USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -3.4 F(o=-16!,f=-6.6) USER MOD Set 1.2: B 44 GLN : amide:sc= -3.25 K(o=-6.6,f=-16!) USER MOD Single : A 1 PHE N :NH3+ 174:sc= 0.271 (180deg=0.215) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ -117:sc= -1.46 (180deg=-3.78!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -90:sc= 0.936 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.308 (180deg=-1.28) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 120:sc= 0.635 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ -176:sc= 0.191 (180deg=0.18) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ -113:sc= -1.52 (180deg=-3.92!) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -92:sc= 0.906 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 22 MET CE :methyl 162:sc= -0.209 (180deg=-1.21) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.6!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 109:sc= 0.569 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.436 -3.942 25.069 1.00 0.00 N ATOM 2 CA PHE A 1 93.992 -4.062 25.409 1.00 0.00 C ATOM 3 C PHE A 1 93.653 -3.036 26.493 1.00 0.00 C ATOM 4 O PHE A 1 92.571 -2.483 26.526 1.00 0.00 O ATOM 5 CB PHE A 1 93.664 -5.481 25.890 1.00 0.00 C ATOM 6 CG PHE A 1 94.475 -6.478 25.090 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.263 -6.612 23.713 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.463 -7.241 25.722 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.035 -7.516 22.972 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.236 -8.141 24.984 1.00 0.00 C ATOM 11 CZ PHE A 1 96.024 -8.281 23.609 1.00 0.00 C ATOM 0 H1 PHE A 1 95.701 -4.700 24.408 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.612 -3.018 24.625 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.005 -4.023 25.936 1.00 0.00 H new ATOM 0 HA PHE A 1 93.393 -3.867 24.520 1.00 0.00 H new ATOM 0 HB2 PHE A 1 93.890 -5.579 26.952 1.00 0.00 H new ATOM 0 HB3 PHE A 1 92.599 -5.681 25.771 1.00 0.00 H new ATOM 0 HD1 PHE A 1 93.505 -6.019 23.222 1.00 0.00 H new ATOM 0 HD2 PHE A 1 95.629 -7.134 26.784 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.869 -7.624 21.910 1.00 0.00 H new ATOM 0 HE2 PHE A 1 96.997 -8.729 25.476 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.621 -8.977 23.038 1.00 0.00 H new ATOM 23 N LEU A 2 94.565 -2.800 27.398 1.00 0.00 N ATOM 24 CA LEU A 2 94.296 -1.831 28.499 1.00 0.00 C ATOM 25 C LEU A 2 93.931 -0.468 27.907 1.00 0.00 C ATOM 26 O LEU A 2 93.039 0.204 28.387 1.00 0.00 O ATOM 27 CB LEU A 2 95.567 -1.677 29.348 1.00 0.00 C ATOM 28 CG LEU A 2 95.867 -2.976 30.112 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.290 -2.908 30.675 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.876 -3.156 31.275 1.00 0.00 C ATOM 0 H LEU A 2 95.486 -3.237 27.422 1.00 0.00 H new ATOM 0 HA LEU A 2 93.472 -2.196 29.112 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.411 -1.423 28.707 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.443 -0.855 30.053 1.00 0.00 H new ATOM 0 HG LEU A 2 95.769 -3.819 29.428 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.510 -3.827 31.219 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.000 -2.792 29.856 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.373 -2.057 31.351 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.102 -4.081 31.806 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.963 -2.313 31.961 1.00 0.00 H new ATOM 0 HD23 LEU A 2 93.860 -3.202 30.883 1.00 0.00 H new ATOM 42 N ASP A 3 94.597 -0.057 26.868 1.00 0.00 N ATOM 43 CA ASP A 3 94.264 1.259 26.254 1.00 0.00 C ATOM 44 C ASP A 3 92.825 1.220 25.735 1.00 0.00 C ATOM 45 O ASP A 3 92.058 2.143 25.926 1.00 0.00 O ATOM 46 CB ASP A 3 95.221 1.531 25.094 1.00 0.00 C ATOM 47 CG ASP A 3 94.899 2.890 24.467 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.734 3.140 24.204 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.825 3.658 24.261 1.00 0.00 O ATOM 0 H ASP A 3 95.354 -0.571 26.417 1.00 0.00 H new ATOM 0 HA ASP A 3 94.362 2.050 26.997 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.251 1.519 25.449 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.133 0.744 24.345 1.00 0.00 H new ATOM 54 N GLY A 4 92.456 0.151 25.085 1.00 0.00 N ATOM 55 CA GLY A 4 91.066 0.036 24.556 1.00 0.00 C ATOM 56 C GLY A 4 90.085 -0.010 25.726 1.00 0.00 C ATOM 57 O GLY A 4 88.990 0.511 25.659 1.00 0.00 O ATOM 0 H GLY A 4 93.058 -0.650 24.896 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.839 0.883 23.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.969 -0.864 23.949 1.00 0.00 H new ATOM 61 N ILE A 5 90.479 -0.631 26.801 1.00 0.00 N ATOM 62 CA ILE A 5 89.589 -0.720 27.990 1.00 0.00 C ATOM 63 C ILE A 5 89.365 0.679 28.570 1.00 0.00 C ATOM 64 O ILE A 5 88.282 1.007 29.011 1.00 0.00 O ATOM 65 CB ILE A 5 90.226 -1.642 29.037 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.115 -3.094 28.552 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.507 -1.489 30.385 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.006 -4.004 29.402 1.00 0.00 C ATOM 0 H ILE A 5 91.387 -1.084 26.908 1.00 0.00 H new ATOM 0 HA ILE A 5 88.624 -1.134 27.698 1.00 0.00 H new ATOM 0 HB ILE A 5 91.274 -1.373 29.169 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.079 -3.427 28.613 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.410 -3.159 27.505 1.00 0.00 H new ATOM 0 HG21 ILE A 5 89.968 -2.148 31.120 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.586 -0.456 30.724 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.456 -1.754 30.269 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.919 -5.031 29.049 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.043 -3.678 29.319 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.691 -3.951 30.444 1.00 0.00 H new ATOM 80 N ASP A 6 90.372 1.503 28.581 1.00 0.00 N ATOM 81 CA ASP A 6 90.190 2.869 29.143 1.00 0.00 C ATOM 82 C ASP A 6 89.108 3.596 28.349 1.00 0.00 C ATOM 83 O ASP A 6 88.256 4.257 28.909 1.00 0.00 O ATOM 84 CB ASP A 6 91.507 3.645 29.038 1.00 0.00 C ATOM 85 CG ASP A 6 91.317 5.054 29.603 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.571 5.814 29.007 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.924 5.350 30.618 1.00 0.00 O ATOM 0 H ASP A 6 91.306 1.294 28.229 1.00 0.00 H new ATOM 0 HA ASP A 6 89.894 2.799 30.190 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.292 3.125 29.586 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.827 3.699 27.998 1.00 0.00 H new ATOM 92 N LYS A 7 89.118 3.468 27.054 1.00 0.00 N ATOM 93 CA LYS A 7 88.070 4.144 26.241 1.00 0.00 C ATOM 94 C LYS A 7 86.724 3.451 26.485 1.00 0.00 C ATOM 95 O LYS A 7 85.696 4.085 26.617 1.00 0.00 O ATOM 96 CB LYS A 7 88.429 4.033 24.758 1.00 0.00 C ATOM 97 CG LYS A 7 89.648 4.905 24.448 1.00 0.00 C ATOM 98 CD LYS A 7 89.993 4.782 22.962 1.00 0.00 C ATOM 99 CE LYS A 7 91.211 5.649 22.638 1.00 0.00 C ATOM 100 NZ LYS A 7 91.677 5.351 21.253 1.00 0.00 N ATOM 0 H LYS A 7 89.802 2.928 26.524 1.00 0.00 H new ATOM 0 HA LYS A 7 88.005 5.194 26.525 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.640 2.994 24.503 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.583 4.346 24.146 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.439 5.945 24.700 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.497 4.594 25.057 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.200 3.741 22.712 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.143 5.093 22.355 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.954 6.704 22.728 1.00 0.00 H new ATOM 0 HE3 LYS A 7 92.011 5.454 23.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.505 5.940 21.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.937 4.347 21.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.914 5.559 20.578 1.00 0.00 H new ATOM 114 N ALA A 8 86.734 2.145 26.544 1.00 0.00 N ATOM 115 CA ALA A 8 85.470 1.381 26.778 1.00 0.00 C ATOM 116 C ALA A 8 84.991 1.569 28.220 1.00 0.00 C ATOM 117 O ALA A 8 83.809 1.524 28.502 1.00 0.00 O ATOM 118 CB ALA A 8 85.720 -0.106 26.517 1.00 0.00 C ATOM 0 H ALA A 8 87.570 1.569 26.439 1.00 0.00 H new ATOM 0 HA ALA A 8 84.702 1.754 26.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.800 -0.665 26.687 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.044 -0.245 25.485 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.495 -0.469 27.192 1.00 0.00 H new ATOM 124 N GLN A 9 85.898 1.755 29.138 1.00 0.00 N ATOM 125 CA GLN A 9 85.496 1.916 30.564 1.00 0.00 C ATOM 126 C GLN A 9 84.581 3.134 30.694 1.00 0.00 C ATOM 127 O GLN A 9 84.796 4.155 30.071 1.00 0.00 O ATOM 128 CB GLN A 9 86.756 2.111 31.418 1.00 0.00 C ATOM 129 CG GLN A 9 86.375 2.263 32.893 1.00 0.00 C ATOM 130 CD GLN A 9 87.644 2.447 33.728 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.741 2.276 33.234 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.543 2.777 34.987 1.00 0.00 N ATOM 0 H GLN A 9 86.902 1.803 28.963 1.00 0.00 H new ATOM 0 HA GLN A 9 84.961 1.030 30.906 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.424 1.259 31.293 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.299 2.994 31.082 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.713 3.119 33.023 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.828 1.383 33.231 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.623 2.921 35.404 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.384 2.891 35.553 1.00 0.00 H new ATOM 141 N GLU A 10 83.558 3.030 31.496 1.00 0.00 N ATOM 142 CA GLU A 10 82.619 4.175 31.662 1.00 0.00 C ATOM 143 C GLU A 10 81.710 3.917 32.865 1.00 0.00 C ATOM 144 O GLU A 10 81.571 2.800 33.321 1.00 0.00 O ATOM 145 CB GLU A 10 81.767 4.331 30.398 1.00 0.00 C ATOM 146 CG GLU A 10 80.969 5.635 30.478 1.00 0.00 C ATOM 147 CD GLU A 10 80.321 5.926 29.124 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.577 5.180 28.194 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.578 6.891 29.041 1.00 0.00 O ATOM 0 H GLU A 10 83.331 2.200 32.044 1.00 0.00 H new ATOM 0 HA GLU A 10 83.189 5.090 31.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.405 4.337 29.515 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.089 3.483 30.296 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.203 5.557 31.249 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.625 6.458 30.762 1.00 0.00 H new ATOM 156 N GLU A 11 81.099 4.948 33.385 1.00 0.00 N ATOM 157 CA GLU A 11 80.200 4.784 34.566 1.00 0.00 C ATOM 158 C GLU A 11 79.306 3.554 34.371 1.00 0.00 C ATOM 159 O GLU A 11 79.101 3.092 33.267 1.00 0.00 O ATOM 160 CB GLU A 11 79.329 6.036 34.710 1.00 0.00 C ATOM 161 CG GLU A 11 78.457 5.921 35.961 1.00 0.00 C ATOM 162 CD GLU A 11 77.745 7.252 36.210 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.355 8.125 36.805 1.00 0.00 O ATOM 164 OE2 GLU A 11 76.602 7.376 35.803 1.00 0.00 O ATOM 0 H GLU A 11 81.184 5.904 33.040 1.00 0.00 H new ATOM 0 HA GLU A 11 80.800 4.648 35.466 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.959 6.923 34.776 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.701 6.156 33.828 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.725 5.123 35.835 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.071 5.658 36.822 1.00 0.00 H new ATOM 171 N HIS A 12 78.778 3.016 35.438 1.00 0.00 N ATOM 172 CA HIS A 12 77.907 1.814 35.310 1.00 0.00 C ATOM 173 C HIS A 12 76.600 2.202 34.625 1.00 0.00 C ATOM 174 O HIS A 12 75.555 2.272 35.241 1.00 0.00 O ATOM 175 CB HIS A 12 77.609 1.252 36.698 1.00 0.00 C ATOM 176 CG HIS A 12 76.648 0.100 36.585 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.063 -1.192 36.285 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.288 0.026 36.754 1.00 0.00 C ATOM 179 CE1 HIS A 12 75.970 -1.981 36.292 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.866 -1.286 36.571 1.00 0.00 N ATOM 0 H HIS A 12 78.912 3.357 36.390 1.00 0.00 H new ATOM 0 HA HIS A 12 78.417 1.057 34.714 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.533 0.922 37.173 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.185 2.030 37.332 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.644 0.860 36.993 1.00 0.00 H new ATOM 0 HE1 HIS A 12 75.986 -3.043 36.096 1.00 0.00 H new ATOM 0 HE2 HIS A 12 73.913 -1.642 36.636 1.00 0.00 H new ATOM 188 N GLU A 13 76.658 2.449 33.348 1.00 0.00 N ATOM 189 CA GLU A 13 75.432 2.828 32.594 1.00 0.00 C ATOM 190 C GLU A 13 74.664 1.564 32.208 1.00 0.00 C ATOM 191 O GLU A 13 75.041 0.465 32.558 1.00 0.00 O ATOM 192 CB GLU A 13 75.832 3.586 31.330 1.00 0.00 C ATOM 193 CG GLU A 13 76.410 4.950 31.712 1.00 0.00 C ATOM 194 CD GLU A 13 76.813 5.707 30.444 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.662 5.147 29.370 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.266 6.833 30.570 1.00 0.00 O ATOM 0 H GLU A 13 77.510 2.404 32.789 1.00 0.00 H new ATOM 0 HA GLU A 13 74.800 3.462 33.216 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.568 3.012 30.767 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.965 3.715 30.682 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.673 5.525 32.273 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.276 4.821 32.362 1.00 0.00 H new ATOM 203 N LYS A 14 73.593 1.713 31.479 1.00 0.00 N ATOM 204 CA LYS A 14 72.805 0.520 31.059 1.00 0.00 C ATOM 205 C LYS A 14 73.647 -0.300 30.083 1.00 0.00 C ATOM 206 O LYS A 14 73.510 -1.502 29.980 1.00 0.00 O ATOM 207 CB LYS A 14 71.523 0.971 30.359 1.00 0.00 C ATOM 208 CG LYS A 14 70.576 1.601 31.382 1.00 0.00 C ATOM 209 CD LYS A 14 69.239 1.930 30.711 1.00 0.00 C ATOM 210 CE LYS A 14 69.445 2.959 29.590 1.00 0.00 C ATOM 211 NZ LYS A 14 69.812 2.254 28.328 1.00 0.00 N ATOM 0 H LYS A 14 73.229 2.609 31.156 1.00 0.00 H new ATOM 0 HA LYS A 14 72.546 -0.079 31.932 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.758 1.690 29.575 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.041 0.120 29.877 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.417 0.917 32.215 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.020 2.507 31.794 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.796 1.022 30.303 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.540 2.322 31.450 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.534 3.539 29.443 1.00 0.00 H new ATOM 0 HE3 LYS A 14 70.230 3.662 29.