C ATOM 1016 C HIS B 12 93.881 -23.287 36.344 1.00 0.00 C ATOM 1017 O HIS B 12 93.850 -23.438 37.542 1.00 0.00 O ATOM 1018 CB HIS B 12 93.705 -21.027 35.279 1.00 0.00 C ATOM 1019 CG HIS B 12 92.980 -20.554 36.504 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.240 -19.314 37.098 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.104 -21.201 37.337 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.542 -19.266 38.254 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.854 -20.386 38.420 1.00 0.00 N ATOM 0 H HIS B 12 95.186 -22.211 33.640 1.00 0.00 H new ATOM 0 HA HIS B 12 95.371 -21.738 36.440 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.251 -20.205 34.816 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.999 -21.399 34.536 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.845 -18.581 36.727 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.682 -22.181 37.173 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.545 -18.435 38.943 1.00 0.00 H new ATOM 1031 N GLU B 13 93.234 -24.092 35.553 1.00 0.00 N ATOM 1032 CA GLU B 13 92.443 -25.219 36.122 1.00 0.00 C ATOM 1033 C GLU B 13 93.347 -26.168 36.915 1.00 0.00 C ATOM 1034 O GLU B 13 92.999 -26.633 37.983 1.00 0.00 O ATOM 1035 CB GLU B 13 91.787 -25.989 34.969 1.00 0.00 C ATOM 1036 CG GLU B 13 90.800 -27.025 35.518 1.00 0.00 C ATOM 1037 CD GLU B 13 89.558 -26.315 36.055 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.478 -25.107 35.899 1.00 0.00 O ATOM 1039 OE2 GLU B 13 88.705 -26.991 36.602 1.00 0.00 O ATOM 0 H GLU B 13 93.217 -24.020 34.536 1.00 0.00 H new ATOM 0 HA GLU B 13 91.685 -24.820 36.796 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.267 -25.295 34.308 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.552 -26.485 34.372 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.519 -27.727 34.733 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.271 -27.606 36.311 1.00 0.00 H new ATOM 1046 N LYS B 14 94.501 -26.476 36.388 1.00 0.00 N ATOM 1047 CA LYS B 14 95.429 -27.414 37.086 1.00 0.00 C ATOM 1048 C LYS B 14 95.905 -26.869 38.439 1.00 0.00 C ATOM 1049 O LYS B 14 96.126 -27.638 39.355 1.00 0.00 O ATOM 1050 CB LYS B 14 96.669 -27.676 36.216 1.00 0.00 C ATOM 1051 CG LYS B 14 96.272 -28.459 34.958 1.00 0.00 C ATOM 1052 CD LYS B 14 97.532 -28.876 34.176 1.00 0.00 C ATOM 1053 CE LYS B 14 98.095 -27.690 33.378 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.034 -28.193 32.332 1.00 0.00 N ATOM 0 H LYS B 14 94.844 -26.116 35.497 1.00 0.00 H new ATOM 0 HA LYS B 14 94.869 -28.333 37.258 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.132 -26.730 35.935 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.410 -28.237 36.785 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.698 -29.343 35.236 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.628 -27.846 34.327 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.289 -29.247 34.867 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.291 -29.695 33.498 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.282 -27.132 32.914 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.613 -27.002 34.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.415 -27.390 31.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.816 -28.707 32.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.526 -28.833 31.688 1.00 0.00 H new ATOM 1068 N TYR B 15 96.130 -25.583 38.570 1.00 0.00 N ATOM 1069 CA TYR B 15 96.671 -25.055 39.875 1.00 0.00 C ATOM 1070 C TYR B 15 95.926 -23.803 40.362 1.00 0.00 C ATOM 1071 O TYR B 15 96.259 -23.255 41.395 1.00 0.00 O ATOM 1072 CB TYR B 15 98.144 -24.691 39.660 1.00 0.00 C ATOM 1073 CG TYR B 15 98.850 -25.854 39.006 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.284 -26.927 39.793 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.059 -25.880 37.615 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.931 -28.021 39.203 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.703 -26.980 37.027 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.136 -28.051 37.824 1.00 0.00 C ATOM 