USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 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 HE2 : A 12 HIS NE2 : 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 HE2 : B 12 HIS NE2 : 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: B 50 MET CE :methyl 160:sc= -0.402 (180deg=0) USER MOD Set 1.2: B 53 GLN : amide:sc= -0.428 X(o=-0.83,f=-1.2) USER MOD Set 2.1: A 50 MET CE :methyl 155:sc= -0.339 (180deg=0) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.355 X(o=-0.69,f=-0.99) USER MOD Single : A 1 PHE N :NH3+ -113:sc= 0.901 (180deg=0.116) 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=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= -1.52 (180deg=-2.22) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= -0.587 USER MOD Single : A 18 ASN :FLIP amide:sc=-0.00469 F(o=-1.3,f=-0.0047) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.277 (180deg=-1.82) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ 142:sc= -2.21! (180deg=-3.66!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.8!) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0111 (180deg=-0.266) USER MOD Single : A 51 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.8!) USER MOD Single : B 1 PHE N :NH3+ -115:sc= 1.07 (180deg=0.182) 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+ -164:sc= -1.26 (180deg=-1.89!) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 172:sc= -0.651 USER MOD Single : B 18 ASN :FLIP amide:sc=-0.00962 F(o=-1.3,f=-0.0096) USER MOD Single : B 22 MET CE :methyl -160:sc= -0.361 (180deg=-1.97) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.19 K(o=-0.19,f=-3!) USER MOD Single : B 34 LYS NZ :NH3+ 155:sc= -1.45 (180deg=-2.85!) USER MOD Single : B 39 SER OG : rot 75:sc= 0.147 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.37 F(o=-3.6!,f=-1.4) USER MOD Single : B 46 LYS NZ :NH3+ -168:sc=-0.00102 (180deg=-0.281) USER MOD Single : B 51 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.001 -3.515 24.277 1.00 0.00 N ATOM 2 CA PHE A 1 94.393 -4.047 25.532 1.00 0.00 C ATOM 3 C PHE A 1 94.077 -2.889 26.485 1.00 0.00 C ATOM 4 O PHE A 1 92.931 -2.578 26.748 1.00 0.00 O ATOM 5 CB PHE A 1 95.376 -4.992 26.236 1.00 0.00 C ATOM 6 CG PHE A 1 95.563 -6.259 25.435 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.547 -6.312 24.445 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.769 -7.389 25.698 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.741 -7.488 23.713 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.964 -8.564 24.963 1.00 0.00 C ATOM 11 CZ PHE A 1 95.949 -8.613 23.971 1.00 0.00 C ATOM 0 H1 PHE A 1 94.349 -3.671 23.482 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.180 -2.496 24.383 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.898 -4.007 24.090 1.00 0.00 H new ATOM 0 HA PHE A 1 93.481 -4.585 25.272 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.336 -4.494 26.368 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.004 -5.236 27.231 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.158 -5.445 24.245 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.010 -7.350 26.466 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.502 -7.528 22.948 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.354 -9.433 25.162 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.099 -9.520 23.404 1.00 0.00 H new ATOM 23 N LEU A 2 95.091 -2.276 27.031 1.00 0.00 N ATOM 24 CA LEU A 2 94.872 -1.168 28.003 1.00 0.00 C ATOM 25 C LEU A 2 94.355 0.101 27.309 1.00 0.00 C ATOM 26 O LEU A 2 93.604 0.865 27.883 1.00 0.00 O ATOM 27 CB LEU A 2 96.209 -0.849 28.684 1.00 0.00 C ATOM 28 CG LEU A 2 96.885 -2.145 29.160 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.103 -1.799 30.024 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.896 -2.982 29.982 1.00 0.00 C ATOM 0 H LEU A 2 96.069 -2.497 26.844 1.00 0.00 H new ATOM 0 HA LEU A 2 94.123 -1.487 28.728 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.863 -0.323 27.989 1.00 0.00 H new ATOM 0 HB3 LEU A 2 96.044 -0.184 29.532 1.00 0.00 H new ATOM 0 HG LEU A 2 97.204 -2.721 28.291 