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 70.767 2.542 28.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.794 1.226 28.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.131 2.501 27.582 1.00 0.00 H new ATOM 225 N TYR A 15 74.518 0.351 29.363 1.00 0.00 N ATOM 226 CA TYR A 15 75.375 -0.373 28.386 1.00 0.00 C ATOM 227 C TYR A 15 76.169 -1.458 29.119 1.00 0.00 C ATOM 228 O TYR A 15 76.481 -2.491 28.560 1.00 0.00 O ATOM 229 CB TYR A 15 76.325 0.622 27.711 1.00 0.00 C ATOM 230 CG TYR A 15 75.556 1.417 26.679 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.871 2.580 27.053 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.521 0.983 25.348 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.149 3.306 26.097 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.802 1.711 24.392 1.00 0.00 C ATOM 235 CZ TYR A 15 74.116 2.871 24.766 1.00 0.00 C ATOM 236 OH TYR A 15 73.405 3.587 23.824 1.00 0.00 O ATOM 0 H TYR A 15 74.673 1.358 29.410 1.00 0.00 H new ATOM 0 HA TYR A 15 74.756 -0.843 27.622 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.759 1.291 28.454 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.151 0.091 27.238 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.899 2.917 28.079 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.049 0.086 25.059 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.618 4.201 26.386 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.777 1.377 23.365 1.00 0.00 H new ATOM 0 HH TYR A 15 73.487 3.150 22.951 1.00 0.00 H new ATOM 246 N HIS A 16 76.476 -1.251 30.372 1.00 0.00 N ATOM 247 CA HIS A 16 77.222 -2.296 31.132 1.00 0.00 C ATOM 248 C HIS A 16 76.389 -3.582 31.145 1.00 0.00 C ATOM 249 O HIS A 16 76.914 -4.671 31.024 1.00 0.00 O ATOM 250 CB HIS A 16 77.466 -1.828 32.579 1.00 0.00 C ATOM 251 CG HIS A 16 78.717 -0.992 32.660 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.468 -0.901 33.828 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.376 -0.231 31.728 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.529 -0.113 33.566 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.517 0.320 32.303 1.00 0.00 N ATOM 0 H HIS A 16 76.244 -0.409 30.899 1.00 0.00 H new ATOM 0 HA HIS A 16 78.185 -2.476 30.655 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.611 -1.249 32.929 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.556 -2.693 33.237 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.058 -0.083 30.706 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.293 0.137 34.287 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.202 0.928 31.853 1.00 0.00 H new ATOM 263 N SER A 17 75.098 -3.469 31.298 1.00 0.00 N ATOM 264 CA SER A 17 74.251 -4.694 31.325 1.00 0.00 C ATOM 265 C SER A 17 74.416 -5.443 30.003 1.00 0.00 C ATOM 266 O SER A 17 74.534 -6.652 29.979 1.00 0.00 O ATOM 267 CB SER A 17 72.786 -4.291 31.505 1.00 0.00 C ATOM 268 OG SER A 17 72.350 -3.582 30.353 1.00 0.00 O ATOM 0 H SER A 17 74.596 -2.587 31.405 1.00 0.00 H new ATOM 0 HA SER A 17 74.554 -5.337 32.151 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.169 -5.177 31.656 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.674 -3.669 32.393 1.00 0.00 H new ATOM 0 HG SER A 17 72.510 -2.623 30.479 1.00 0.00 H new ATOM 274 N ASN A 18 74.448 -4.735 28.903 1.00 0.00 N ATOM 275 CA ASN A 18 74.635 -5.402 27.578 1.00 0.00 C ATOM 276 C ASN A 18 76.097 -5.259 27.150 1.00 0.00 C ATOM 277 O ASN A 18 76.474 -4.294 26.516 1.00 0.00 O ATOM 278 CB ASN A 18 73.734 -4.731 26.541 1.00 0.00 C ATOM 279 CG ASN A 18 72.275 -4.860 26.979 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.820 -5.937 27.309 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.518 -3.798 27.000 1.00 0.00 N ATOM 0 H ASN A 18 74.352 -3.720 28.865 1.00 0.00 H new ATOM 0 HA ASN A 18 74.375 -6.458 27.655 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.002 -3.680 26.435 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.875 -5.196 25.565 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.544 -3.872 27.294 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.900 -2.894 26.723 1.00 0.00 H new ATOM 288 N TRP A 19 76.924 -6.208 27.487 1.00 0.00 N ATOM 289 CA TRP A 19 78.356 -6.118 27.091 1.00 0.00 C ATOM 290 C TRP A 19 78.492 -6.337 25.582 1.00 0.00 C ATOM 291 O TRP A 19 79.458 -5.925 24.971 1.00 0.00 O ATOM 292 CB TRP A 19 79.180 -7.162 27.848 1.00 0.00 C ATOM 293 CG TRP A 19 78.727 -8.532 27.471 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.858 -9.286 28.183 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.100 -9.321 26.307 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.679 -10.491 27.532 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.421 -10.561 26.370 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.954 -9.086 25.214 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.584 -11.532 25.385 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.118 -10.062 24.219 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.434 -11.284 24.304 1.00 0.00 C ATOM 0 H TRP A 19 76.671 -7.041 28.019 1.00 0.00 H new ATOM 0 HA TRP A 19 78.731 -5.126 27.343 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.238 -7.042 27.616 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.071 -7.016 28.923 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.383 -8.994 29.108 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.072 -11.238 27.869 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.486 -8.149 25.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.056 -12.472 25.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.775 -9.871 23.383 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.564 -12.032 23.535 1.00 0.00 H new ATOM 312 N ARG A 20 77.543 -7.003 24.976 1.00 0.00 N ATOM 313 CA ARG A 20 77.640 -7.262 23.510 1.00 0.00 C ATOM 314 C ARG A 20 77.693 -5.931 22.754 1.00 0.00 C ATOM 315 O ARG A 20 78.432 -5.778 21.802 1.00 0.00 O ATOM 316 CB ARG A 20 76.408 -8.045 23.042 1.00 0.00 C ATOM 317 CG ARG A 20 76.433 -9.456 23.633 1.00 0.00 C ATOM 318 CD ARG A 20 75.198 -10.230 23.157 1.00 0.00 C ATOM 319 NE ARG A 20 73.942 -9.501 23.544 1.00 0.00 N ATOM 320 CZ ARG A 20 73.656 -9.223 24.788 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.377 -9.707 25.761 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.606 -8.497 25.062 1.00 0.00 N ATOM 0 H ARG A 20 76.710 -7.377 25.431 1.00 0.00 H new ATOM 0 HA ARG A 20 78.544 -7.838 23.311 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.499 -7.528 23.350 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.391 -8.097 21.953 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.341 -9.975 23.326 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.447 -9.406 24.722 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.234 -10.356 22.075 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.196 -11.229 23.594 1.00 0.00 H new ATOM 0 HE ARG A 20 73.292 -9.214 22.812 1.00 0.00 H new ATOM 0 HH11 ARG A 20 75.174 -10.309 25.554 1.00 0.00 H new ATOM 0 HH12 ARG A 20 74.144 -9.483 26.728 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.014 -8.150 24.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.377 -8.276 26.031 1.00 0.00 H new ATOM 336 N ALA A 21 76.919 -4.969 23.169 1.00 0.00 N ATOM 337 CA ALA A 21 76.934 -3.650 22.472 1.00 0.00 C ATOM 338 C ALA A 21 78.339 -3.048 22.539 1.00 0.00 C ATOM 339 O ALA A 21 78.876 -2.586 21.552 1.00 0.00 O ATOM 340 CB ALA A 21 75.937 -2.703 23.147 1.00 0.00 C ATOM 0 H ALA A 21 76.277 -5.037 23.959 1.00 0.00 H new ATOM 0 HA ALA A 21 76.652 -3.790 21.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.948 -1.739 22.638 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.936 -3.130 23.093 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.217 -2.564 24.191 1.00 0.00 H new ATOM 346 N MET A 22 78.938 -3.048 23.700 1.00 0.00 N ATOM 347 CA MET A 22 80.307 -2.474 23.839 1.00 0.00 C ATOM 348 C MET A 22 81.294 -3.288 22.999 1.00 0.00 C ATOM 349 O MET A 22 82.144 -2.743 22.324 1.00 0.00 O ATOM 350 CB MET A 22 80.714 -2.512 25.315 1.00 0.00 C ATOM 351 CG MET A 22 82.089 -1.867 25.495 1.00 0.00 C ATOM 352 SD MET A 22 82.449 -1.698 27.263 1.00 0.00 S ATOM 353 CE MET A 22 82.451 -3.460 27.674 1.00 0.00 C ATOM 0 H MET A 22 78.537 -3.422 24.560 1.00 0.00 H new ATOM 0 HA MET A 22 80.315 -1.443 23.487 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.974 -1.986 25.918 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.738 -3.543 25.668 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.854 -2.476 25.014 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.110 -0.889 25.013 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.927 -3.607 28.644 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.425 -3.825 27.714 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.003 -4.011 26.912 1.00 0.00 H new ATOM 363 N ALA A 23 81.182 -4.587 23.023 1.00 0.00 N ATOM 364 CA ALA A 23 82.109 -5.426 22.210 1.00 0.00 C ATOM 365 C ALA A 23 81.841 -5.174 20.724 1.00 0.00 C ATOM 366 O ALA A 23 82.749 -5.092 19.921 1.00 0.00 O ATOM 367 CB ALA A 23 81.877 -6.906 22.536 1.00 0.00 C ATOM 0 H ALA A 23 80.492 -5.103 23.568 1.00 0.00 H new ATOM 0 HA ALA A 23 83.142 -5.166 22.442 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.554 -7.520 21.942 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.065 -7.079 23.596 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.846 -7.173 22.302 1.00 0.00 H new ATOM 373 N SER A 24 80.595 -5.047 20.356 1.00 0.00 N ATOM 374 CA SER A 24 80.261 -4.799 18.925 1.00 0.00 C ATOM 375 C SER A 24 80.719 -3.395 18.534 1.00 0.00 C ATOM 376 O SER A 24 81.231 -3.175 17.454 1.00 0.00 O ATOM 377 CB SER A 24 78.750 -4.915 18.725 1.00 0.00 C ATOM 378 OG SER A 24 78.439 -4.696 17.355 1.00 0.00 O ATOM 0 H SER A 24 79.794 -5.104 20.985 1.00 0.00 H new ATOM 0 HA SER A 24 80.767 -5.536 18.301 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.405 -5.902 19.035 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.232 -4.186 19.348 1.00 0.00 H new ATOM 0 HG SER A 24 77.471 -4.771 17.223 1.00 0.00 H new ATOM 384 N ASP A 25 80.542 -2.442 19.404 1.00 0.00 N ATOM 385 CA ASP A 25 80.969 -1.052 19.083 1.00 0.00 C ATOM 386 C ASP A 25 82.476 -1.033 18.821 1.00 0.00 C ATOM 387 O ASP A 25 82.949 -0.357 17.928 1.00 0.00 O ATOM 388 CB ASP A 25 80.633 -0.126 20.255 1.00 0.00 C ATOM 389 CG ASP A 25 79.120 0.109 20.305 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.458 -0.206 19.330 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.651 0.602 21.318 1.00 0.00 O ATOM 0 H ASP A 25 80.120 -2.565 20.324 1.00 0.00 H new ATOM 0 HA ASP A 25 80.443 -0.705 18.194 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.974 -0.569 21.191 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.156 0.824 20.143 1.00 0.00 H new ATOM 396 N PHE A 26 83.234 -1.771 19.592 1.00 0.00 N ATOM 397 CA PHE A 26 84.718 -1.804 19.394 1.00 0.00 C ATOM 398 C PHE A 26 85.111 -3.060 18.611 1.00 0.00 C ATOM 399 O PHE A 26 86.274 -3.308 18.366 1.00 0.00 O ATOM 400 CB PHE A 26 85.414 -1.810 20.756 1.00 0.00 C ATOM 401 CG PHE A 26 85.289 -0.440 21.384 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.060 -0.014 21.907 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.403 0.410 21.431 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.947 1.261 22.475 1.00 0.00 C ATOM 405 CE2 PHE A 26 86.289 1.683 22.003 1.00 0.00 C ATOM 406 CZ PHE A 26 85.062 2.108 22.523 1.00 0.00 C ATOM 0 H PHE A 26 82.889 -2.355 20.354 1.00 0.00 H new ATOM 0 HA PHE A 26 85.025 -0.922 18.832 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.965 -2.563 21.404 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.465 -2.075 20.640 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.201 -0.668 21.872 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.349 0.083 21.026 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.000 1.591 22.876 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.148 2.336 22.043 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.974 3.091 22.962 1.00 0.00 H new ATOM 416 N ASN A 27 84.149 -3.846 18.210 1.00 0.00 N ATOM 417 CA ASN A 27 84.466 -5.078 17.431 1.00 0.00 C ATOM 418 C ASN A 27 85.512 -5.910 18.173 1.00 0.00 C ATOM 419 O ASN A 27 86.461 -6.393 17.587 1.00 0.00 O ATOM 420 CB ASN A 27 85.009 -4.688 16.054 1.00 0.00 C ATOM 421 CG ASN A 27 83.887 -4.063 15.224 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.732 -4.395 15.394 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.183 -3.160 14.330 1.00 0.00 N ATOM 0 H ASN A 27 83.157 -3.689 18.388 1.00 0.00 H new ATOM 0 HA ASN A 27 83.557 -5.668 17.312 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.833 -3.982 16.162 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.407 -5.566 15.545 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.443 -2.732 13.773 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.154 -2.882 14.188 1.00 0.00 H new ATOM 430 N LEU A 28 85.342 -6.084 19.459 1.00 0.00 N ATOM 431 CA LEU A 28 86.315 -6.890 20.264 1.00 0.00 C ATOM 432 C LEU A 28 85.597 -8.130 20.797 1.00 0.00 C ATOM 433 O LEU A 28 84.401 -8.107 21.005 1.00 0.00 O ATOM 434 CB LEU A 28 86.793 -6.054 21.456 1.00 0.00 C ATOM 435 CG LEU A 28 87.764 -4.956 20.995 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.911 -3.919 22.113 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.148 -5.559 20.675 1.00 0.00 C ATOM 0 H LEU A 28 84.563 -5.699 19.993 1.00 0.00 H new ATOM 0 HA LEU A 28 87.164 -7.177 19.644 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.937 -5.602 21.956 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.285 -6.699 22.185 1.00 0.00 H new ATOM 0 HG LEU A 28 87.369 -4.487 20.094 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.599 -3.136 21.794 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.938 -3.480 22.