1079 OH TYR B 15 100.759 -29.129 37.245 1.00 0.00 O ATOM 0 H TYR B 15 95.968 -24.882 37.847 1.00 0.00 H new ATOM 0 HA TYR B 15 96.542 -25.828 40.633 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.224 -23.802 39.034 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.616 -24.453 40.613 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.119 -26.912 40.860 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.725 -25.056 37.002 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.271 -28.842 39.817 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.866 -27.002 35.960 1.00 0.00 H new ATOM 0 HH TYR B 15 100.821 -28.990 36.277 1.00 0.00 H new ATOM 1089 N HIS B 16 94.956 -23.316 39.635 1.00 0.00 N ATOM 1090 CA HIS B 16 94.248 -22.075 40.082 1.00 0.00 C ATOM 1091 C HIS B 16 95.312 -21.021 40.363 1.00 0.00 C ATOM 1092 O HIS B 16 95.264 -20.314 41.350 1.00 0.00 O ATOM 1093 CB HIS B 16 93.436 -22.322 41.362 1.00 0.00 C ATOM 1094 CG HIS B 16 92.240 -23.198 41.093 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.051 -22.733 40.557 1.00 0.00 N ATOM 1096 CD2 HIS B 16 92.013 -24.537 41.333 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.168 -23.739 40.488 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.708 -24.871 40.952 1.00 0.00 N ATOM 0 H HIS B 16 94.623 -23.717 38.758 1.00 0.00 H new ATOM 0 HA HIS B 16 93.554 -21.753 39.305 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.071 -22.791 42.113 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.105 -21.369 41.775 1.00 0.00 H new ATOM 0 HD1 HIS B 16 90.874 -21.773 40.260 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.733 -25.224 41.752 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.160 -23.648 40.110 1.00 0.00 H new ATOM 1106 N SER B 17 96.293 -20.943 39.507 1.00 0.00 N ATOM 1107 CA SER B 17 97.404 -19.970 39.708 1.00 0.00 C ATOM 1108 C SER B 17 96.865 -18.545 39.693 1.00 0.00 C ATOM 1109 O SER B 17 95.873 -18.260 39.053 1.00 0.00 O ATOM 1110 CB SER B 17 98.423 -20.136 38.586 1.00 0.00 C ATOM 1111 OG SER B 17 97.740 -20.185 37.342 1.00 0.00 O ATOM 0 H SER B 17 96.373 -21.518 38.668 1.00 0.00 H new ATOM 0 HA SER B 17 97.876 -20.160 40.672 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.130 -19.307 38.594 1.00 0.00 H new ATOM 0 HB3 SER B 17 99.000 -21.049 38.734 1.00 0.00 H new ATOM 0 HG SER B 17 97.649 -21.118 37.056 1.00 0.00 H new ATOM 1117 N ASN B 18 97.518 -17.643 40.376 1.00 0.00 N ATOM 1118 CA ASN B 18 97.035 -16.239 40.378 1.00 0.00 C ATOM 1119 C ASN B 18 97.288 -15.631 38.996 1.00 0.00 C ATOM 1120 O ASN B 18 98.200 -16.022 38.307 1.00 0.00 O ATOM 1121 CB ASN B 18 97.782 -15.440 41.452 1.00 0.00 C ATOM 1122 CG ASN B 18 97.475 -16.040 42.831 1.00 0.00 C ATOM 1123 OD1 ASN B 18 98.362 -16.284 43.623 1.00 0.00 O ATOM 1124 ND2 ASN B 18 96.233 -16.283 43.149 1.00 0.00 N ATOM 0 H ASN B 18 98.358 -17.819 40.927 1.00 0.00 H new ATOM 0 HA ASN B 18 95.968 -16.209 40.600 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.855 -15.466 41.261 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.478 -14.394 41.421 1.00 0.00 H new ATOM 0 HD21 ASN B 18 96.008 -16.678 44.062 1.00 0.00 H new ATOM 0 HD22 ASN B 18 95.487 -16.078 42.484 1.00 0.00 H new ATOM 1131 N TRP B 19 96.478 -14.697 38.588 1.00 0.00 N ATOM 1132 CA TRP B 19 96.672 -14.081 37.250 1.00 0.00 C ATOM 1133 C TRP B 19 98.123 -13.596 37.111 1.00 0.00 C ATOM 1134 O TRP B 19 98.672 -13.565 36.025 1.00 0.00 O ATOM 1135 CB TRP B 19 95.691 -12.906 37.071 1.00 0.00 C ATOM 1136 CG TRP B 19 96.084 -11.744 37.927 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.559 -11.474 39.145 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.055 -10.692 37.654 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.148 -10.330 39.641 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.075 -9.810 38.761 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.903 -10.419 36.573 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.917 -8.697 38.794 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.751 -9.301 36.600 