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.582 -2.718 30.362 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.811 -1.215 29.437 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.782 -1.218 30.889 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.384 -3.898 30.315 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.568 -2.409 30.850 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.033 -3.234 29.366 1.00 0.00 H new ATOM 42 N ASP A 3 94.770 0.352 26.102 1.00 0.00 N ATOM 43 CA ASP A 3 94.323 1.600 25.403 1.00 0.00 C ATOM 44 C ASP A 3 92.837 1.555 25.053 1.00 0.00 C ATOM 45 O ASP A 3 92.073 2.422 25.430 1.00 0.00 O ATOM 46 CB ASP A 3 95.120 1.758 24.111 1.00 0.00 C ATOM 47 CG ASP A 3 94.987 0.487 23.268 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.877 -0.575 23.854 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.007 0.601 22.053 1.00 0.00 O ATOM 0 H ASP A 3 95.397 -0.247 25.565 1.00 0.00 H new ATOM 0 HA ASP A 3 94.492 2.440 26.077 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.756 2.619 23.550 1.00 0.00 H new ATOM 0 HB3 ASP A 3 96.169 1.947 24.339 1.00 0.00 H new ATOM 54 N GLY A 4 92.430 0.574 24.310 1.00 0.00 N ATOM 55 CA GLY A 4 90.997 0.486 23.909 1.00 0.00 C ATOM 56 C GLY A 4 90.128 0.307 25.147 1.00 0.00 C ATOM 57 O GLY A 4 89.098 0.930 25.289 1.00 0.00 O ATOM 0 H GLY A 4 93.026 -0.176 23.959 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.703 1.389 23.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.851 -0.351 23.226 1.00 0.00 H new ATOM 61 N ILE A 5 90.526 -0.547 26.042 1.00 0.00 N ATOM 62 CA ILE A 5 89.710 -0.767 27.262 1.00 0.00 C ATOM 63 C ILE A 5 89.550 0.546 28.026 1.00 0.00 C ATOM 64 O ILE A 5 88.495 0.832 28.546 1.00 0.00 O ATOM 65 CB ILE A 5 90.388 -1.810 28.153 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.296 -3.182 27.477 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.686 -1.868 29.515 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.181 -4.210 28.202 1.00 0.00 C ATOM 0 H ILE A 5 91.380 -1.102 25.982 1.00 0.00 H new ATOM 0 HA ILE A 5 88.724 -1.129 26.973 1.00 0.00 H new ATOM 0 HB ILE A 5 91.433 -1.536 28.300 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.261 -3.523 27.476 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.605 -3.100 26.435 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.174 -2.612 30.144 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.744 -0.892 29.996 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.640 -2.141 29.374 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.099 -5.176 27.704 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.219 -3.877 28.180 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.853 -4.307 29.237 1.00 0.00 H new ATOM 80 N ASP A 6 90.574 1.348 28.117 1.00 0.00 N ATOM 81 CA ASP A 6 90.415 2.618 28.873 1.00 0.00 C ATOM 82 C ASP A 6 89.240 3.398 28.291 1.00 0.00 C ATOM 83 O ASP A 6 88.411 3.911 29.011 1.00 0.00 O ATOM 84 CB ASP A 6 91.688 3.458 28.768 1.00 0.00 C ATOM 85 CG ASP A 6 92.810 2.787 29.561 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.496 2.006 30.444 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.962 3.064 29.273 1.00 0.00 O ATOM 0 H ASP A 6 91.495 1.184 27.710 1.00 0.00 H new ATOM 0 HA ASP A 6 90.229 2.392 29.923 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.980 3.565 27.723 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.507 4.462 29.153 1.00 0.00 H new ATOM 92 N LYS A 7 89.147 3.469 26.996 1.00 0.00 N ATOM 93 CA LYS A 7 88.005 4.192 26.381 1.00 0.00 C ATOM 94 C LYS A 7 86.725 3.390 26.606 1.00 0.00 C ATOM 95 O LYS A 7 85.710 3.922 27.025 1.00 0.00 O ATOM 96 CB LYS A 7 88.263 4.374 24.883 1.00 0.00 C ATOM 97 CG LYS A 7 87.212 5.306 24.281 1.00 0.00 C ATOM 98 CD LYS A 7 87.489 5.490 22.790 1.00 0.00 C ATOM 99 CE LYS A 7 86.510 6.513 22.219 1.00 0.00 C ATOM 100 NZ LYS A 7 86.710 6.628 20.747 1.00 0.00 N ATOM 0 H LYS A 7 89.810 3.059 26.338 1.00 0.00 H new ATOM 0 HA LYS A 7 87.896 5.175 26.840 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.260 4.786 24.725 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.234 3.407 24.381 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.215 4.891 24.428 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.233 6.271 24.788 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.515 5.826 22.637 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.384 4.539 22.269 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.485 6.210 22.434 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.663 7.482 22.