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.301 -4.402 23.009 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.823 -4.768 20.350 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.552 -6.037 21.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.048 -6.299 19.881 1.00 0.00 H new ATOM 449 N PRO A 29 86.308 -9.203 21.040 1.00 0.00 N ATOM 450 CA PRO A 29 85.688 -10.441 21.583 1.00 0.00 C ATOM 451 C PRO A 29 85.249 -10.227 23.037 1.00 0.00 C ATOM 452 O PRO A 29 85.718 -9.323 23.701 1.00 0.00 O ATOM 453 CB PRO A 29 86.810 -11.486 21.487 1.00 0.00 C ATOM 454 CG PRO A 29 88.072 -10.687 21.538 1.00 0.00 C ATOM 455 CD PRO A 29 87.761 -9.368 20.831 1.00 0.00 C ATOM 0 HA PRO A 29 84.792 -10.745 21.042 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.759 -12.200 22.309 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.740 -12.059 20.562 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.384 -10.514 22.568 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.888 -11.213 21.042 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.325 -8.540 21.259 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.012 -9.411 19.771 1.00 0.00 H new ATOM 463 N PRO A 30 84.356 -11.040 23.526 1.00 0.00 N ATOM 464 CA PRO A 30 83.848 -10.919 24.922 1.00 0.00 C ATOM 465 C PRO A 30 84.987 -10.961 25.949 1.00 0.00 C ATOM 466 O PRO A 30 84.822 -10.576 27.085 1.00 0.00 O ATOM 467 CB PRO A 30 82.907 -12.136 25.084 1.00 0.00 C ATOM 468 CG PRO A 30 83.247 -13.057 23.951 1.00 0.00 C ATOM 469 CD PRO A 30 83.735 -12.164 22.816 1.00 0.00 C ATOM 0 HA PRO A 30 83.344 -9.968 25.095 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.059 -12.625 26.046 1.00 0.00 H new ATOM 0 HB3 PRO A 30 81.861 -11.832 25.043 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.017 -13.770 24.245 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.376 -13.637 23.645 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.449 -12.680 22.174 1.00 0.00 H new ATOM 0 HD3 PRO A 30 82.914 -11.835 22.179 1.00 0.00 H new ATOM 477 N VAL A 31 86.138 -11.430 25.567 1.00 0.00 N ATOM 478 CA VAL A 31 87.256 -11.501 26.547 1.00 0.00 C ATOM 479 C VAL A 31 87.575 -10.105 27.073 1.00 0.00 C ATOM 480 O VAL A 31 87.663 -9.889 28.266 1.00 0.00 O ATOM 481 CB VAL A 31 88.496 -12.085 25.855 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.727 -11.941 26.761 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.251 -13.566 25.553 1.00 0.00 C ATOM 0 H VAL A 31 86.354 -11.765 24.628 1.00 0.00 H new ATOM 0 HA VAL A 31 86.966 -12.138 27.383 1.00 0.00 H new ATOM 0 HB VAL A 31 88.678 -11.543 24.927 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.599 -12.359 26.259 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.901 -10.886 26.973 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.556 -12.476 27.695 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.128 -13.987 25.061 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.065 -14.101 26.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.385 -13.665 24.898 1.00 0.00 H new ATOM 493 N VAL A 32 87.747 -9.156 26.208 1.00 0.00 N ATOM 494 CA VAL A 32 88.055 -7.787 26.688 1.00 0.00 C ATOM 495 C VAL A 32 86.818 -7.206 27.375 1.00 0.00 C ATOM 496 O VAL A 32 86.902 -6.604 28.427 1.00 0.00 O ATOM 497 CB VAL A 32 88.459 -6.912 25.503 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.667 -5.473 25.976 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.761 -7.452 24.898 1.00 0.00 C ATOM 0 H VAL A 32 87.689 -9.265 25.196 1.00 0.00 H new ATOM 0 HA VAL A 32 88.879 -7.819 27.401 1.00 0.00 H new ATOM 0 HB VAL A 32 87.672 -6.930 24.749 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.955 -4.850 25.129 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.740 -5.094 26.407 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.454 -5.448 26.730 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.054 -6.831 24.052 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.548 -7.433 25.652 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.608 -8.477 24.560 1.00 0.00 H new ATOM 509 N ALA A 33 85.668 -7.389 26.788 1.00 0.00 N ATOM 510 CA ALA A 33 84.420 -6.857 27.405 1.00 0.00 C ATOM 511 C ALA A 33 84.127 -7.594 28.717 1.00 0.00 C ATOM 512 O ALA A 33 83.752 -6.992 29.703 1.00 0.00 O ATOM 513 CB ALA A 33 83.251 -7.046 26.434 1.00 0.00 C ATOM 0 H ALA A 33 85.538 -7.885 25.906 1.00 0.00 H new ATOM 0 HA ALA A 33 84.549 -5.796 27.617 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.338 -6.657 26.884 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.456 -6.509 25.508 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.126 -8.107 26.217 1.00 0.00 H new ATOM 519 N LYS A 34 84.298 -8.891 28.740 1.00 0.00 N ATOM 520 CA LYS A 34 84.031 -9.655 29.992 1.00 0.00 C ATOM 521 C LYS A 34 84.968 -9.179 31.105 1.00 0.00 C ATOM 522 O LYS A 34 84.571 -9.067 32.248 1.00 0.00 O ATOM 523 CB LYS A 34 84.205 -11.162 29.751 1.00 0.00 C ATOM 524 CG LYS A 34 83.067 -11.698 28.854 1.00 0.00 C ATOM 525 CD LYS A 34 81.815 -12.002 29.692 1.00 0.00 C ATOM 526 CE LYS A 34 80.723 -12.580 28.786 1.00 0.00 C ATOM 527 NZ LYS A 34 79.531 -12.932 29.610 1.00 0.00 N ATOM 0 H LYS A 34 84.610 -9.451 27.947 1.00 0.00 H new ATOM 0 HA LYS A 34 83.001 -9.475 30.299 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.169 -11.353 29.279 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.206 -11.692 30.704 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.827 -10.964 28.085 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.396 -12.602 28.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.058 -12.710 30.484 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.458 -11.093 30.175 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.448 -11.854 28.021 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.095 -13.464 28.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.789 -13.325 28.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.799 -13.639 30.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.173 -12.079 30.084 1.00 0.00 H new ATOM 541 N GLU A 35 86.209 -8.909 30.796 1.00 0.00 N ATOM 542 CA GLU A 35 87.141 -8.457 31.867 1.00 0.00 C ATOM 543 C GLU A 35 86.605 -7.165 32.485 1.00 0.00 C ATOM 544 O GLU A 35 86.645 -6.979 33.684 1.00 0.00 O ATOM 545 CB GLU A 35 88.523 -8.192 31.263 1.00 0.00 C ATOM 546 CG GLU A 35 89.520 -7.837 32.374 1.00 0.00 C ATOM 547 CD GLU A 35 89.337 -6.373 32.791 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.147 -5.546 31.915 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.391 -6.107 33.981 1.00 0.00 O ATOM 0 H GLU A 35 86.612 -8.981 29.862 1.00 0.00 H new ATOM 0 HA GLU A 35 87.220 -9.229 32.633 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.868 -9.073 30.721 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.464 -7.377 30.542 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.368 -8.491 33.233 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.540 -8.000 32.025 1.00 0.00 H new ATOM 556 N ILE A 36 86.086 -6.275 31.682 1.00 0.00 N ATOM 557 CA ILE A 36 85.535 -5.010 32.242 1.00 0.00 C ATOM 558 C ILE A 36 84.335 -5.351 33.122 1.00 0.00 C ATOM 559 O ILE A 36 84.142 -4.790 34.183 1.00 0.00 O ATOM 560 CB ILE A 36 85.081 -4.103 31.097 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.301 -3.681 30.277 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.393 -2.862 31.671 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.840 -2.982 28.997 1.00 0.00 C ATOM 0 H ILE A 36 86.020 -6.369 30.668 1.00 0.00 H new ATOM 0 HA ILE A 36 86.297 -4.497 32.828 1.00 0.00 H new ATOM 0 HB ILE A 36 84.380 -4.640 30.458 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.932 -3.012 30.862 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.905 -4.554 30.030 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.069 -2.215 30.855 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.527 -3.165 32.259 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.092 -2.320 32.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.710 -2.681 28.413 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.227 -3.666 28.410 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.254 -2.100 29.255 1.00 0.00 H new ATOM 575 N VAL A 37 83.537 -6.282 32.685 1.00 0.00 N ATOM 576 CA VAL A 37 82.348 -6.694 33.477 1.00 0.00 C ATOM 577 C VAL A 37 82.826 -7.286 34.802 1.00 0.00 C ATOM 578 O VAL A 37 82.247 -7.064 35.846 1.00 0.00 O ATOM 579 CB VAL A 37 81.570 -7.752 32.687 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.472 -8.353 33.564 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.941 -7.105 31.451 1.00 0.00 C ATOM 0 H VAL A 37 83.659 -6.780 31.803 1.00 0.00 H new ATOM 0 HA VAL A 37 81.701 -5.838 33.670 1.00 0.00 H new ATOM 0 HB VAL A 37 82.253 -8.543 32.378 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.923 -9.104 32.996 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.921 -8.818 34.442 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.788 -7.566 33.881 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.387 -7.857 30.889 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.262 -6.311 31.762 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.725 -6.685 30.821 1.00 0.00 H new ATOM 591 N ALA A 38 83.880 -8.045 34.752 1.00 0.00 N ATOM 592 CA ALA A 38 84.423 -8.678 35.984 1.00 0.00 C ATOM 593 C ALA A 38 84.941 -7.611 36.947 1.00 0.00 C ATOM 594 O ALA A 38 84.829 -7.741 38.150 1.00 0.00 O ATOM 595 CB ALA A 38 85.577 -9.599 35.605 1.00 0.00 C ATOM 0 H ALA A 38 84.397 -8.258 33.899 1.00 0.00 H new ATOM 0 HA ALA A 38 83.628 -9.243 36.470 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.980 -10.066 36.504 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.218 -10.371 34.924 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.360 -9.019 35.116 1.00 0.00 H new ATOM 601 N SER A 39 85.527 -6.566 36.435 1.00 0.00 N ATOM 602 CA SER A 39 86.069 -5.511 37.334 1.00 0.00 C ATOM 603 C SER A 39 84.917 -4.752 37.993 1.00 0.00 C ATOM 604 O SER A 39 84.981 -4.403 39.155 1.00 0.00 O ATOM 605 CB SER A 39 86.931 -4.540 36.528 1.00 0.00 C ATOM 606 OG SER A 39 88.072 -5.228 36.031 1.00 0.00 O ATOM 0 H SER A 39 85.654 -6.397 35.437 1.00 0.00 H new ATOM 0 HA SER A 39 86.680 -5.978 38.107 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.355 -4.123 35.702 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.240 -3.704 37.155 1.00 0.00 H new ATOM 0 HG SER A 39 88.074 -5.194 35.052 1.00 0.00 H new ATOM 612 N CYS A 40 83.861 -4.500 37.273 1.00 0.00 N ATOM 613 CA CYS A 40 82.715 -3.774 37.884 1.00 0.00 C ATOM 614 C CYS A 40 81.963 -4.741 38.805 1.00 0.00 C ATOM 615 O CYS A 40 81.243 -5.613 38.361 1.00 0.00 O ATOM 616 CB CYS A 40 81.784 -3.267 36.779 1.00 0.00 C ATOM 617 SG CYS A 40 80.669 -2.008 37.449 1.00 0.00 S ATOM 0 H CYS A 40 83.742 -4.763 36.295 1.00 0.00 H new ATOM 0 HA CYS A 40 83.071 -2.920 38.460 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.370 -2.849 35.960 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.207 -4.095 36.368 1.00 0.00 H new ATOM 622 N ASP A 41 82.147 -4.597 40.090 1.00 0.00 N ATOM 623 CA ASP A 41 81.475 -5.506 41.065 1.00 0.00 C ATOM 624 C ASP A 41 79.956 -5.413 40.929 1.00 0.00 C ATOM 625 O ASP A 41 79.253 -6.394 41.058 1.00 0.00 O ATOM 626 CB ASP A 41 81.887 -5.124 42.488 1.00 0.00 C ATOM 627 CG ASP A 41 83.355 -5.492 42.708 1.00 0.00 C ATOM 628 OD1 ASP A 41 83.716 -6.617 42.403 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.095 -4.643 43.177 1.00 0.00 O ATOM 0 H ASP A 41 82.740 -3.881 40.510 1.00 0.00 H new ATOM 0 HA ASP A 41 81.781 -6.531 40.855 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.741 -4.055 42.646 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.258 -5.642 43.212 1.00 0.00 H new ATOM 634 N LYS A 42 79.441 -4.244 40.689 1.00 0.00 N ATOM 635 CA LYS A 42 77.964 -4.099 40.571 1.00 0.00 C ATOM 636 C LYS A 42 77.459 -4.985 39.431 1.00 0.00 C ATOM 637 O LYS A 42 76.413 -5.595 39.528 1.00 0.00 O ATOM 638 CB LYS A 42 77.614 -2.644 40.263 1.00 0.00 C ATOM 639 CG LYS A 42 77.895 -1.776 41.496 1.00 0.00 C ATOM 640 CD LYS A 42 77.424 -0.335 41.246 1.00 0.00 C ATOM 641 CE LYS A 42 78.452 0.422 40.399 1.00 0.00 C ATOM 642 NZ LYS A 42 78.004 1.831 40.227 1.00 0.00 N ATOM 0 H LYS A 42 79.975 -3.383 40.569 1.00 0.00 H new ATOM 0 HA LYS A 42 77.496 -4.397 41.509 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.200 -2.290 39.415 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.564 -2.564 39.981 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.383 -2.189 42.365 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.962 -1.784 41.721 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.460 -0.344 40.738 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.279 0.177 42.197 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.429 0.395 40.882 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.564 -0.058 39.