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.753 -8.437 37.707 1.00 0.00 C ATOM 0 H TRP B 19 95.690 -14.334 39.124 1.00 0.00 H new ATOM 0 HA TRP B 19 96.474 -14.822 36.475 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.671 -12.601 36.025 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.682 -13.228 37.329 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.802 -12.059 39.647 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.926 -9.919 40.547 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.904 -11.073 35.713 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.921 -8.043 39.653 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.406 -9.104 35.764 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.400 -7.573 37.717 1.00 0.00 H new ATOM 1155 N ARG B 20 98.754 -13.214 38.191 1.00 0.00 N ATOM 1156 CA ARG B 20 100.169 -12.740 38.087 1.00 0.00 C ATOM 1157 C ARG B 20 101.071 -13.873 37.587 1.00 0.00 C ATOM 1158 O ARG B 20 101.919 -13.671 36.740 1.00 0.00 O ATOM 1159 CB ARG B 20 100.668 -12.272 39.460 1.00 0.00 C ATOM 1160 CG ARG B 20 99.884 -11.031 39.898 1.00 0.00 C ATOM 1161 CD ARG B 20 100.455 -10.487 41.217 1.00 0.00 C ATOM 1162 NE ARG B 20 99.551 -9.424 41.736 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.657 -8.996 42.963 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.569 -9.490 43.764 1.00 0.00 N ATOM 1165 NH2 ARG B 20 98.850 -8.065 43.374 1.00 0.00 N ATOM 0 H ARG B 20 98.358 -13.209 39.131 1.00 0.00 H new ATOM 0 HA ARG B 20 100.204 -11.910 37.382 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.546 -13.069 40.193 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.733 -12.043 39.412 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.939 -10.265 39.125 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.831 -11.282 40.024 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.548 -11.291 41.947 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.455 -10.085 41.057 1.00 0.00 H new ATOM 0 HE ARG B 20 98.839 -9.025 41.124 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.203 -10.215 43.429 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.645 -9.149 44.722 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.149 -7.682 42.740 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.918 -7.717 44.331 1.00 0.00 H new ATOM 1179 N ALA B 21 100.909 -15.054 38.100 1.00 0.00 N ATOM 1180 CA ALA B 21 101.773 -16.171 37.636 1.00 0.00 C ATOM 1181 C ALA B 21 101.395 -16.524 36.196 1.00 0.00 C ATOM 1182 O ALA B 21 102.240 -16.718 35.343 1.00 0.00 O ATOM 1183 CB ALA B 21 101.569 -17.384 38.550 1.00 0.00 C ATOM 0 H ALA B 21 100.223 -15.296 38.815 1.00 0.00 H new ATOM 0 HA ALA B 21 102.822 -15.876 37.671 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.202 -18.205 38.212 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.836 -17.118 39.573 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.524 -17.693 38.516 1.00 0.00 H new ATOM 1189 N MET B 22 100.121 -16.606 35.929 1.00 0.00 N ATOM 1190 CA MET B 22 99.649 -16.944 34.555 1.00 0.00 C ATOM 1191 C MET B 22 100.127 -15.877 33.560 1.00 0.00 C ATOM 1192 O MET B 22 100.582 -16.185 32.475 1.00 0.00 O ATOM 1193 CB MET B 22 98.124 -16.987 34.574 1.00 0.00 C ATOM 1194 CG MET B 22 97.646 -18.079 35.545 1.00 0.00 C ATOM 1195 SD MET B 22 96.029 -17.620 36.207 1.00 0.00 S ATOM 1196 CE MET B 22 95.251 -17.231 34.629 1.00 0.00 C ATOM 0 H MET B 22 99.378 -16.452 36.611 1.00 0.00 H new ATOM 0 HA MET B 22 100.051 -17.909 34.247 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.727 -16.018 34.878 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.744 -17.187 33.572 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.583 -19.038 35.030 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.363 -18.200 36.357 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.173 -17.368 34.711 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.466 -16.196 34.362 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.643 -17.893 33.857 1.00 0.00 H new ATOM 1206 N ALA B 23 100.026 -14.625 33.916 1.00 0.00 N