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.043 7.325 20.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.684 6.936 20.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.543 5.704 20.301 1.00 0.00 H new ATOM 114 N ALA A 8 86.762 2.114 26.345 1.00 0.00 N ATOM 115 CA ALA A 8 85.547 1.280 26.553 1.00 0.00 C ATOM 116 C ALA A 8 85.186 1.258 28.040 1.00 0.00 C ATOM 117 O ALA A 8 84.028 1.220 28.402 1.00 0.00 O ATOM 118 CB ALA A 8 85.797 -0.144 26.047 1.00 0.00 C ATOM 0 H ALA A 8 87.580 1.613 25.997 1.00 0.00 H new ATOM 0 HA ALA A 8 84.716 1.709 25.993 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.903 -0.748 26.203 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.035 -0.116 24.984 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.631 -0.583 26.594 1.00 0.00 H new ATOM 124 N GLN A 9 86.166 1.286 28.902 1.00 0.00 N ATOM 125 CA GLN A 9 85.867 1.270 30.363 1.00 0.00 C ATOM 126 C GLN A 9 84.954 2.450 30.709 1.00 0.00 C ATOM 127 O GLN A 9 84.026 2.323 31.487 1.00 0.00 O ATOM 128 CB GLN A 9 87.172 1.390 31.155 1.00 0.00 C ATOM 129 CG GLN A 9 86.899 1.145 32.638 1.00 0.00 C ATOM 130 CD GLN A 9 88.193 1.342 33.431 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.274 1.374 32.866 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.132 1.485 34.728 1.00 0.00 N ATOM 0 H GLN A 9 87.156 1.319 28.660 1.00 0.00 H new ATOM 0 HA GLN A 9 85.370 0.335 30.620 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.901 0.668 30.785 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.605 2.380 31.014 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.132 1.831 32.996 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.518 0.135 32.787 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.229 1.459 35.202 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.987 1.623 35.267 1.00 0.00 H new ATOM 141 N GLU A 10 85.199 3.596 30.129 1.00 0.00 N ATOM 142 CA GLU A 10 84.330 4.771 30.424 1.00 0.00 C ATOM 143 C GLU A 10 82.896 4.453 29.983 1.00 0.00 C ATOM 144 O GLU A 10 81.939 4.767 30.664 1.00 0.00 O ATOM 145 CB GLU A 10 84.844 5.996 29.663 1.00 0.00 C ATOM 146 CG GLU A 10 84.160 7.257 30.197 1.00 0.00 C ATOM 147 CD GLU A 10 84.593 8.469 29.364 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.757 8.827 29.434 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.755 9.018 28.665 1.00 0.00 O ATOM 0 H GLU A 10 85.957 3.768 29.469 1.00 0.00 H new ATOM 0 HA GLU A 10 84.348 4.984 31.493 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.925 6.080 29.777 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.644 5.885 28.597 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.077 7.141 30.154 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.423 7.410 31.244 1.00 0.00 H new ATOM 156 N GLU A 11 82.749 3.824 28.846 1.00 0.00 N ATOM 157 CA GLU A 11 81.381 3.473 28.353 1.00 0.00 C ATOM 158 C GLU A 11 80.690 2.553 29.358 1.00 0.00 C ATOM 159 O GLU A 11 79.520 2.703 29.637 1.00 0.00 O ATOM 160 CB GLU A 11 81.492 2.765 26.999 1.00 0.00 C ATOM 161 CG GLU A 11 80.092 2.491 26.433 1.00 0.00 C ATOM 162 CD GLU A 11 79.466 1.284 27.144 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.208 0.500 27.717 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.254 1.170 27.107 1.00 0.00 O ATOM 0 H GLU A 11 83.516 3.538 28.237 1.00 0.00 H new ATOM 0 HA GLU A 11 80.794 4.384 28.239 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.060 3.381 26.303 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.037 1.828 27.