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.699 2.349 39.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.080 1.846 39.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.919 2.284 41.159 1.00 0.00 H new ATOM 656 N CYS A 43 78.184 -5.058 38.350 1.00 0.00 N ATOM 657 CA CYS A 43 77.724 -5.904 37.214 1.00 0.00 C ATOM 658 C CYS A 43 77.835 -7.386 37.588 1.00 0.00 C ATOM 659 O CYS A 43 76.875 -8.128 37.516 1.00 0.00 O ATOM 660 CB CYS A 43 78.610 -5.654 35.995 1.00 0.00 C ATOM 661 SG CYS A 43 78.381 -3.965 35.399 1.00 0.00 S ATOM 0 H CYS A 43 79.069 -4.572 38.204 1.00 0.00 H new ATOM 0 HA CYS A 43 76.688 -5.650 36.989 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.656 -5.817 36.256 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.364 -6.363 35.205 1.00 0.00 H new ATOM 666 N GLN A 44 79.006 -7.824 37.968 1.00 0.00 N ATOM 667 CA GLN A 44 79.189 -9.262 38.324 1.00 0.00 C ATOM 668 C GLN A 44 78.576 -9.565 39.695 1.00 0.00 C ATOM 669 O GLN A 44 77.671 -10.366 39.815 1.00 0.00 O ATOM 670 CB GLN A 44 80.685 -9.591 38.347 1.00 0.00 C ATOM 671 CG GLN A 44 80.880 -11.103 38.482 1.00 0.00 C ATOM 672 CD GLN A 44 82.368 -11.440 38.343 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.210 -10.764 38.899 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 82.730 -12.465 37.615 1.00 0.00 N flip ATOM 0 H GLN A 44 79.844 -7.248 38.047 1.00 0.00 H new ATOM 0 HA GLN A 44 78.684 -9.875 37.577 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.160 -9.234 37.433 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.167 -9.077 39.178 1.00 0.00 H new ATOM 0 HG2 GLN A 44 80.508 -11.444 39.448 1.00 0.00 H new ATOM 0 HG3 GLN A 44 80.305 -11.624 37.717 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.024 -13.033 37.148 1.00 0.00 H new ATOM 0 HE22 GLN A 44 83.719 -12.696 37.515 1.00 0.00 H new ATOM 683 N LEU A 45 79.068 -8.944 40.733 1.00 0.00 N ATOM 684 CA LEU A 45 78.514 -9.222 42.092 1.00 0.00 C ATOM 685 C LEU A 45 77.175 -8.512 42.271 1.00 0.00 C ATOM 686 O LEU A 45 77.067 -7.534 42.984 1.00 0.00 O ATOM 687 CB LEU A 45 79.469 -8.717 43.165 1.00 0.00 C ATOM 688 CG LEU A 45 80.858 -9.344 42.990 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.780 -8.836 44.102 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.762 -10.877 43.060 1.00 0.00 C ATOM 0 H LEU A 45 79.824 -8.260 40.701 1.00 0.00 H new ATOM 0 HA LEU A 45 78.382 -10.300 42.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.545 -7.631 43.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.076 -8.960 44.152 1.00 0.00 H new ATOM 0 HG LEU A 45 81.260 -9.062 42.017 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.770 -9.278 43.984 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.858 -7.750 44.043 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.370 -9.118 45.072 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.754 -11.310 42.934 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.357 -11.172 44.028 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.106 -11.237 42.267 1.00 0.00 H new ATOM 702 N LYS A 46 76.152 -9.006 41.645 1.00 0.00 N ATOM 703 CA LYS A 46 74.804 -8.381 41.788 1.00 0.00 C ATOM 704 C LYS A 46 74.050 -9.052 42.939 1.00 0.00 C ATOM 705 O LYS A 46 72.996 -8.608 43.348 1.00 0.00 O ATOM 706 CB LYS A 46 74.022 -8.547 40.479 1.00 0.00 C ATOM 707 CG LYS A 46 73.866 -10.036 40.149 1.00 0.00 C ATOM 708 CD LYS A 46 73.106 -10.203 38.823 1.00 0.00 C ATOM 709 CE LYS A 46 74.047 -9.985 37.631 1.00 0.00 C ATOM 710 NZ LYS A 46 73.350 -10.387 36.377 1.00 0.00 N ATOM 0 H LYS A 46 76.186 -9.822 41.034 1.00 0.00 H new ATOM 0 HA LYS A 46 74.913 -7.318 42.005 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.041 -8.081 40.570 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.542 -8.038 39.667 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.847 -10.506 40.077 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.329 -10.541 40.952 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.669 -11.200 38.771 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.282 -9.491 38.778 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.346 -8.938 37.575 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.957 -10.571 37.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.984 -10.241 35.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.085 -11.391 36.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.494 -9.810 36.255 1.00 0.00 H new ATOM 724 N GLY A 47 74.581 -10.129 43.460 1.00 0.00 N ATOM 725 CA GLY A 47 73.896 -10.843 44.581 1.00 0.00 C ATOM 726 C GLY A 47 74.391 -10.308 45.928 1.00 0.00 C ATOM 727 O GLY A 47 75.573 -10.295 46.207 1.00 0.00 O ATOM 0 H GLY A 47 75.461 -10.546 43.157 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.817 -10.709 44.502 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.090 -11.913 44.513 1.00 0.00 H new ATOM 731 N GLU A 48 73.489 -9.879 46.771 1.00 0.00 N ATOM 732 CA GLU A 48 73.897 -9.360 48.109 1.00 0.00 C ATOM 733 C GLU A 48 74.130 -10.537 49.061 1.00 0.00 C ATOM 734 O GLU A 48 73.599 -11.613 48.872 1.00 0.00 O ATOM 735 CB GLU A 48 72.789 -8.460 48.672 1.00 0.00 C ATOM 736 CG GLU A 48 72.718 -7.146 47.880 1.00 0.00 C ATOM 737 CD GLU A 48 71.961 -7.369 46.568 1.00 0.00 C ATOM 738 OE1 GLU A 48 70.745 -7.447 46.615 1.00 0.00 O ATOM 739 OE2 GLU A 48 72.611 -7.458 45.540 1.00 0.00 O ATOM 0 H GLU A 48 72.485 -9.866 46.590 1.00 0.00 H new ATOM 0 HA GLU A 48 74.816 -8.783 48.009 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.830 -8.976 48.621 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.981 -8.249 49.724 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.218 -6.380 48.473 1.00 0.00 H new ATOM 0 HG3 GLU A 48 73.724 -6.782 47.672 1.00 0.00 H new ATOM 746 N ALA A 49 74.917 -10.342 50.086 1.00 0.00 N ATOM 747 CA ALA A 49 75.177 -11.454 51.047 1.00 0.00 C ATOM 748 C ALA A 49 73.838 -12.027 51.523 1.00 0.00 C ATOM 749 O ALA A 49 72.888 -11.301 51.742 1.00 0.00 O ATOM 750 CB ALA A 49 75.974 -10.918 52.242 1.00 0.00 C ATOM 0 H ALA A 49 75.390 -9.464 50.299 1.00 0.00 H new ATOM 0 HA ALA A 49 75.753 -12.241 50.560 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.165 -11.729 52.945 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.922 -10.509 51.893 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.402 -10.134 52.739 1.00 0.00 H new ATOM 756 N MET A 50 73.743 -13.325 51.660 1.00 0.00 N ATOM 757 CA MET A 50 72.450 -13.935 52.094 1.00 0.00 C ATOM 758 C MET A 50 72.334 -13.935 53.617 1.00 0.00 C ATOM 759 O MET A 50 72.980 -14.703 54.297 1.00 0.00 O ATOM 760 CB MET A 50 72.381 -15.379 51.597 1.00 0.00 C ATOM 761 CG MET A 50 70.951 -15.899 51.757 1.00 0.00 C ATOM 762 SD MET A 50 70.835 -17.571 51.077 1.00 0.00 S ATOM 763 CE MET A 50 69.073 -17.824 51.405 1.00 0.00 C ATOM 0 H MET A 50 74.501 -13.986 51.491 1.00 0.00 H new ATOM 0 HA MET A 50 71.633 -13.347 51.675 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.685 -15.431 50.551 1.00 0.00 H new ATOM 0 HB3 MET A 50 73.073 -16.004 52.161 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.670 -15.903 52.810 1.00 0.00 H new ATOM 0 HG3 MET A 50 70.253 -15.237 51.244 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.777 -18.814 51.058 1.00 0.00 H new ATOM 0 HE2 MET A 50 68.887 -17.744 52.476 1.00 0.00 H new ATOM 0 HE3 MET A 50 68.492 -17.067 50.878 1.00 0.00 H new ATOM 773 N HIS A 51 71.494 -13.095 54.154 1.00 0.00 N ATOM 774 CA HIS A 51 71.314 -13.056 55.632 1.00 0.00 C ATOM 775 C HIS A 51 70.719 -14.385 56.109 1.00 0.00 C ATOM 776 O HIS A 51 71.099 -14.914 57.136 1.00 0.00 O ATOM 777 CB HIS A 51 70.371 -11.909 55.996 1.00 0.00 C ATOM 778 CG HIS A 51 70.213 -11.840 57.488 1.00 0.00 C ATOM 779 ND1 HIS A 51 69.024 -12.169 58.125 1.00 0.00 N ATOM 780 CD2 HIS A 51 71.085 -11.480 58.486 1.00 0.00 C ATOM 781 CE1 HIS A 51 69.211 -12.000 59.447 1.00 0.00 C ATOM 782 NE2 HIS A 51 70.450 -11.582 59.717 1.00 0.00 N ATOM 0 H HIS A 51 70.922 -12.432 53.631 1.00 0.00 H new ATOM 0 HA HIS A 51 72.279 -12.900 56.115 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.766 -10.966 55.618 1.00 0.00 H new ATOM 0 HB3 HIS A 51 69.400 -12.059 55.524 1.00 0.00 H new ATOM 0 HD2 HIS A 51 72.107 -11.166 58.337 1.00 0.00 H new ATOM 0 HE1 HIS A 51 68.454 -12.180 60.196 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.847 -11.380 60.635 1.00 0.00 H new ATOM 790 N GLY A 52 69.788 -14.931 55.369 1.00 0.00 N ATOM 791 CA GLY A 52 69.164 -16.228 55.772 1.00 0.00 C ATOM 792 C GLY A 52 67.959 -15.962 56.678 1.00 0.00 C ATOM 793 O GLY A 52 67.669 -14.835 57.028 1.00 0.00 O ATOM 0 H GLY A 52 69.432 -14.533 54.500 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.851 -16.782 54.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.894 -16.847 56.294 1.00 0.00 H new ATOM 797 N GLN A 53 67.254 -16.996 57.066 1.00 0.00 N ATOM 798 CA GLN A 53 66.066 -16.813 57.956 1.00 0.00 C ATOM 799 C GLN A 53 66.488 -17.014 59.411 1.00 0.00 C ATOM 800 O GLN A 53 67.305 -17.859 59.719 1.00 0.00 O ATOM 801 CB GLN A 53 64.994 -17.847 57.606 1.00 0.00 C ATOM 802 CG GLN A 53 64.384 -17.522 56.241 1.00 0.00 C ATOM 803 CD GLN A 53 63.318 -18.566 55.902 1.00 0.00 C ATOM 804 OE1 GLN A 53 63.369 -19.682 56.381 1.00 0.00 O ATOM 805 NE2 GLN A 53 62.344 -18.250 55.093 1.00 0.00 N ATOM 0 H GLN A 53 67.451 -17.962 56.804 1.00 0.00 H new ATOM 0 HA GLN A 53 65.666 -15.808 57.817 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.431 -18.846 57.591 1.00 0.00 H new ATOM 0 HB3 GLN A 53 64.217 -17.851 58.370 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.942 -16.526 56.255 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.160 -17.516 55.475 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.299 -17.314 54.690 1.00 0.00 H new ATOM 0 HE22 GLN A 53 61.628 -18.939 54.864 1.00 0.00 H new ATOM 814 N VAL A 54 65.933 -16.248 60.314 1.00 0.00 N ATOM 815 CA VAL A 54 66.293 -16.393 61.758 1.00 0.00 C ATOM 816 C VAL A 54 65.229 -17.241 62.458 1.00 0.00 C ATOM 817 O VAL A 54 64.059 -17.180 62.132 1.00 0.00 O ATOM 818 CB VAL A 54 66.353 -15.009 62.407 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.326 -14.124 61.626 1.00 0.00 C ATOM 820 CG2 VAL A 54 64.961 -14.374 62.391 1.00 0.00 C ATOM 0 H VAL A 54 65.243 -15.525 60.113 1.00 0.00 H new ATOM 0 HA VAL A 54 67.265 -16.878 61.849 1.00 0.00 H new ATOM 0 HB VAL A 54 66.694 -15.106 63.438 1.00 0.00 H new ATOM 0 HG11 VAL A 54 67.370 -13.137 62.087 1.00 0.00 H new ATOM 0 HG12 VAL A 54 68.318 -14.575 61.638 1.00 0.00 H new ATOM 0 HG13 VAL A 54 66.984 -14.028 60.596 1.00 0.00 H new ATOM 0 HG21 VAL A 54 65.005 -13.388 62.854 1.00 0.00 H new ATOM 0 HG22 VAL A 54 64.617 -14.276 61.361 1.00 0.00 H new ATOM 0 HG23 VAL A 54 64.267 -15.005 62.947 1.00 0.00 H new ATOM 830 N ASP A 55 65.625 -18.042 63.411 1.00 0.00 N ATOM 831 CA ASP A 55 64.643 -18.903 64.125 1.00 0.00 C ATOM 832 C ASP A 55 64.011 -18.116 65.276 1.00 0.00 C ATOM 833 O ASP A 55 62.855 -18.367 65.574 1.00 0.00 O ATOM 834 CB ASP A 55 65.371 -20.131 64.677 1.00 0.00 C ATOM 835 CG ASP A 55 66.362 -20.646 63.630 1.00 0.00 C ATOM 836 OD1 ASP A 55 65.915 -21.060 62.575 1.00 0.00 O ATOM 837 OD2 ASP A 55 67.552 -20.616 63.904 1.00 0.00 O ATOM 838 OXT ASP A 55 64.694 -17.276 65.840 1.00 0.00 O ATOM 0 H ASP A 55 66.591 -18.136 63.726 1.00 0.00 H new ATOM 0 HA ASP A 55 63.858 -19.218 63.438 1.00 0.00 H new ATOM 0 HB2 ASP A 55 65.897 -19.873 65.596 1.00 0.00 H new ATOM 0 HB3 ASP A 55 64.653 -20.911 64.929 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 92.526 -14.144 21.592 1.00 0.00 N ATOM 845 CA PHE B 1 92.874 -14.326 23.028 1.00 0.00 C ATOM 846 C PHE B 1 92.207 -15.604 23.546 1.00 0.00 C ATOM 847 O PHE