ATOM 1207 CA ALA B 23 100.486 -13.548 32.986 1.00 0.00 C ATOM 1208 C ALA B 23 101.967 -13.743 32.684 1.00 0.00 C ATOM 1209 O ALA B 23 102.402 -13.629 31.558 1.00 0.00 O ATOM 1210 CB ALA B 23 100.269 -12.173 33.631 1.00 0.00 C ATOM 0 H ALA B 23 99.647 -14.300 34.806 1.00 0.00 H new ATOM 0 HA ALA B 23 99.913 -13.601 32.060 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.606 -11.393 32.948 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.209 -12.035 33.845 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.837 -12.113 34.559 1.00 0.00 H new ATOM 1216 N SER B 24 102.746 -14.039 33.681 1.00 0.00 N ATOM 1217 CA SER B 24 104.198 -14.253 33.444 1.00 0.00 C ATOM 1218 C SER B 24 104.410 -15.555 32.674 1.00 0.00 C ATOM 1219 O SER B 24 105.282 -15.655 31.838 1.00 0.00 O ATOM 1220 CB SER B 24 104.919 -14.324 34.786 1.00 0.00 C ATOM 1221 OG SER B 24 104.675 -13.126 35.508 1.00 0.00 O ATOM 0 H SER B 24 102.442 -14.142 34.649 1.00 0.00 H new ATOM 0 HA SER B 24 104.598 -13.426 32.858 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.569 -15.185 35.356 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.990 -14.458 34.631 1.00 0.00 H new ATOM 0 HG SER B 24 103.803 -13.183 35.952 1.00 0.00 H new ATOM 1227 N ASP B 25 103.616 -16.558 32.958 1.00 0.00 N ATOM 1228 CA ASP B 25 103.770 -17.861 32.245 1.00 0.00 C ATOM 1229 C ASP B 25 103.563 -17.662 30.737 1.00 0.00 C ATOM 1230 O ASP B 25 104.279 -18.222 29.930 1.00 0.00 O ATOM 1231 CB ASP B 25 102.737 -18.860 32.780 1.00 0.00 C ATOM 1232 CG ASP B 25 102.943 -20.222 32.119 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.759 -20.303 31.215 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.262 -21.155 32.519 1.00 0.00 O ATOM 0 H ASP B 25 102.869 -16.530 33.652 1.00 0.00 H new ATOM 0 HA ASP B 25 104.775 -18.247 32.417 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.833 -18.952 33.862 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.729 -18.497 32.580 1.00 0.00 H new ATOM 1239 N PHE B 26 102.589 -16.873 30.359 1.00 0.00 N ATOM 1240 CA PHE B 26 102.310 -16.624 28.906 1.00 0.00 C ATOM 1241 C PHE B 26 102.681 -15.193 28.522 1.00 0.00 C ATOM 1242 O PHE B 26 102.463 -14.768 27.405 1.00 0.00 O ATOM 1243 CB PHE B 26 100.824 -16.854 28.650 1.00 0.00 C ATOM 1244 CG PHE B 26 100.513 -18.304 28.929 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.167 -18.706 30.222 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.592 -19.244 27.895 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.903 -20.054 30.488 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.325 -20.592 28.158 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.979 -20.997 29.454 1.00 0.00 C ATOM 0 H PHE B 26 101.966 -16.383 31.001 1.00 0.00 H new ATOM 0 HA PHE B 26 102.909 -17.306 28.302 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.224 -16.207 29.290 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.573 -16.604 27.619 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.103 -17.976 31.016 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.858 -18.930 26.897 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.641 -20.367 31.488 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.386 -21.320 27.363 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.771 -22.037 29.656 1.00 0.00 H new ATOM 1259 N ASN B 27 103.244 -14.447 29.427 1.00 0.00 N ATOM 1260 CA ASN B 27 103.642 -13.044 29.101 1.00 0.00 C ATOM 1261 C ASN B 27 102.448 -12.275 28.512 1.00 0.00 C ATOM 1262 O ASN B 27 102.572 -11.599 27.513 1.00 0.00 O ATOM 1263 CB ASN B 27 104.787 -13.069 28.083 1.00 0.00 C ATOM 1264 CG ASN B 27 105.976 -13.827 28.663 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.170 -13.859 29.860 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.787 -14.440 27.851 1.00 0.00 N ATOM 0 H ASN B 27 103.448 -14.745 30.381 1.00 0.00 H new ATOM 0 HA ASN B 27 103.967 -12.544 30.013 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.455 -13.545 27.160 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.082 -12.051 27.828 