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.459 3.369 26.564 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.155 2.300 25.362 1.00 0.00 H new ATOM 171 N HIS A 12 81.398 1.599 29.901 1.00 0.00 N ATOM 172 CA HIS A 12 80.756 0.677 30.882 1.00 0.00 C ATOM 173 C HIS A 12 80.239 1.482 32.074 1.00 0.00 C ATOM 174 O HIS A 12 79.178 1.221 32.600 1.00 0.00 O ATOM 175 CB HIS A 12 81.762 -0.361 31.392 1.00 0.00 C ATOM 176 CG HIS A 12 81.046 -1.250 32.369 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.668 -2.565 32.065 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.531 -0.982 33.608 1.00 0.00 C ATOM 179 CE1 HIS A 12 79.940 -3.025 33.108 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.844 -2.091 34.043 1.00 0.00 N ATOM 0 H HIS A 12 82.384 1.419 29.710 1.00 0.00 H new ATOM 0 HA HIS A 12 79.934 0.164 30.383 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.161 -0.946 30.563 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.609 0.130 31.871 1.00 0.00 H new ATOM 0 HD1 HIS A 12 80.899 -3.079 31.215 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.645 -0.056 34.152 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.501 -4.010 33.170 1.00 0.00 H new ATOM 188 N GLU A 13 81.001 2.439 32.513 1.00 0.00 N ATOM 189 CA GLU A 13 80.590 3.262 33.683 1.00 0.00 C ATOM 190 C GLU A 13 79.291 4.016 33.383 1.00 0.00 C ATOM 191 O GLU A 13 78.391 4.074 34.196 1.00 0.00 O ATOM 192 CB GLU A 13 81.712 4.266 33.980 1.00 0.00 C ATOM 193 CG GLU A 13 81.429 5.003 35.292 1.00 0.00 C ATOM 194 CD GLU A 13 82.514 6.057 35.528 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.394 6.168 34.695 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.446 6.739 36.540 1.00 0.00 O ATOM 0 H GLU A 13 81.902 2.691 32.107 1.00 0.00 H new ATOM 0 HA GLU A 13 80.416 2.615 34.543 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.668 3.746 34.046 1.00 0.00 H new ATOM 0 HB3 GLU A 13 81.795 4.982 33.163 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.449 5.477 35.251 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.407 4.296 36.121 1.00 0.00 H new ATOM 203 N LYS A 14 79.201 4.620 32.234 1.00 0.00 N ATOM 204 CA LYS A 14 77.976 5.404 31.895 1.00 0.00 C ATOM 205 C LYS A 14 76.717 4.531 31.846 1.00 0.00 C ATOM 206 O LYS A 14 75.652 4.969 32.235 1.00 0.00 O ATOM 207 CB LYS A 14 78.152 6.068 30.524 1.00 0.00 C ATOM 208 CG LYS A 14 79.195 7.192 30.611 1.00 0.00 C ATOM 209 CD LYS A 14 79.166 8.039 29.324 1.00 0.00 C ATOM 210 CE LYS A 14 79.934 7.342 28.196 1.00 0.00 C ATOM 211 NZ LYS A 14 81.381 7.286 28.535 1.00 0.00 N ATOM 0 H LYS A 14 79.921 4.607 31.512 1.00 0.00 H new ATOM 0 HA LYS A 14 77.848 6.148 32.681 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.466 5.326 29.790 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.199 6.472 30.182 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.990 7.823 31.476 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.189 6.767 30.754 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.134 8.207 29.017 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.604 9.018 29.518 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.546 6.334 28.048 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.791 7.880 27.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 81.942 7.255 27.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 81.642 8.130 29.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.573 6.433 29.099 1.00 0.00 H new ATOM 225 N TYR A 15 76.801 3.334 31.315 1.00 0.00 N ATOM 226 CA TYR A 15 75.565 2.484 31.177 1.00 0.00 C ATOM 227 C TYR A 15 75.721 1.090 31.800 1.00 0.00 C ATOM 228 O TYR A 15 74.790 0.312 31.791 1.00 0.00 O ATOM 229 CB TYR A 15 75.303 2.312 29.681 1.00 0.00 C ATOM 230 CG TYR A 15 75.293 3.673 29.022 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.102 4.405 28.965 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.475 4.209 28.472 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.081 5.668 28.362 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.451 5.473 27.868 1.00 0.00 C ATOM 235 CZ TYR A 15 75.253 6.202 27.813 1.00 0.00 C ATOM 236 OH TYR A 15 75.230 7.446 27.218 1.00 0.00 O ATOM 0 H TYR A 15 77.662 2.908 30.973 1.00 0.00 H new ATOM 0 HA TYR A 15 74.748 2.981 31.701 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.073 