B 1 92.710 -16.267 24.431 1.00 0.00 O ATOM 848 CB PHE B 1 92.379 -13.119 23.841 1.00 0.00 C ATOM 849 CG PHE B 1 92.562 -11.858 23.027 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.848 -11.420 22.695 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.442 -11.141 22.579 1.00 0.00 C ATOM 852 CE1 PHE B 1 94.016 -10.265 21.922 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.610 -9.988 21.806 1.00 0.00 C ATOM 854 CZ PHE B 1 92.896 -9.549 21.477 1.00 0.00 C ATOM 0 H1 PHE B 1 93.030 -13.316 21.215 1.00 0.00 H new ATOM 0 H2 PHE B 1 92.804 -14.991 21.057 1.00 0.00 H new ATOM 0 H3 PHE B 1 91.501 -13.997 21.499 1.00 0.00 H new ATOM 0 HA PHE B 1 93.956 -14.406 23.134 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.328 -13.248 24.102 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.933 -13.045 24.777 1.00 0.00 H new ATOM 0 HD1 PHE B 1 94.711 -11.973 23.035 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.448 -11.480 22.832 1.00 0.00 H new ATOM 0 HE1 PHE B 1 95.009 -9.925 21.668 1.00 0.00 H new ATOM 0 HE2 PHE B 1 90.747 -9.437 21.463 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.026 -8.658 20.880 1.00 0.00 H new ATOM 866 N LEU B 2 91.073 -15.950 22.997 1.00 0.00 N ATOM 867 CA LEU B 2 90.363 -17.178 23.455 1.00 0.00 C ATOM 868 C LEU B 2 91.264 -18.392 23.240 1.00 0.00 C ATOM 869 O LEU B 2 91.336 -19.277 24.069 1.00 0.00 O ATOM 870 CB LEU B 2 89.080 -17.352 22.632 1.00 0.00 C ATOM 871 CG LEU B 2 88.065 -16.247 22.971 1.00 0.00 C ATOM 872 CD1 LEU B 2 86.955 -16.248 21.916 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.442 -16.492 24.358 1.00 0.00 C ATOM 0 H LEU B 2 90.608 -15.434 22.250 1.00 0.00 H new ATOM 0 HA LEU B 2 90.116 -17.087 24.513 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.317 -17.322 21.568 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.642 -18.330 22.833 1.00 0.00 H new ATOM 0 HG LEU B 2 88.579 -15.286 22.981 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.231 -15.467 22.149 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.387 -16.061 20.933 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.456 -17.217 21.914 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.727 -15.700 24.581 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.931 -17.455 24.362 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.227 -16.495 25.114 1.00 0.00 H new ATOM 885 N ASP B 3 91.960 -18.441 22.141 1.00 0.00 N ATOM 886 CA ASP B 3 92.862 -19.599 21.890 1.00 0.00 C ATOM 887 C ASP B 3 93.945 -19.636 22.970 1.00 0.00 C ATOM 888 O ASP B 3 94.262 -20.675 23.514 1.00 0.00 O ATOM 889 CB ASP B 3 93.513 -19.446 20.517 1.00 0.00 C ATOM 890 CG ASP B 3 94.428 -20.642 20.242 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.207 -20.981 21.116 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.331 -21.198 19.161 1.00 0.00 O ATOM 0 H ASP B 3 91.944 -17.733 21.407 1.00 0.00 H new ATOM 0 HA ASP B 3 92.288 -20.526 21.917 1.00 0.00 H new ATOM 0 HB2 ASP B 3 92.746 -19.378 19.746 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.087 -18.520 20.477 1.00 0.00 H new ATOM 897 N GLY B 4 94.508 -18.502 23.287 1.00 0.00 N ATOM 898 CA GLY B 4 95.566 -18.457 24.337 1.00 0.00 C ATOM 899 C GLY B 4 94.951 -18.836 25.683 1.00 0.00 C ATOM 900 O GLY B 4 95.573 -19.478 26.507 1.00 0.00 O ATOM 0 H GLY B 4 94.281 -17.602 22.863 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.374 -19.144 24.086 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.001 -17.459 24.390 1.00 0.00 H new ATOM 904 N ILE B 5 93.728 -18.445 25.905 1.00 0.00 N ATOM 905 CA ILE B 5 93.051 -18.775 27.188 1.00 0.00 C ATOM 906 C ILE B 5 92.864 -20.291 27.295 1.00 0.00 C ATOM 907 O ILE B 5 93.003 -20.865 28.357 1.00 0.00 O ATOM 908 CB ILE B 5 91.695 -18.059 27.251 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.938 -16.560 27.492 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.843 -18.638 28.390 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.647 -15.769 27.246 1.00 0.00 C ATOM 0 H ILE B 5 93.164 -17.907 25.247 1.00 0.00 H new ATOM 0 HA ILE B 5 93.664 -18.439 28.024 1.00 0.00 H new ATOM 0 HB ILE B 5 91.162 -18.203 26.311 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.283 -16.399 28.514 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.725 -16.200 26.830 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.883 -18.122 28.425 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.677 -19.701 28.216 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.363 -18.502 29.338 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.831 -14.709 27.420 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.320 -15.917 26.217 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.871 -16.119 27.927 1.00 0.00 H new ATOM 923 N ASP B 6 92.544 -20.945 26.215 1.00 0.00 N ATOM 924 CA ASP B 6 92.346 -22.418 26.285 1.00 0.00 C ATOM 925 C ASP B 6 93.639 -23.075 26.762 1.00 0.00 C ATOM 926 O ASP B 6 93.624 -23.967 27.587 1.00 0.00 O ATOM 927 CB ASP B 6 91.989 -22.952 24.894 1.00 0.00 C ATOM 928 CG ASP B 6 91.798 -24.468 24.960 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.774 -25.157 25.207 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.682 -24.916 24.756 1.00 0.00 O ATOM 0 H ASP B 6 92.412 -20.528 25.294 1.00 0.00 H new ATOM 0 HA ASP B 6 91.538 -22.646 26.980 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.077 -22.476 24.534 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.779 -22.705 24.185 1.00 0.00 H new ATOM 935 N LYS B 7 94.760 -22.635 26.267 1.00 0.00 N ATOM 936 CA LYS B 7 96.046 -23.233 26.721 1.00 0.00 C ATOM 937 C LYS B 7 96.304 -22.816 28.173 1.00 0.00 C ATOM 938 O LYS B 7 96.733 -23.603 28.994 1.00 0.00 O ATOM 939 CB LYS B 7 97.182 -22.711 25.839 1.00 0.00 C ATOM 940 CG LYS B 7 97.062 -23.301 24.433 1.00 0.00 C ATOM 941 CD LYS B 7 98.206 -22.770 23.565 1.00 0.00 C ATOM 942 CE LYS B 7 98.098 -23.354 22.154 1.00 0.00 C ATOM 943 NZ LYS B 7 99.070 -22.665 21.257 1.00 0.00 N ATOM 0 H LYS B 7 94.843 -21.893 25.573 1.00 0.00 H new ATOM 0 HA LYS B 7 95.995 -24.320 26.650 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.146 -21.623 25.791 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.145 -22.979 26.274 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.099 -24.389 24.478 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.101 -23.032 23.994 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.168 -21.682 23.522 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.165 -23.038 24.007 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.302 -24.425 22.175 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.084 -23.230 21.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.998 -23.061 20.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.856 -21.648 21.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.035 -22.806 21.618 1.00 0.00 H new ATOM 957 N ALA B 8 96.041 -21.575 28.487 1.00 0.00 N ATOM 958 CA ALA B 8 96.261 -21.075 29.877 1.00 0.00 C ATOM 959 C ALA B 8 95.225 -21.676 30.833 1.00 0.00 C ATOM 960 O ALA B 8 95.485 -21.867 32.004 1.00 0.00 O ATOM 961 CB ALA B 8 96.142 -19.549 29.894 1.00 0.00 C ATOM 0 H ALA B 8 95.680 -20.880 27.834 1.00 0.00 H new ATOM 0 HA ALA B 8 97.257 -21.373 30.204 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.302 -19.183 30.908 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.891 -19.118 29.230 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.147 -19.258 29.556 1.00 0.00 H new ATOM 967 N GLN B 9 94.044 -21.950 30.349 1.00 0.00 N ATOM 968 CA GLN B 9 92.984 -22.510 31.235 1.00 0.00 C ATOM 969 C GLN B 9 93.463 -23.839 31.819 1.00 0.00 C ATOM 970 O GLN B 9 94.082 -24.639 31.144 1.00 0.00 O ATOM 971 CB GLN B 9 91.709 -22.729 30.411 1.00 0.00 C ATOM 972 CG GLN B 9 90.596 -23.287 31.301 1.00 0.00 C ATOM 973 CD GLN B 9 89.331 -23.487 30.463 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.265 -23.050 29.331 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.317 -24.130 30.973 1.00 0.00 N ATOM 0 H GLN B 9 93.767 -21.810 29.377 1.00 0.00 H new ATOM 0 HA GLN B 9 92.774 -21.818 32.050 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.390 -21.788 29.964 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.910 -23.419 29.592 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.907 -24.234 31.742 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.396 -22.602 32.125 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.372 -24.497 31.923 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.470 -24.266 30.422 1.00 0.00 H new ATOM 984 N GLU B 10 93.187 -24.077 33.072 1.00 0.00 N ATOM 985 CA GLU B 10 93.633 -25.348 33.707 1.00 0.00 C ATOM 986 C GLU B 10 92.924 -25.523 35.052 1.00 0.00 C ATOM 987 O GLU B 10 92.403 -24.582 35.617 1.00 0.00 O ATOM 988 CB GLU B 10 95.148 -25.309 33.929 1.00 0.00 C ATOM 989 CG GLU B 10 95.637 -26.693 34.366 1.00 0.00 C ATOM 990 CD GLU B 10 97.166 -26.730 34.338 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.755 -25.749 33.914 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.721 -27.739 34.740 1.00 0.00 O ATOM 0 H GLU B 10 92.671 -23.445 33.684 1.00 0.00 H new ATOM 0 HA GLU B 10 93.385 -26.184 33.054 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.653 -25.006 33.012 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.396 -24.568 34.689 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.276 -26.917 35.370 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.233 -27.458 33.704 1.00 0.00 H new ATOM 999 N GLU B 11 92.898 -26.726 35.563 1.00 0.00 N ATOM 1000 CA GLU B 11 92.221 -26.983 36.870 1.00 0.00 C ATOM 1001 C GLU B 11 92.586 -25.881 37.869 1.00 0.00 C ATOM 1002 O GLU B 11 93.581 -25.201 37.720 1.00 0.00 O ATOM 1003 CB GLU B 11 92.679 -28.340 37.413 1.00 0.00 C ATOM 1004 CG GLU B 11 91.934 -28.657 38.710 1.00 0.00 C ATOM 1005 CD GLU B 11 92.236 -30.096 39.134 1.00 0.00 C ATOM 1006 OE1 GLU B 11 91.584 -30.992 38.624 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.115 -30.278 39.961 1.00 0.00 O ATOM 0 H GLU B 11 93.319 -27.547 35.129 1.00 0.00 H new ATOM 0 HA GLU B 11 91.141 -26.989 36.726 1.00 0.00 H new ATOM 0 HB2 GLU B 11 92.491 -29.120 36.675 1.00 0.00 H new ATOM 0 HB3 GLU B 11 93.754 -28.326 37.594 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.238 -27.964 39.495 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.861 -28.526 38.567 1.00 0.00 H new ATOM 1014 N HIS B 12 91.786 -25.697 38.885 1.00 0.00 N ATOM 1015 CA HIS B 12 92.088 -24.635 39.884 1.00 0.00 C ATOM 1016 C HIS B 12 93.330 -25.023 40.683 1.00 0.00 C ATOM 1017 O HIS B 12 93.254 -25.389 41.839 1.00 0.00 O ATOM 1018 CB HIS B 12 90.900 -24.478 40.833 1.00 0.00 C ATOM 1019 CG HIS B 12 91.237 -23.481 41.908 1.00 0.00 C ATOM 1020 ND1 HIS B 12 91.111 -22.110 41.719 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.672 -23.644 43.199 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.457 -21.508 42.876 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.806 -22.400 43.805 1.00 0.00 N ATOM 0 H HIS B 12 90.939 -26.236 39.065 1.00 0.00 H new ATOM 0 HA HIS B 12 92.270 -23.692 39.368 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.021 -24.147 40.279 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.651 -25.440 41.281 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.879 -24.593 43.672 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.452 -20.439 43.031 1.00 0.00 H new ATOM 0 HE2 HIS B 12 92.108 -22.209 44.760 1.00 0.00 H new ATOM 1031 N GLU B 13 94.475 -24.940 40.069 1.00 0.00 N ATOM 1032 CA GLU B 13 95.738 -25.294 40.772 1.00 0.00 C ATOM 1033 C GLU B 13 96.213 -24.095 41.593 1.00 0.00 C ATOM 1034 O GLU B 13 95.563 -23.071 41.651 1.00 0.00 O ATOM 1035 CB GLU B 13 96.805 -25.657 39.741 1.00 0.00 C ATOM 1036 CG GLU B 13 96.433 -26.979 39.064 1.00 0.00 C ATOM 1037 CD GLU B 13 97.498 -27.338 38.026 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.420 -26.558 37.856 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.371 -28.388 37.417 1.00 0.00 O ATOM 0 H GLU B 13 94.591 -24.639 39.101 1.00 0.00 H new ATOM 0 HA GLU B 13 95.564 -26.143 41.433 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.890 -24.866 38.996 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.778 -25.745 40.225 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.354 -27.771 39.808 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.458 -26.893 38.585 1.00 0.00 H new ATOM 1046 N LYS B 14 97.350 -24.209 42.221 1.00 0.00 N ATOM 1047 CA LYS B 14 97.874 -23.074 43.029 1.00 0.00 C ATOM 1048 C LYS B 14 98.239 -21.932 42.084 1.00 0.00 C ATOM 1049 O LYS B 14 98.198 -20.772 42.444 1.00 0.00 O ATOM 1050 CB LYS B 14 99.126 -23.519 43.786 1.00 0.00 C ATOM 1051 CG LYS B 14 98.734 -24.504 44.887 1.00 0.00 C ATOM 1052 CD LYS B 14 99.968 -24.844 45.733 1.00 0.00 C ATOM 1053 CE LYS B 14 101.036 -25.528 44.865 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.875 -24.492 44.201 1.00 0.00 N ATOM 0 H LYS B 14 97.940 -25.041 42.209 1.00 0.00 H new ATOM 0 HA LYS B 14 97.118 -22.747 43.743 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.832 -23.987 43.100 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.628 -22.654 44.219 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.956 -24.071 45.517 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.320 -25.411 44.447 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.376 -23.935 46.175 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.684 -25.499 46.556 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.660 -26.176 45.481 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.560 -26.161 44.