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.589 -14.950 28.220 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.620 -14.411 26.845 1.00 0.00 H new ATOM 1273 N LEU B 28 101.293 -12.369 29.130 1.00 0.00 N ATOM 1274 CA LEU B 28 100.077 -11.643 28.619 1.00 0.00 C ATOM 1275 C LEU B 28 99.681 -10.559 29.633 1.00 0.00 C ATOM 1276 O LEU B 28 99.936 -10.701 30.814 1.00 0.00 O ATOM 1277 CB LEU B 28 98.925 -12.651 28.483 1.00 0.00 C ATOM 1278 CG LEU B 28 99.214 -13.631 27.334 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.222 -14.797 27.397 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.067 -12.931 25.972 1.00 0.00 C ATOM 0 H LEU B 28 101.136 -12.921 29.973 1.00 0.00 H new ATOM 0 HA LEU B 28 100.289 -11.184 27.653 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.799 -13.200 29.416 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.990 -12.123 28.295 1.00 0.00 H new ATOM 0 HG LEU B 28 100.236 -13.995 27.440 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.426 -15.493 26.583 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.328 -15.314 28.351 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.205 -14.415 27.302 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.276 -13.642 25.173 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.050 -12.553 25.865 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.771 -12.101 25.912 1.00 0.00 H new ATOM 1292 N PRO B 29 99.060 -9.485 29.195 1.00 0.00 N ATOM 1293 CA PRO B 29 98.638 -8.388 30.119 1.00 0.00 C ATOM 1294 C PRO B 29 97.664 -8.920 31.182 1.00 0.00 C ATOM 1295 O PRO B 29 97.086 -9.980 31.024 1.00 0.00 O ATOM 1296 CB PRO B 29 97.958 -7.364 29.190 1.00 0.00 C ATOM 1297 CG PRO B 29 97.596 -8.138 27.960 1.00 0.00 C ATOM 1298 CD PRO B 29 98.683 -9.193 27.797 1.00 0.00 C ATOM 0 HA PRO B 29 99.469 -7.953 30.674 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.074 -6.932 29.659 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.629 -6.539 28.954 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.615 -8.601 28.064 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.550 -7.486 27.088 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.313 -10.080 27.283 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.528 -8.819 27.219 1.00 0.00 H new ATOM 1306 N PRO B 30 97.491 -8.205 32.255 1.00 0.00 N ATOM 1307 CA PRO B 30 96.582 -8.628 33.360 1.00 0.00 C ATOM 1308 C PRO B 30 95.156 -8.875 32.854 1.00 0.00 C ATOM 1309 O PRO B 30 94.473 -9.766 33.300 1.00 0.00 O ATOM 1310 CB PRO B 30 96.616 -7.442 34.351 1.00 0.00 C ATOM 1311 CG PRO B 30 97.187 -6.294 33.572 1.00 0.00 C ATOM 1312 CD PRO B 30 98.126 -6.916 32.540 1.00 0.00 C ATOM 0 HA PRO B 30 96.898 -9.567 33.814 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.617 -7.209 34.721 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.232 -7.673 35.220 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.398 -5.720 33.086 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.725 -5.607 34.226 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.208 -6.299 31.645 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.134 -7.041 32.935 1.00 0.00 H new ATOM 1320 N VAL B 31 94.699 -8.072 31.939 1.00 0.00 N ATOM 1321 CA VAL B 31 93.307 -8.242 31.430 1.00 0.00 C ATOM 1322 C VAL B 31 93.093 -9.650 30.910 1.00 0.00 C ATOM 1323 O VAL B 31 92.108 -10.284 31.227 1.00 0.00 O ATOM 1324 CB VAL B 31 93.063 -7.262 30.282 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.645 -7.434 29.697 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.218 -5.836 30.805 1.00 0.00 C ATOM 0 H VAL B 31 95.225 -7.305 31.520 1.00 0.00 H new ATOM 0 HA VAL B 31 92.617 -8.052 32.252 1.00 0.00 H new ATOM 0 HB VAL B 31 93.789 -7.462 29.494 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.499 -6.725 28.882 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.528 -8.450 29.319 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.905 -7.249 30.476 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.046 -5.130 29.993 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.493 -5.659 