1.683 29.234 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.349 1.810 29.521 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.197 3.995 29.387 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.396 3.647 28.516 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.160 6.231 28.320 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.355 5.886 27.445 1.00 0.00 H new ATOM 0 HH TYR A 15 76.126 7.668 26.889 1.00 0.00 H new ATOM 246 N HIS A 16 76.874 0.734 32.288 1.00 0.00 N ATOM 247 CA HIS A 16 77.049 -0.648 32.835 1.00 0.00 C ATOM 248 C HIS A 16 76.566 -1.611 31.759 1.00 0.00 C ATOM 249 O HIS A 16 75.891 -2.584 32.028 1.00 0.00 O ATOM 250 CB HIS A 16 76.219 -0.877 34.108 1.00 0.00 C ATOM 251 CG HIS A 16 76.770 -0.088 35.268 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.830 -0.522 36.053 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.394 1.111 35.825 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.065 0.371 37.018 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.210 1.399 36.924 1.00 0.00 N ATOM 0 H HIS A 16 77.700 1.331 32.334 1.00 0.00 H new ATOM 0 HA HIS A 16 78.096 -0.801 33.097 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.184 -0.588 33.927 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.215 -1.938 34.356 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.589 1.737 35.468 1.00 0.00 H new ATOM 0 HE1 HIS A 16 78.836 0.278 37.769 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.164 2.220 37.528 1.00 0.00 H new ATOM 263 N SER A 17 76.886 -1.317 30.531 1.00 0.00 N ATOM 264 CA SER A 17 76.420 -2.172 29.415 1.00 0.00 C ATOM 265 C SER A 17 76.968 -3.591 29.560 1.00 0.00 C ATOM 266 O SER A 17 77.986 -3.817 30.186 1.00 0.00 O ATOM 267 CB SER A 17 76.885 -1.566 28.093 1.00 0.00 C ATOM 268 OG SER A 17 78.303 -1.570 28.044 1.00 0.00 O ATOM 0 H SER A 17 77.454 -0.516 30.255 1.00 0.00 H new ATOM 0 HA SER A 17 75.331 -2.223 29.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.480 -2.136 27.257 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.510 -0.547 27.996 1.00 0.00 H new ATOM 0 HG SER A 17 78.600 -1.334 27.140 1.00 0.00 H new ATOM 274 N ASN A 18 76.297 -4.548 28.976 1.00 0.00 N ATOM 275 CA ASN A 18 76.770 -5.957 29.065 1.00 0.00 C ATOM 276 C ASN A 18 77.995 -6.135 28.164 1.00 0.00 C ATOM 277 O ASN A 18 78.243 -5.341 27.276 1.00 0.00 O ATOM 278 CB ASN A 18 75.651 -6.898 28.612 1.00 0.00 C ATOM 279 CG ASN A 18 74.441 -6.731 29.534 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.620 -6.282 30.745 1.00 0.00 O flip ATOM 281 ND2 ASN A 18 73.322 -7.018 29.152 1.00 0.00 N flip ATOM 0 H ASN A 18 75.440 -4.413 28.440 1.00 0.00 H new ATOM 0 HA ASN A 18 77.041 -6.192 30.094 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.370 -6.678 27.582 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.999 -7.931 28.634 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.181 -7.369 28.205 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.525 -6.907 29.779 1.00 0.00 H new ATOM 288 N TRP A 19 78.774 -7.162 28.388 1.00 0.00 N ATOM 289 CA TRP A 19 79.986 -7.367 27.542 1.00 0.00 C ATOM 290 C TRP A 19 79.594 -7.480 26.065 1.00 0.00 C ATOM 291 O TRP A 19 80.351 -7.108 25.187 1.00 0.00 O ATOM 292 CB TRP A 19 80.744 -8.625 27.993 1.00 0.00 C ATOM 293 CG TRP A 19 79.999 -9.867 27.619 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.203 -10.580 28.450 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.986 -10.561 26.342 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.714 -11.676 27.764 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.167 -11.708 26.460 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.606 -10.312 25.103 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.967 -12.579 25.388 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.403 -11.186 24.022 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.590 -12.318 24.166 1.00 0.00 C ATOM 0 H TRP A 19 78.624 -7.862 29.115 1.00 0.00 H new ATOM 0 HA TRP A 19 80.642 -6.505 27.660 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.734 -8.640 27.537 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.891 -8.597 29.073 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.986 -10.333 29.479 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.094 -12.376 28.172 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.240 -9.446 24.