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.710 -24.518 43.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.622 -23.553 44.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.879 -24.681 44.395 1.00 0.00 H new ATOM 1068 N TYR B 15 98.598 -22.258 40.874 1.00 0.00 N ATOM 1069 CA TYR B 15 98.972 -21.205 39.893 1.00 0.00 C ATOM 1070 C TYR B 15 97.802 -20.231 39.729 1.00 0.00 C ATOM 1071 O TYR B 15 97.993 -19.059 39.466 1.00 0.00 O ATOM 1072 CB TYR B 15 99.313 -21.863 38.551 1.00 0.00 C ATOM 1073 CG TYR B 15 100.691 -22.481 38.639 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.847 -23.785 39.128 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.813 -21.745 38.243 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.126 -24.351 39.219 1.00 0.00 C ATOM 1077 CE2 TYR B 15 103.091 -22.310 38.332 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.247 -23.612 38.821 1.00 0.00 C ATOM 1079 OH TYR B 15 104.508 -24.168 38.913 1.00 0.00 O ATOM 0 H TYR B 15 98.648 -23.214 40.522 1.00 0.00 H new ATOM 0 HA TYR B 15 99.843 -20.654 40.248 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.574 -22.626 38.308 1.00 0.00 H new ATOM 0 HB3 TYR B 15 99.283 -21.123 37.751 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.982 -24.354 39.435 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.693 -20.739 37.868 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.247 -25.356 39.596 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.956 -21.741 38.023 1.00 0.00 H new ATOM 0 HH TYR B 15 105.174 -23.523 38.595 1.00 0.00 H new ATOM 1089 N HIS B 16 96.592 -20.692 39.906 1.00 0.00 N ATOM 1090 CA HIS B 16 95.427 -19.771 39.786 1.00 0.00 C ATOM 1091 C HIS B 16 95.572 -18.656 40.826 1.00 0.00 C ATOM 1092 O HIS B 16 95.275 -17.508 40.563 1.00 0.00 O ATOM 1093 CB HIS B 16 94.113 -20.538 40.037 1.00 0.00 C ATOM 1094 CG HIS B 16 93.629 -21.184 38.766 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.282 -21.450 38.539 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.288 -21.594 37.633 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.178 -21.991 37.310 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.370 -22.100 36.721 1.00 0.00 N ATOM 0 H HIS B 16 96.362 -21.661 40.127 1.00 0.00 H new ATOM 0 HA HIS B 16 95.400 -19.349 38.781 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.269 -21.299 40.802 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.353 -19.855 40.417 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.355 -21.533 37.475 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.246 -22.298 36.858 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.567 -22.477 35.794 1.00 0.00 H new ATOM 1106 N SER B 17 96.017 -18.984 42.008 1.00 0.00 N ATOM 1107 CA SER B 17 96.164 -17.934 43.053 1.00 0.00 C ATOM 1108 C SER B 17 97.143 -16.871 42.555 1.00 0.00 C ATOM 1109 O SER B 17 96.918 -15.688 42.717 1.00 0.00 O ATOM 1110 CB SER B 17 96.709 -18.571 44.333 1.00 0.00 C ATOM 1111 OG SER B 17 98.035 -19.030 44.099 1.00 0.00 O ATOM 0 H SER B 17 96.283 -19.926 42.293 1.00 0.00 H new ATOM 0 HA SER B 17 95.197 -17.475 43.259 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.701 -17.846 45.147 1.00 0.00 H new ATOM 0 HB3 SER B 17 96.073 -19.401 44.640 1.00 0.00 H new ATOM 0 HG SER B 17 98.010 -19.964 43.802 1.00 0.00 H new ATOM 1117 N ASN B 18 98.216 -17.278 41.925 1.00 0.00 N ATOM 1118 CA ASN B 18 99.198 -16.287 41.388 1.00 0.00 C ATOM 1119 C ASN B 18 98.960 -16.114 39.887 1.00 0.00 C ATOM 1120 O ASN B 18 99.511 -16.832 39.076 1.00 0.00 O ATOM 1121 CB ASN B 18 100.618 -16.802 41.621 1.00 0.00 C ATOM 1122 CG ASN B 18 100.848 -16.991 43.120 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.580 -16.102 43.905 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.334 -18.120 43.556 1.00 0.00 N ATOM 0 H ASN B 18 98.455 -18.256 41.759 1.00 0.00 H new ATOM 0 HA ASN B 18 99.072 -15.330 41.895 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.765 -17.746 41.097 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.344 -16.097 41.216 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.489 -18.257 44.555 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.559 -18.866 42.898 1.00 0.00 H new ATOM 1131 N TRP B 19 98.148 -15.169 39.507 1.00 0.00 N ATOM 1132 CA TRP B 19 97.886 -14.958 38.056 1.00 0.00 C ATOM 1133 C TRP B 19 99.126 -14.358 37.388 1.00 0.00 C ATOM 1134 O TRP B 19 99.308 -14.463 36.192 1.00 0.00 O ATOM 1135 CB TRP B 19 96.688 -14.024 37.868 1.00 0.00 C ATOM 1136 CG TRP B 19 97.000 -12.682 38.437 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.629 -12.253 39.664 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.740 -11.588 37.826 1.00 0.00 C ATOM 1139 NE1 TRP B 19 97.090 -10.962 39.843 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.782 -10.508 38.738 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.371 -11.429 36.579 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.427 -9.313 38.425 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 99.024 -10.228 36.262 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.051 -9.171 37.184 1.00 0.00 C ATOM 0 H TRP B 19 97.655 -14.535 40.136 1.00 0.00 H new ATOM 0 HA TRP B 19 97.659 -15.918 37.593 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.449 -13.933 36.808 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.809 -14.442 38.359 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.065 -12.825 40.386 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.937 -10.412 40.688 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.353 -12.236 35.861 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.444 -8.502 39.138 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.508 -10.117 35.303 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.554 -8.248 36.934 1.00 0.00 H new ATOM 1155 N ARG B 20 99.974 -13.711 38.146 1.00 0.00 N ATOM 1156 CA ARG B 20 101.186 -13.091 37.536 1.00 0.00 C ATOM 1157 C ARG B 20 102.045 -14.173 36.881 1.00 0.00 C ATOM 1158 O ARG B 20 102.588 -13.984 35.810 1.00 0.00 O ATOM 1159 CB ARG B 20 102.012 -12.399 38.625 1.00 0.00 C ATOM 1160 CG ARG B 20 101.251 -11.186 39.164 1.00 0.00 C ATOM 1161 CD ARG B 20 102.089 -10.499 40.246 1.00 0.00 C ATOM 1162 NE ARG B 20 102.413 -11.465 41.351 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.482 -12.077 42.035 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.228 -11.750 41.893 1.00 0.00 N ATOM 1165 NH2 ARG B 20 101.817 -12.989 42.907 1.00 0.00 N ATOM 0 H ARG B 20 99.880 -13.586 39.154 1.00 0.00 H new ATOM 0 HA ARG B 20 100.873 -12.363 36.787 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.220 -13.098 39.435 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.974 -12.085 38.220 1.00 0.00 H new ATOM 0 HG2 ARG B 20 101.039 -10.487 38.355 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.291 -11.498 39.576 1.00 0.00 H new ATOM 0 HD2 ARG B 20 103.010 -10.113 39.810 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.544 -9.645 40.649 1.00 0.00 H new ATOM 0 HE ARG B 20 103.391 -11.649 41.574 1.00 0.00 H new ATOM 0 HH11 ARG B 20 99.964 -11.010 41.243 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.510 -12.235 42.432 1.00 0.00 H new ATOM 0 HH21 ARG B 20 102.800 -13.220 43.051 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.096 -13.470 43.444 1.00 0.00 H new ATOM 1179 N ALA B 21 102.172 -15.307 37.510 1.00 0.00 N ATOM 1180 CA ALA B 21 102.995 -16.399 36.918 1.00 0.00 C ATOM 1181 C ALA B 21 102.416 -16.795 35.557 1.00 0.00 C ATOM 1182 O ALA B 21 103.127 -16.920 34.580 1.00 0.00 O ATOM 1183 CB ALA B 21 102.986 -17.611 37.851 1.00 0.00 C ATOM 0 H ALA B 21 101.742 -15.526 38.409 1.00 0.00 H new ATOM 0 HA ALA B 21 104.020 -16.051 36.788 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.588 -18.409 37.417 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.401 -17.328 38.818 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.962 -17.960 37.984 1.00 0.00 H new ATOM 1189 N MET B 22 101.127 -16.997 35.490 1.00 0.00 N ATOM 1190 CA MET B 22 100.498 -17.389 34.196 1.00 0.00 C ATOM 1191 C MET B 22 100.681 -16.267 33.173 1.00 0.00 C ATOM 1192 O MET B 22 100.994 -16.508 32.024 1.00 0.00 O ATOM 1193 CB MET B 22 99.007 -17.649 34.427 1.00 0.00 C ATOM 1194 CG MET B 22 98.354 -18.118 33.126 1.00 0.00 C ATOM 1195 SD MET B 22 96.660 -18.665 33.462 1.00 0.00 S ATOM 1196 CE MET B 22 96.009 -17.076 34.034 1.00 0.00 C ATOM 0 H MET B 22 100.483 -16.907 36.276 1.00 0.00 H new ATOM 0 HA MET B 22 100.971 -18.293 33.813 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.876 -18.404 35.203 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.521 -16.740 34.781 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.348 -17.308 32.397 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.931 -18.934 32.691 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.920 -17.093 33.994 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.331 -16.899 35.060 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.383 -16.278 33.393 1.00 0.00 H new ATOM 1206 N ALA B 23 100.499 -15.040 33.578 1.00 0.00 N ATOM 1207 CA ALA B 23 100.677 -13.908 32.623 1.00 0.00 C ATOM 1208 C ALA B 23 102.150 -13.826 32.214 1.00 0.00 C ATOM 1209 O ALA B 23 102.476 -13.582 31.070 1.00 0.00 O ATOM 1210 CB ALA B 23 100.251 -12.599 33.297 1.00 0.00 C ATOM 0 H ALA B 23 100.235 -14.772 34.526 1.00 0.00 H new ATOM 0 HA ALA B 23 100.062 -14.070 31.738 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.381 -11.772 32.599 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.203 -12.665 33.591 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.865 -12.428 34.181 1.00 0.00 H new ATOM 1216 N SER B 24 103.041 -14.028 33.146 1.00 0.00 N ATOM 1217 CA SER B 24 104.493 -13.964 32.818 1.00 0.00 C ATOM 1218 C SER B 24 104.865 -15.150 31.929 1.00 0.00 C ATOM 1219 O SER B 24 105.631 -15.024 30.995 1.00 0.00 O ATOM 1220 CB SER B 24 105.312 -14.017 34.108 1.00 0.00 C ATOM 1221 OG SER B 24 106.695 -13.938 33.790 1.00 0.00 O ATOM 0 H SER B 24 102.826 -14.235 34.121 1.00 0.00 H new ATOM 0 HA SER B 24 104.706 -13.033 32.292 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.031 -13.194 34.765 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.103 -14.941 34.647 1.00 0.00 H new ATOM 0 HG SER B 24 107.223 -13.970 34.615 1.00 0.00 H new ATOM 1227 N ASP B 25 104.325 -16.301 32.213 1.00 0.00 N ATOM 1228 CA ASP B 25 104.645 -17.496 31.385 1.00 0.00 C ATOM 1229 C ASP B 25 104.220 -17.240 29.938 1.00 0.00 C ATOM 1230 O ASP B 25 104.911 -17.603 29.007 1.00 0.00 O ATOM 1231 CB ASP B 25 103.903 -18.716 31.936 1.00 0.00 C ATOM 1232 CG ASP B 25 104.559 -19.167 33.244 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.660 -18.719 33.519 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.949 -19.954 33.948 1.00 0.00 O ATOM 0 H ASP B 25 103.676 -16.466 32.982 1.00 0.00 H new ATOM 0 HA ASP B 25 105.718 -17.686 31.418 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.855 -18.470 32.109 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.924 -19.527 31.208 1.00 0.00 H new ATOM 1239 N PHE B 26 103.088 -16.614 29.742 1.00 0.00 N ATOM 1240 CA PHE B 26 102.609 -16.325 28.354 1.00 0.00 C ATOM 1241 C PHE B 26 102.928 -14.874 27.986 1.00 0.00 C ATOM 1242 O PHE B 26 102.595 -14.409 26.914 1.00 0.00 O ATOM 1243 CB PHE B 26 101.099 -16.556 28.277 1.00 0.00 C ATOM 1244 CG PHE B 26 100.818 -18.041 28.322 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.962 -18.750 29.523 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.425 -18.711 27.156 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.711 -20.127 29.554 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.174 -20.087 27.189 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.317 -20.796 28.387 1.00 0.00 C ATOM 0 H PHE B 26 102.471 -16.289 30.486 1.00 0.00 H new ATOM 0 HA PHE B 26 103.114 -16.990 27.653 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.600 -16.054 29.106 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.700 -16.126 27.358 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.266 -18.235 30.422 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.316 -18.165 26.231 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.821 -20.675 30.478 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.870 -20.602 26.290 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.124 -21.858 28.412 1.00 0.00 H new ATOM 1259 N ASN B 27 103.580 -14.159 28.861 1.00 0.00 N ATOM 1260 CA ASN B 27 103.935 -12.743 28.556 1.00 0.00 C ATOM 1261 C ASN B 27 102.686 -11.979 28.114 1.00 0.00 C ATOM 1262 O ASN B 27 102.712 -11.238 27.151 1.00 0.00 O ATOM 1263 CB ASN B 27 104.977 -12.707 27.437 1.00 0.00 C ATOM 1264 CG ASN B 27 106.303 -13.264 27.957 