31.600 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.226 -5.700 31.197 1.00 0.00 H new ATOM 1336 N VAL B 32 93.968 -10.149 30.092 1.00 0.00 N ATOM 1337 CA VAL B 32 93.728 -11.513 29.573 1.00 0.00 C ATOM 1338 C VAL B 32 93.836 -12.507 30.725 1.00 0.00 C ATOM 1339 O VAL B 32 93.009 -13.380 30.887 1.00 0.00 O ATOM 1340 CB VAL B 32 94.738 -11.854 28.487 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.475 -13.273 27.989 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.584 -10.874 27.323 1.00 0.00 C ATOM 0 H VAL B 32 94.817 -9.686 29.768 1.00 0.00 H new ATOM 0 HA VAL B 32 92.731 -11.565 29.136 1.00 0.00 H new ATOM 0 HB VAL B 32 95.748 -11.784 28.890 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.195 -13.525 27.210 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.577 -13.974 28.817 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.465 -13.335 27.583 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.307 -11.117 26.544 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.575 -10.947 26.917 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.760 -9.858 27.677 1.00 0.00 H new ATOM 1352 N ALA B 33 94.848 -12.379 31.538 1.00 0.00 N ATOM 1353 CA ALA B 33 94.991 -13.318 32.676 1.00 0.00 C ATOM 1354 C ALA B 33 93.883 -13.079 33.711 1.00 0.00 C ATOM 1355 O ALA B 33 93.271 -14.012 34.191 1.00 0.00 O ATOM 1356 CB ALA B 33 96.362 -13.117 33.321 1.00 0.00 C ATOM 0 H ALA B 33 95.576 -11.668 31.461 1.00 0.00 H new ATOM 0 HA ALA B 33 94.904 -14.341 32.311 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.474 -13.805 34.159 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.142 -13.311 32.585 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.449 -12.091 33.679 1.00 0.00 H new ATOM 1362 N LYS B 34 93.620 -11.846 34.060 1.00 0.00 N ATOM 1363 CA LYS B 34 92.550 -11.579 35.064 1.00 0.00 C ATOM 1364 C LYS B 34 91.199 -12.074 34.555 1.00 0.00 C ATOM 1365 O LYS B 34 90.364 -12.510 35.322 1.00 0.00 O ATOM 1366 CB LYS B 34 92.464 -10.083 35.366 1.00 0.00 C ATOM 1367 CG LYS B 34 93.692 -9.653 36.173 1.00 0.00 C ATOM 1368 CD LYS B 34 93.642 -8.140 36.429 1.00 0.00 C ATOM 1369 CE LYS B 34 92.556 -7.810 37.459 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.796 -6.449 37.996 1.00 0.00 N ATOM 0 H LYS B 34 94.096 -11.020 33.696 1.00 0.00 H new ATOM 0 HA LYS B 34 92.803 -12.116 35.978 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.410 -9.516 34.437 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.554 -9.866 35.925 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.722 -10.191 37.121 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.603 -9.910 35.632 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.611 -7.793 36.788 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.440 -7.613 35.496 1.00 0.00 H new ATOM 0 HE2 LYS B 34 91.570 -7.864 36.997 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.569 -8.541 38.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.063 -6.218 38.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.731 -6.415 38.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.763 -5.758 37.219 1.00 0.00 H new ATOM 1384 N GLU B 35 90.961 -11.999 33.279 1.00 0.00 N ATOM 1385 CA GLU B 35 89.645 -12.458 32.768 1.00 0.00 C ATOM 1386 C GLU B 35 89.482 -13.946 33.051 1.00 0.00 C ATOM 1387 O GLU B 35 88.420 -14.411 33.404 1.00 0.00 O ATOM 1388 CB GLU B 35 89.551 -12.203 31.265 1.00 0.00 C ATOM 1389 CG GLU B 35 88.089 -12.317 30.801 1.00 0.00 C ATOM 1390 CD GLU B 35 87.668 -13.788 30.739 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.544 -14.641 30.745 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.477 -14.039 30.685 1.00 0.00 O ATOM 0 H GLU B 35 91.610 -11.645 32.577 1.00 0.00 H new ATOM 0 HA GLU B 35 88.851 -11.905 33.270 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.939 -11.211 31.031 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.169 -12.922 30.727 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.439 -11.773 31.486 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.974 -11.856 