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.606 -13.150 29.128 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.110 -13.871 27.130 1.00 0.00 N ATOM 0 H ASN B 27 103.883 -14.494 29.775 1.00 0.00 H new ATOM 0 HA ASN B 27 104.345 -12.275 29.451 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.632 -13.294 26.586 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.113 -11.684 27.085 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.995 -14.250 27.467 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.855 -13.967 26.147 1.00 0.00 H new ATOM 1273 N LEU B 28 101.593 -12.149 28.815 1.00 0.00 N ATOM 1274 CA LEU B 28 100.327 -11.434 28.455 1.00 0.00 C ATOM 1275 C LEU B 28 99.968 -10.475 29.591 1.00 0.00 C ATOM 1276 O LEU B 28 100.310 -10.716 30.730 1.00 0.00 O ATOM 1277 CB LEU B 28 99.195 -12.459 28.310 1.00 0.00 C ATOM 1278 CG LEU B 28 99.357 -13.264 27.012 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.472 -14.513 27.087 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.937 -12.416 25.793 1.00 0.00 C ATOM 0 H LEU B 28 101.522 -12.759 29.630 1.00 0.00 H new ATOM 0 HA LEU B 28 100.461 -10.889 27.521 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.197 -13.134 29.166 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.232 -11.948 28.309 1.00 0.00 H new ATOM 0 HG LEU B 28 100.403 -13.547 26.898 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.580 -15.091 26.169 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.775 -15.123 27.938 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.431 -14.214 27.207 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.058 -13.003 24.882 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.893 -12.120 25.898 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.562 -11.525 25.737 1.00 0.00 H new ATOM 1292 N PRO B 29 99.271 -9.405 29.304 1.00 0.00 N ATOM 1293 CA PRO B 29 98.862 -8.437 30.357 1.00 0.00 C ATOM 1294 C PRO B 29 97.800 -9.056 31.273 1.00 0.00 C ATOM 1295 O PRO B 29 97.154 -10.020 30.913 1.00 0.00 O ATOM 1296 CB PRO B 29 98.288 -7.254 29.562 1.00 0.00 C ATOM 1297 CG PRO B 29 97.820 -7.858 28.279 1.00 0.00 C ATOM 1298 CD PRO B 29 98.796 -8.992 27.970 1.00 0.00 C ATOM 0 HA PRO B 29 99.684 -8.141 31.009 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.468 -6.776 30.098 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.044 -6.489 29.388 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.801 -8.234 28.373 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.814 -7.118 27.478 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.306 -9.813 27.446 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.617 -8.655 27.337 1.00 0.00 H new ATOM 1306 N PRO B 30 97.628 -8.520 32.448 1.00 0.00 N ATOM 1307 CA PRO B 30 96.633 -9.047 33.425 1.00 0.00 C ATOM 1308 C PRO B 30 95.220 -9.099 32.832 1.00 0.00 C ATOM 1309 O PRO B 30 94.348 -9.765 33.343 1.00 0.00 O ATOM 1310 CB PRO B 30 96.707 -8.053 34.608 1.00 0.00 C ATOM 1311 CG PRO B 30 97.411 -6.844 34.068 1.00 0.00 C ATOM 1312 CD PRO B 30 98.346 -7.355 32.977 1.00 0.00 C ATOM 0 HA PRO B 30 96.853 -10.073 33.721 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.711 -7.799 34.970 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.252 -8.482 35.449 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.698 -6.125 33.665 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.969 -6.334 34.853 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.518 -6.603 32.207 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.322 -7.630 33.377 1.00 0.00 H new ATOM 1320 N VAL B 31 94.979 -8.397 31.763 1.00 0.00 N ATOM 1321 CA VAL B 31 93.611 -8.409 31.176 1.00 0.00 C ATOM 1322 C VAL B 31 93.230 -9.832 30.780 1.00 0.00 C ATOM 1323 O VAL B 31 92.172 -10.317 31.126 1.00 0.00 O ATOM 1324 CB VAL B 31 93.588 -7.507 29.936 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.271 -7.691 29.168 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.731 -6.051 30.375 1.00 0.00 C ATOM 0 H VAL B 31 95.662 -7.820 31.273 1.00 0.00 H new ATOM 0 HA VAL B 31 92.896 -8.041 31.912 1.00 0.00 H new ATOM 0 HB VAL B 31 94.414 -7.778 29.279 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.268 -7.045 28.290 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.175 -8.730 28.854 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.433 -7.429 29.814 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.716 -5.403 29.498 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.905 -5.787 31.036 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.675 -5.922 30.905 1.00 0.00 H new ATOM 1336 N VAL B 32 94.074 -10.508 30.065 1.00 0.00 N ATOM 1337 CA VAL B 32 93.735 -11.898 29.667 1.00 0.00 C ATOM 1338 C VAL B 32 93.763 -12.795 30.904 1.00 0.00 C ATOM 1339 O VAL B 32 92.892 -13.617 31.108 1.00 0.00 O ATOM 1340 CB VAL B 32 94.748 -12.390 28.633 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.470 -13.858 28.304 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.626 -11.542 27.361 1.00 0.00 C ATOM 0 H VAL B 32 94.978 -10.164 29.740 1.00 0.00 H new ATOM 0 HA VAL B 32 92.738 -11.928 29.227 1.00 0.00 H new ATOM 0 HB VAL B 32 95.757 -12.297 29.035 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.192 -14.209 27.567 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.557 -14.457 29.211 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.462 -13.956 27.900 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.347 -11.890 26.621 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.618 -11.635 26.957 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.826 -10.497 27.599 1.00 0.00 H new ATOM 1352 N ALA B 33 94.756 -12.638 31.735 1.00 0.00 N ATOM 1353 CA ALA B 33 94.842 -13.474 32.965 1.00 0.00 C ATOM 1354 C ALA B 33 93.691 -13.128 33.916 1.00 0.00 C ATOM 1355 O ALA B 33 93.080 -13.997 34.504 1.00 0.00 O ATOM 1356 CB ALA B 33 96.181 -13.221 33.661 1.00 0.00 C ATOM 0 H ALA B 33 95.513 -11.965 31.615 1.00 0.00 H new ATOM 0 HA ALA B 33 94.769 -14.526 32.689 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.244 -13.832 34.561 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.997 -13.482 32.987 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.257 -12.168 33.932 1.00 0.00 H new ATOM 1362 N LYS B 34 93.385 -11.864 34.072 1.00 0.00 N ATOM 1363 CA LYS B 34 92.270 -11.475 34.984 1.00 0.00 C ATOM 1364 C LYS B 34 90.954 -12.072 34.485 1.00 0.00 C ATOM 1365 O LYS B 34 90.134 -12.514 35.266 1.00 0.00 O ATOM 1366 CB LYS B 34 92.165 -9.946 35.082 1.00 0.00 C ATOM 1367 CG LYS B 34 93.369 -9.373 35.861 1.00 0.00 C ATOM 1368 CD LYS B 34 93.125 -9.460 37.376 1.00 0.00 C ATOM 1369 CE LYS B 34 94.312 -8.838 38.120 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.048 -8.868 39.587 1.00 0.00 N ATOM 0 H LYS B 34 93.858 -11.088 33.608 1.00 0.00 H new ATOM 0 HA LYS B 34 92.477 -11.867 35.980 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.131 -9.513 34.082 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.236 -9.670 35.581 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.273 -9.924 35.601 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.534 -8.335 35.573 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.204 -8.939 37.638 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.999 -10.500 37.676 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.226 -9.387 37.893 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.466 -7.811 37.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.853 -8.446 40.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.185 -8.326 39.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.922 -9.853 39.897 1.00 0.00 H new ATOM 1384 N GLU B 35 90.728 -12.082 33.198 1.00 0.00 N ATOM 1385 CA GLU B 35 89.447 -12.646 32.689 1.00 0.00 C ATOM 1386 C GLU B 35 89.342 -14.112 33.113 1.00 0.00 C ATOM 1387 O GLU B 35 88.292 -14.577 33.510 1.00 0.00 O ATOM 1388 CB GLU B 35 89.420 -12.556 31.160 1.00 0.00 C ATOM 1389 CG GLU B 35 88.057 -13.024 30.632 1.00 0.00 C ATOM 1390 CD GLU B 35 88.003 -14.555 30.617 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.995 -15.160 30.246 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.970 -15.095 30.977 1.00 0.00 O ATOM 0 H GLU B 35 91.367 -11.728 32.486 1.00 0.00 H new ATOM 0 HA GLU B 35 88.609 -12.082 33.099 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.609 -11.530 30.844 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.214 -13.171 30.737 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.259 -12.629 31.260 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.893 -12.636 29.627 1.00 0.00 H new ATOM 1399 N ILE B 36 90.422 -14.843 33.050 1.00 0.00 N ATOM 1400 CA ILE B 36 90.372 -16.271 33.471 1.00 0.00 C ATOM 1401 C ILE B 36 90.062 -16.326 34.965 1.00 0.00 C ATOM 1402 O ILE B 36 89.299 -17.150 35.429 1.00 0.00 O ATOM 1403 CB ILE B 36 91.728 -16.925 33.207 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.987 -16.961 31.701 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.721 -18.354 33.758 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.434 -17.380 31.439 1.00 0.00 C ATOM 0 H ILE B 36 91.332 -14.515 32.727 1.00 0.00 H new ATOM 0 HA ILE B 36 89.603 -16.801 32.910 1.00 0.00 H new ATOM 0 HB ILE B 36 92.513 -16.351 33.699 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.303 -17.660 31.221 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.797 -15.980 31.266 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.688 -18.821 33.570 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.532 -18.329 34.831 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.938 -18.930 33.265 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.617 -17.405 30.365 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.110 -16.664 31.905 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.608 -18.370 31.860 1.00 0.00 H new ATOM 1418 N VAL B 37 90.647 -15.436 35.714 1.00 0.00 N ATOM 1419 CA VAL B 37 90.399 -15.401 37.180 1.00 0.00 C ATOM 1420 C VAL B 37 88.922 -15.089 37.416 1.00 0.00 C ATOM 1421 O VAL B 37 88.284 -15.636 38.293 1.00 0.00 O ATOM 1422 CB VAL B 37 91.267 -14.303 37.803 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.874 -14.095 39.265 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.741 -14.711 37.721 1.00 0.00 C ATOM 0 H VAL B 37 91.292 -14.725 35.370 1.00 0.00 H new ATOM 0 HA VAL B 37 90.648 -16.360 37.634 1.00 0.00 H new ATOM 0 HB VAL B 37 91.115 -13.372 37.257 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.495 -13.313 39.701 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.826 -13.800 39.322 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.020 -15.024 39.817 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.360 -13.931 38.164 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.891 -15.644 38.263 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.023 -14.849 36.677 1.00 0.00 H new ATOM 1434 N ALA B 38 88.384 -14.199 36.634 1.00 0.00 N ATOM 1435 CA ALA B 38 86.953 -13.815 36.785 1.00 0.00 C ATOM 1436 C ALA B 38 86.048 -15.002 36.460 1.00 0.00 C ATOM 1437 O ALA B 38 85.010 -15.185 37.065 1.00 0.00 O ATOM 1438 CB ALA B 38 86.642 -12.678 35.819 1.00 0.00 C ATOM 0 H ALA B 38 88.880 -13.714 35.886 1.00 0.00 H new ATOM 0 HA ALA B 38 86.775 -13.502 37.814 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.596 -12.389 35.922 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.279 -11.823 36.046 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.829 -13.008 34.797 1.00 0.00 H new ATOM 1444 N SER B 39 86.413 -15.800 35.496 1.00 0.00 N ATOM 1445 CA SER B 39 85.549 -16.955 35.130 1.00 0.00 C ATOM 1446 C SER B 39 85.593 -18.004 36.239 1.00 0.00 C ATOM 1447 O SER B 39 84.593 -18.612 36.566 1.00 0.00 O ATOM 1448 CB SER B 39 86.041 -17.570 33.819 1.00 0.00 C ATOM 1449 OG SER B 39 85.872 -16.627 32.768 1.00 0.00 O ATOM 0 H SER B 39 87.268 -15.703 34.948 1.00 0.00 H new ATOM 0 HA SER B 39 84.523 -16.610 35.003 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.091 -17.851 33.906 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.484 -18.481 33.599 1.00 0.00 H new ATOM 0 HG SER B 39 86.748 -16.292 32.485 1.00 0.00 H new ATOM 1455 N CYS B 40 86.734 -18.221 36.832 1.00 0.00 N ATOM 1456 CA CYS B 40 86.811 -19.228 37.925 1.00 0.00 C ATOM 1457 C CYS B 40 86.169 -18.631 39.181 1.00 0.00 C ATOM 1458 O CYS B 40 86.736 -17.785 39.844 1.00 0.00 O ATOM 1459 CB CYS B 40 88.276 -19.576 38.197 1.00 0.00 C ATOM 1460 SG CYS B 40 88.372 -21.106 39.160 1.00 0.00 S ATOM 0 H CYS B 40 87.610 -17.748 36.609 1.00 0.00 H new ATOM 0 HA CYS B 40 86.283 -20.138 37.639 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.813 -19.693 37.256 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.758 -18.763 38.739 1.00 0.00 H new ATOM 1465 N ASP B 41 84.976 -19.056 39.496 1.00 0.00 N ATOM 1466 CA ASP B 41 84.260 -18.517 40.690 1.00 0.00 C ATOM 1467 C ASP B 41 85.061 -18.785 41.965 1.00 0.00 C ATOM 1468 O ASP B 41 85.094 -17.972 42.867 1.00 0.00 O ATOM 1469 CB ASP B 41 82.882 -19.173 40.801 1.00 0.00 C ATOM 1470 CG ASP B 41 81.985 -18.664 39.670 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.916 -17.458 39.493 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.384 -19.488 39.001 1.00 0.00 O ATOM 0 H ASP B 41 84.460 -19.762 38.971 1.00 0.00 H new ATOM 0 HA ASP B 41 84.145 -17.440 40.571 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.977 -20.257 40.745 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.434 -18.942 41.767 1.00 0.00 H new ATOM 1477 N LYS B 42 85.686 -19.919 42.060 1.00 0.00 N ATOM 1478 CA LYS B 42 86.458 -20.237 43.291 1.00 0.00 C ATOM 1479 C LYS B 42 87.545 -19.182 43.493 1.00 0.00 C ATOM 1480 O LYS B 42 87.821 -18.768 44.601 1.00 0.00 O ATOM 1481 CB LYS B 42 87.117 -21.607 43.143 1.00 0.00 C ATOM 1482 CG LYS B 42 86.042 -22.698 43.179 1.00 0.00 C ATOM 1483 CD LYS B 42 86.699 -24.087 43.168 1.00 0.00 C ATOM 1484 CE LYS B 42 87.124 -24.463 41.743 1.00 0.00 C ATOM 1485 NZ LYS B 42 87.700 -25.838 41.751 1.00 0.00 N ATOM 0 H LYS B 42 85.697 -20.641 41.340 1.00 0.00 H new ATOM 0 HA LYS B 42 85.784 -20.245 44.147 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.670 -21.657 42.205 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.837 -21.765 43.946 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.428 -22.585 44.072 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.378 -22.594 42.320 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.567 -24.091 43.827 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.001 -24.830 43.555 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.267 -24.419 41.071 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.859 -23.750 41.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 87.990 -26.098 40.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 88.527 -25.864 42.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.985 -26.512 42.091 1.00 0.00 H new ATOM 1499 N CYS B 43 88.171 -18.744 42.436 1.00 0.00 N ATOM 1500 CA CYS B 43 89.241 -17.722 42.588 1.00 0.00 C ATOM 1501 C CYS B 43 88.623 -16.377 42.980 1.00 0.00 C ATOM 1502 O CYS B 43 88.986 -15.781 43.974 1.00 0.00 O ATOM 1503 CB CYS B 43 89.973 -17.541 41.259 1.00 0.00 C ATOM 1504 SG CYS B 43 90.873 -19.049 40.839 1.00 0.00 S ATOM 0 H CYS B 43 87.989 -19.048 41.480 1.00 0.00 H new ATOM 0 HA CYS B 43 89.935 -18.056 43.360 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.259 -17.302 40.471 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.665 -16.702 41.327 1.00 0.00 H new ATOM 1509 N GLN B 44 87.706 -15.885 42.191 1.00 0.00 N ATOM 1510 CA GLN B 44 87.079 -14.566 42.500 1.00 0.00 C ATOM 1511 C GLN B 44 86.085 -14.695 43.658 1.00 0.00 C ATOM 1512 O GLN B 44 86.247 -14.082 44.695 1.00 0.00 O ATOM 1513 CB GLN B 44 86.353 -14.047 41.256 1.00 0.00 C ATOM 1514 CG GLN B 44 85.906 -12.601 41.486 1.00 0.00 C ATOM 1515 CD GLN B 44 85.323 -12.033 40.189 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.568 -12.698 39.508 1.00 0.00 O ATOM 1517 NE2 GLN B 44 85.643 -10.821 39.816 1.00 0.00 N ATOM 0 H GLN B 44 87.363 -16.340 41.345 1.00 0.00 H new ATOM 0 HA GLN B 44 87.862 -13.866 42.793 1.00 0.00 H new ATOM 0 HB2 GLN B 44 87.012 -14.101 40.389 1.00 0.00 H new ATOM 0 HB3 GLN B 44 85.489 -14.675 41.039 1.00 0.00 H new ATOM 0 HG2 GLN B 44 85.160 -12.562 42.280 1.00 0.00 H new ATOM 0 HG3 GLN B 44 86.751 -11.996 41.813 1.00 0.00 H new ATOM 0 HE21 GLN B 44 86.277 -10.262 40.387 1.00 0.00 H new ATOM 0 HE22 GLN B 44 85.259 -10.435 38.954 1.00 0.00 H new ATOM 1526 N LEU B 45 85.051 -15.474 43.491 1.00 0.00 N ATOM 1527 CA LEU B 45 84.047 -15.617 44.587 1.00 0.00 C ATOM 1528 C LEU B 45 84.589 -16.529 45.684 1.00 0.00 C ATOM 1529 O LEU B 45 84.163 -17.658 45.835 1.00 0.00 O ATOM 1530 CB LEU B 45 82.760 -16.228 44.049 1.00 0.00 C ATOM 1531 CG LEU B 45 82.207 -15.388 42.890 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.901 -16.017 42.395 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.940 -13.947 43.359 1.00 0.00 C ATOM 0 H LEU B 45 84.857 -16.015 42.648 1.00 0.00 H new ATOM 0 HA LEU B 45 83.847 -14.625 44.992 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.949 -17.246 43.710 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.019 -16.290 44.846 1.00 0.00 H new ATOM 0 HG LEU B 45 82.938 -15.364 42.081 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.502 -15.426 41.571 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.094 -17.033 42.052 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.177 -16.040 43.209 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.548 -13.361 42.528 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.213 -13.957 44.171 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.870 -13.501 43.711 1.00 0.00 H new ATOM 1545 N LYS B 46 85.509 -16.046 46.460 1.00 0.00 N ATOM 1546 CA LYS B 46 86.074 -16.869 47.568 1.00 0.00 C ATOM 1547 C LYS B 46 85.277 -16.612 48.851 1.00 0.00 C ATOM 1548 O LYS B 46 85.449 -17.285 49.847 1.00 0.00 O ATOM 1549 CB LYS B 46 87.546 -16.501 47.781 1.00 0.00 C ATOM 1550 CG LYS B 46 87.668 -15.012 48.128 1.00 0.00 C ATOM 1551 CD LYS B 46 89.146 -14.637 48.318 1.00 0.00 C ATOM 1552 CE LYS B 46 89.827 -14.422 46.959 1.00 0.00 C ATOM 1553 NZ LYS B 46 91.176 -13.826 47.175 1.00 0.00 N ATOM 0 H LYS B 46 85.901 -15.108 46.378 1.00 0.00 H new ATOM 0 HA LYS B 46 86.006 -17.926 47.311 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.968 -17.106 48.583 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.119 -16.721 46.880 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.230 -14.408 47.334 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.109 -14.795 49.038 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.223 -13.730 48.917 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.659 -15.426 48.868 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.916 -15.371 46.429 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.221 -13.764 46.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.641 -13.678 46.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 91.078 -12.913 47.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.751 -14.470 47.755 1.00 0.00 H new ATOM 1567 N GLY B 47 84.409 -15.632 48.835 1.00 0.00 N ATOM 1568 CA GLY B 47 83.601 -15.316 50.053 1.00 0.00 C ATOM 1569 C GLY B 47 82.279 -16.088 50.025 1.00 0.00 C ATOM 1570 O GLY B 47 81.517 -16.002 49.083 1.00 0.00 O ATOM 0 H GLY B 47 84.224 -15.035 48.029 1.00 0.00 H new ATOM 0 HA2 GLY B 47 84.164 -15.576 50.949 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.404 -14.245 50.100 1.00 0.00 H new ATOM 1574 N GLU B 48 81.997 -16.831 51.061 1.00 0.00 N ATOM 1575 CA GLU B 48 80.720 -17.599 51.112 1.00 0.00 C ATOM 1576 C GLU B 48 79.587 -16.668 51.554 1.00 0.00 C ATOM 1577 O GLU B 48 79.813 -15.661 52.194 1.00 0.00 O ATOM 1578 CB GLU B 48 80.854 -18.754 52.113 1.00 0.00 C ATOM 1579 CG GLU B 48 81.799 -19.830 51.553 1.00 0.00 C ATOM 1580 CD GLU B 48 83.254 -19.400 51.753 1.00 0.00 C ATOM 1581 OE1 GLU B 48 83.738 -19.518 52.867 1.00 0.00 O ATOM 1582 OE2 GLU B 48 83.860 -18.965 50.787 1.00 0.00 O ATOM 0 H GLU B 48 82.599 -16.939 51.877 1.00 0.00 H new ATOM 0 HA GLU B 48 80.498 -18.002 50.124 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.237 -18.380 53.062 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.874 -19.188 52.313 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.619 -20.781 52.055 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.599 -19.986 50.493 1.00 0.00 H new ATOM 1589 N ALA B 49 78.368 -16.996 51.219 1.00 0.00 N ATOM 1590 CA ALA B 49 77.226 -16.127 51.624 1.00 0.00 C ATOM 1591 C ALA B 49 77.294 -15.883 53.136 1.00 0.00 C ATOM 1592 O ALA B 49 77.630 -16.766 53.900 1.00 0.00 O ATOM 1593 CB ALA B 49 75.909 -16.817 51.260 1.00 0.00 C ATOM 0 H ALA B 49 78.114 -17.826 50.684 1.00 0.00 H new ATOM 0 HA ALA B 49 77.281 -15.171 51.103 1.00 0.00 H new ATOM 0 HB1 ALA B 49 75.073 -16.183 51.555 1.00 0.00 H new ATOM 0 HB2 ALA B 49 75.873 -16.988 50.184 1.00 0.00 H new ATOM 0 HB3 ALA B 49 75.842 -17.772 51.781 1.00 0.00 H new ATOM 1599 N MET B 50 77.007 -14.684 53.571 1.00 0.00 N ATOM 1600 CA MET B 50 77.089 -14.384 55.032 1.00 0.00 C ATOM 1601 C MET B 50 75.792 -14.768 55.742 1.00 0.00 C ATOM 1602 O MET B 50 74.786 -14.103 55.619 1.00 0.00 O ATOM 1603 CB MET B 50 77.332 -12.888 55.227 1.00 0.00 C ATOM 1604 CG MET B 50 77.726 -12.627 56.682 1.00 0.00 C ATOM 1605 SD MET B 50 78.107 -10.872 56.903 1.00 0.00 S ATOM 1606 CE MET B 50 78.547 -10.962 58.656 1.00 0.00 C ATOM 0 H MET B 50 76.721 -13.903 52.981 1.00 0.00 H new ATOM 0 HA MET B 50 77.909 -14.964 55.456 1.00 0.00 H new ATOM 0 HB2 MET B 50 78.121 -12.545 54.557 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.433 -12.326 54.975 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.914 -12.920 57.347 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.591 -13.234 56.949 1.00 0.00 H new ATOM 0 HE1 MET B 50 78.823 -9.970 59.013 1.00 0.00 H new ATOM 0 HE2 MET B 50 77.694 -11.329 59.227 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.389 -11.641 58.785 1.00 0.00 H new ATOM 1616 N HIS B 51 75.820 -15.823 56.507 1.00 0.00 N ATOM 1617 CA HIS B 51 74.598 -16.246 57.246 1.00 0.00 C ATOM 1618 C HIS B 51 74.223 -15.171 58.272 1.00 0.00 C ATOM 1619 O HIS B 51 73.064 -14.863 58.467 1.00 0.00 O ATOM 1620 CB HIS B 51 74.876 -17.567 57.963 1.00 0.00 C ATOM 1621 CG HIS B 51 73.637 -18.023 58.680 1.00 0.00 C ATOM 1622 ND1 HIS B 51 73.543 -18.033 60.065 1.00 0.00 N ATOM 1623 CD2 HIS B 51 72.431 -18.488 58.218 1.00 0.00 C ATOM 1624 CE1 HIS B 51 72.318 -18.491 60.385 1.00 0.00 C ATOM 1625 NE2 HIS B 51 71.604 -18.781 59.296 1.00 0.00 N ATOM 0 H HIS B 51 76.639 -16.413 56.653 1.00 0.00 H new ATOM 0 HA HIS B 51 73.773 -16.378 56.546 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.191 -18.323 57.244 1.00 0.00 H new ATOM 0 HB3 HIS B 51 75.694 -17.442 58.673 1.00 0.00 H new ATOM 0 HD2 HIS B 51 72.166 -18.608 57.178 1.00 0.00 H new ATOM 0 HE1 HIS B 51 71.958 -18.609 61.397 1.00 0.00 H new ATOM 0 HE2 HIS B 51 70.651 -19.142 59.262 1.00 0.00 H new ATOM 1633 N GLY B 52 75.198 -14.598 58.929 1.00 0.00 N ATOM 1634 CA GLY B 52 74.906 -13.542 59.945 1.00 0.00 C ATOM 1635 C GLY B 52 74.672 -14.188 61.312 1.00 0.00 C ATOM 1636 O GLY B 52 74.671 -15.396 61.448 1.00 0.00 O ATOM 0 H GLY B 52 76.187 -14.816 58.806 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.738 -12.840 60.002 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.027 -12.971 59.647 1.00 0.00 H new ATOM 1640 N GLN B 53 74.470 -13.391 62.331 1.00 0.00 N ATOM 1641 CA GLN B 53 74.230 -13.950 63.696 1.00 0.00 C ATOM 1642 C GLN B 53 72.725 -14.053 63.942 1.00 0.00 C ATOM 1643 O GLN B 53 71.960 -13.204 63.529 1.00 0.00 O ATOM 1644 CB GLN B 53 74.843 -13.022 64.750 1.00 0.00 C ATOM 1645 CG GLN B 53 76.368 -13.088 64.677 1.00 0.00 C ATOM 1646 CD GLN B 53 76.965 -12.155 65.732 1.00 0.00 C ATOM 1647 OE1 GLN B 53 76.338 -11.197 66.137 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.160 -12.397 66.199 1.00 0.00 N ATOM 0 H GLN B 53 74.461 -12.373 62.276 1.00 0.00 H new ATOM 0 HA GLN B 53 74.688 -14.936 63.766 1.00 0.00 H new ATOM 0 HB2 GLN B 53 74.506 -11.998 64.586 1.00 0.00 H new ATOM 0 HB3 GLN B 53 74.505 -13.313 65.744 1.00 0.00 H new ATOM 0 HG2 GLN B 53 76.708 -14.110 64.845 1.00 0.00 H new ATOM 0 HG3 GLN B 53 76.709 -12.798 63.683 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.687 -13.201 65.859 1.00 0.00 H new ATOM 0 HE22 GLN B 53 78.566 -11.782 66.904 1.00 0.00 H new ATOM 1657 N VAL B 54 72.293 -15.086 64.619 1.00 0.00 N ATOM 1658 CA VAL B 54 70.834 -15.250 64.904 1.00 0.00 C ATOM 1659 C VAL B 54 70.543 -14.756 66.322 1.00 0.00 C ATOM 1660 O VAL B 54 71.351 -14.900 67.217 1.00 0.00 O ATOM 1661 CB VAL B 54 70.458 -16.728 64.791 1.00 0.00 C ATOM 1662 CG1 VAL B 54 70.867 -17.254 63.413 1.00 0.00 C ATOM 1663 CG2 VAL B 54 71.187 -17.525 65.876 1.00 0.00 C ATOM 0 H VAL B 54 72.890 -15.826 64.988 1.00 0.00 H new ATOM 0 HA VAL B 54 70.250 -14.672 64.187 1.00 0.00 H new ATOM 0 HB VAL B 54 69.381 -16.839 64.919 1.00 0.00 H new ATOM 0 HG11 VAL B 54 70.599 -18.307 63.332 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.350 -16.687 62.639 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.944 -17.142 63.286 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.919 -18.578 65.796 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.264 -17.414 65.748 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.898 -17.151 66.858 1.00 0.00 H new ATOM 1673 N ASP B 55 69.399 -14.162 66.534 1.00 0.00 N ATOM 1674 CA ASP B 55 69.060 -13.649 67.889 1.00 0.00 C ATOM 1675 C ASP B 55 68.446 -14.774 68.728 1.00 0.00 C ATOM 1676 O ASP B 55 68.650 -14.767 69.931 1.00 0.00 O ATOM 1677 CB ASP B 55 68.055 -12.505 67.747 1.00 0.00 C ATOM 1678 CG ASP B 55 68.462 -11.618 66.568 1.00 0.00 C ATOM 1679 OD1 ASP B 55 69.524 -11.022 66.640 1.00 0.00 O ATOM 1680 OD2 ASP B 55 67.705 -11.551 65.613 1.00 0.00 O ATOM 1681 OXT ASP B 55 67.784 -15.621 68.153 1.00 0.00 O ATOM 0 H ASP B 55 68.683 -14.010 65.823 1.00 0.00 H new ATOM 0 HA ASP B 55 69.962 -13.289 68.384 1.00 0.00 H new ATOM 0 HB2 ASP B 55 67.053 -12.903 67.588 1.00 0.00 H new ATOM 0 HB3 ASP B 55 68.023 -11.918 68.665 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.013 -1.833 35.802 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.580 -21.101 39.941 1.00 0.00 ZN