29.820 1.00 0.00 H new ATOM 1399 N ILE B 36 90.527 -14.704 32.893 1.00 0.00 N ATOM 1400 CA ILE B 36 90.419 -16.156 33.166 1.00 0.00 C ATOM 1401 C ILE B 36 90.005 -16.343 34.618 1.00 0.00 C ATOM 1402 O ILE B 36 89.211 -17.199 34.941 1.00 0.00 O ATOM 1403 CB ILE B 36 91.759 -16.834 32.907 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.124 -16.685 31.426 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.651 -18.323 33.267 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.520 -17.263 31.173 1.00 0.00 C ATOM 0 H ILE B 36 91.445 -14.382 32.588 1.00 0.00 H new ATOM 0 HA ILE B 36 89.675 -16.607 32.509 1.00 0.00 H new ATOM 0 HB ILE B 36 92.533 -16.369 33.518 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.390 -17.201 30.808 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.099 -15.633 31.140 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.608 -18.812 33.083 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.388 -18.425 34.320 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.881 -18.791 32.654 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.773 -17.154 30.118 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.251 -16.728 31.779 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.531 -18.319 31.441 1.00 0.00 H new ATOM 1418 N VAL B 37 90.525 -15.532 35.500 1.00 0.00 N ATOM 1419 CA VAL B 37 90.142 -15.661 36.933 1.00 0.00 C ATOM 1420 C VAL B 37 88.654 -15.358 37.071 1.00 0.00 C ATOM 1421 O VAL B 37 87.943 -16.007 37.805 1.00 0.00 O ATOM 1422 CB VAL B 37 90.942 -14.670 37.790 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.539 -14.839 39.256 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.445 -14.948 37.649 1.00 0.00 C ATOM 0 H VAL B 37 91.194 -14.791 35.291 1.00 0.00 H new ATOM 0 HA VAL B 37 90.357 -16.674 37.274 1.00 0.00 H new ATOM 0 HB VAL B 37 90.731 -13.654 37.456 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.103 -14.138 39.872 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.473 -14.641 39.365 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.754 -15.858 39.577 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.005 -14.240 38.260 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.660 -15.964 37.981 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.739 -14.838 36.605 1.00 0.00 H new ATOM 1434 N ALA B 38 88.177 -14.379 36.355 1.00 0.00 N ATOM 1435 CA ALA B 38 86.730 -14.043 36.428 1.00 0.00 C ATOM 1436 C ALA B 38 85.908 -15.255 35.965 1.00 0.00 C ATOM 1437 O ALA B 38 84.796 -15.473 36.405 1.00 0.00 O ATOM 1438 CB ALA B 38 86.430 -12.833 35.534 1.00 0.00 C ATOM 0 H ALA B 38 88.727 -13.798 35.723 1.00 0.00 H new ATOM 0 HA ALA B 38 86.463 -13.794 37.455 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.369 -12.592 35.592 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.015 -11.977 35.871 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.693 -13.069 34.503 1.00 0.00 H new ATOM 1444 N SER B 39 86.452 -16.041 35.079 1.00 0.00 N ATOM 1445 CA SER B 39 85.717 -17.234 34.585 1.00 0.00 C ATOM 1446 C SER B 39 85.799 -18.334 35.633 1.00 0.00 C ATOM 1447 O SER B 39 84.951 -19.202 35.710 1.00 0.00 O ATOM 1448 CB SER B 39 86.353 -17.728 33.286 1.00 0.00 C ATOM 1449 OG SER B 39 86.305 -16.695 32.314 1.00 0.00 O ATOM 0 H SER B 39 87.379 -15.906 34.675 1.00 0.00 H new ATOM 0 HA SER B 39 84.675 -16.971 34.400 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.386 -18.026 33.465 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.825 -18.609 32.922 1.00 0.00 H new ATOM 0 HG SER B 39 86.914 -15.972 32.574 1.00 0.00 H new ATOM 1455 N CYS B 40 86.805 -18.303 36.456 1.00 0.00 N ATOM 1456 CA CYS B 40 86.919 -19.339 37.511 1.00 0.00 C ATOM 1457 C CYS B 40 86.027 -18.932 38.693 1.00 0.00 C ATOM 1458 O CYS B 40 86.374 -18.084 39.486 1.00 0.00 O ATOM 1459 CB CYS B 40 88.376 -19.454 37.980 1.00 0.00 C ATOM 1460 SG CYS B 40 88.475 -20.681 39.309 1.00 0.00 S ATOM 0 H CYS B 40 87.551 -17.607 36.443 1.00 0.00 H new ATOM 0 HA CYS B 40 86.602 -20.304 37.116 1.00 0.00 H new ATOM 0 HB2 CYS B 40 89.017 -19.748 37.149 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.735 -18.487 38.333 1.00 0.00 H new ATOM 0 HG CYS B 40 89.355 -20.300 40.187 1.00 0.00 H new ATOM 1465 N ASP B 41 84.865 -19.519 38.807 1.00 0.00 N ATOM 1466 CA ASP B 41 83.945 -19.156 39.926 1.00 0.00 C ATOM 1467 C ASP B 41 84.601 -19.439 41.281 1.00 0.00 C ATOM 1468 O ASP B 41 84.316 -18.786 42.259 1.00 0.00 O ATOM 1469 CB ASP B 41 82.642 -19.957 39.812 1.00 0.00 C ATOM 1470 CG ASP B 41 81.802 -19.421 38.645 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.057 -18.313 38.212 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.905 -20.129 38.205 1.00 0.00 O ATOM 0 H ASP B 41 84.512 -20.236 38.173 1.00 0.00 H new ATOM 0 HA ASP B 41 83.727 -18.090 39.858 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.866 -21.012 39.656 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.077 -19.885 40.742 1.00 0.00 H new ATOM 1477 N LYS B 42 85.465 -20.421 41.357 1.00 0.00 N ATOM 1478 CA LYS B 42 86.110 -20.749 42.666 1.00 0.00 C ATOM 1479 C LYS B 42 87.095 -19.650 43.086 1.00 0.00 C ATOM 1480 O LYS B 42 87.174 -19.299 44.247 1.00 0.00 O ATOM 1481 CB LYS B 42 86.842 -22.091 42.554 1.00 0.00 C ATOM 1482 CG LYS B 42 85.836 -23.190 42.203 1.00 0.00 C ATOM 1483 CD LYS B 42 86.550 -24.542 42.175 1.00 0.00 C ATOM 1484 CE LYS B 42 85.595 -25.613 41.652 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.313 -26.916 41.551 1.00 0.00 N ATOM 0 H LYS B 42 85.751 -21.007 40.573 1.00 0.00 H new ATOM 0 HA LYS B 42 85.333 -20.817 43.427 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.616 -22.033 41.789 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.341 -22.326 43.494 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.029 -23.207 42.936 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.382 -22.986 41.233 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.433 -24.485 41.539 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.894 -24.804 43.175 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.739 -25.709 42.320 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.207 -25.323 40.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.662 -27.644 41.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.116 -26.820 40.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.662 -27.194 42.490 1.00 0.00 H new ATOM 1499 N CYS B 43 87.847 -19.104 42.171 1.00 0.00 N ATOM 1500 CA CYS B 43 88.820 -18.030 42.551 1.00 0.00 C ATOM 1501 C CYS B 43 88.102 -16.677 42.624 1.00 0.00 C ATOM 1502 O CYS B 43 88.543 -15.765 43.297 1.00 0.00 O ATOM 1503 CB CYS B 43 89.924 -17.969 41.500 1.00 0.00 C ATOM 1504 SG CYS B 43 91.044 -19.382 41.704 1.00 0.00 S ATOM 0 H CYS B 43 87.834 -19.350 41.181 1.00 0.00 H new ATOM 0 HA CYS B 43 89.250 -18.254 43.527 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.489 -17.979 40.501 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.479 -17.036 41.596 1.00 0.00 H new ATOM 0 HG CYS B 43 91.331 -19.880 40.538 1.00 0.00 H new ATOM 1509 N GLN B 44 87.003 -16.537 41.934 1.00 0.00 N ATOM 1510 CA GLN B 44 86.263 -15.242 41.965 1.00 0.00 C ATOM 1511 C GLN B 44 85.504 -15.118 43.290 1.00 0.00 C ATOM 1512 O GLN B 44 85.876 -14.358 44.158 1.00 0.00 O ATOM 1513 CB GLN B 44 85.270 -15.212 40.808 1.00 0.00 C ATOM 1514 CG GLN B 44 84.652 -13.822 40.694 1.00 0.00 C ATOM 1515 CD GLN B 44 83.686 -13.800 39.504 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.733 -13.053 39.493 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.896 -14.602 38.498 1.00 0.00 N ATOM 0 H GLN B 44 86.585 -17.262 41.351 1.00 0.00 H new ATOM 0 HA GLN B 44 86.965 -14.414 41.873 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.774 -15.474 39.877 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.489 -15.955 40.968 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.123 -13.569 41.613 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.432 -13.073 40.559 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.699 -15.231 38.507 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.258 -14.600 37.702 1.00 0.00 H new