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.336 -13.448 25.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.877 -10.984 23.073 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.445 -12.989 23.332 1.00 0.00 H new ATOM 312 N ARG A 20 78.424 -7.982 25.777 1.00 0.00 N ATOM 313 CA ARG A 20 78.006 -8.104 24.351 1.00 0.00 C ATOM 314 C ARG A 20 77.904 -6.714 23.724 1.00 0.00 C ATOM 315 O ARG A 20 78.283 -6.508 22.590 1.00 0.00 O ATOM 316 CB ARG A 20 76.634 -8.781 24.265 1.00 0.00 C ATOM 317 CG ARG A 20 76.708 -10.195 24.840 1.00 0.00 C ATOM 318 CD ARG A 20 75.329 -10.838 24.737 1.00 0.00 C ATOM 319 NE ARG A 20 75.018 -11.099 23.307 1.00 0.00 N ATOM 320 CZ ARG A 20 74.049 -11.906 22.990 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.407 -12.548 23.925 1.00 0.00 N ATOM 322 NH2 ARG A 20 73.735 -12.085 21.737 1.00 0.00 N ATOM 0 H ARG A 20 77.744 -8.311 26.462 1.00 0.00 H new ATOM 0 HA ARG A 20 78.747 -8.701 23.819 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.896 -8.195 24.813 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.303 -8.819 23.227 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.443 -10.787 24.294 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.033 -10.163 25.880 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.306 -11.769 25.303 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.575 -10.182 25.172 1.00 0.00 H new ATOM 0 HE ARG A 20 75.564 -10.645 22.575 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.665 -12.417 24.903 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.647 -13.182 23.679 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.249 -11.592 21.007 1.00 0.00 H new ATOM 0 HH22 ARG A 20 72.975 -12.718 21.487 1.00 0.00 H new ATOM 336 N ALA A 21 77.395 -5.758 24.452 1.00 0.00 N ATOM 337 CA ALA A 21 77.273 -4.385 23.888 1.00 0.00 C ATOM 338 C ALA A 21 78.680 -3.795 23.727 1.00 0.00 C ATOM 339 O ALA A 21 79.034 -3.281 22.683 1.00 0.00 O ATOM 340 CB ALA A 21 76.421 -3.519 24.839 1.00 0.00 C ATOM 0 H ALA A 21 77.060 -5.868 25.409 1.00 0.00 H new ATOM 0 HA ALA A 21 76.784 -4.411 22.914 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.329 -2.513 24.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.430 -3.960 24.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.902 -3.471 25.816 1.00 0.00 H new ATOM 346 N MET A 22 79.486 -3.877 24.756 1.00 0.00 N ATOM 347 CA MET A 22 80.870 -3.336 24.663 1.00 0.00 C ATOM 348 C MET A 22 81.633 -4.051 23.549 1.00 0.00 C ATOM 349 O MET A 22 82.368 -3.445 22.800 1.00 0.00 O ATOM 350 CB MET A 22 81.596 -3.554 25.990 1.00 0.00 C ATOM 351 CG MET A 22 81.004 -2.643 27.061 1.00 0.00 C ATOM 352 SD MET A 22 82.052 -2.683 28.539 1.00 0.00 S ATOM 353 CE MET A 22 81.683 -4.378 29.048 1.00 0.00 C ATOM 0 H MET A 22 79.243 -4.295 25.654 1.00 0.00 H new ATOM 0 HA MET A 22 80.821 -2.270 24.442 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.507 -4.596 26.297 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.660 -3.347 25.871 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.928 -1.623 26.684 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.993 -2.967 27.310 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.946 -4.508 30.098 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.619 -4.575 28.913 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.261 -5.074 28.440 1.00 0.00 H new ATOM 363 N ALA A 23 81.461 -5.338 23.433 1.00 0.00 N ATOM 364 CA ALA A 23 82.178 -6.088 22.364 1.00 0.00 C ATOM 365 C ALA A 23 81.776 -5.520 21.008 1.00 0.00 C ATOM 366 O ALA A 23 82.603 -5.219 20.172 1.00 0.00 O ATOM 367 CB ALA A 23 81.789 -7.562 22.428 1.00 0.00 C ATOM 0 H ALA A 23 80.857 -5.902 24.030 1.00 0.00 H new ATOM 0 HA ALA A 23 83.255 -5.991 22.504 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.313 -8.111 21.646 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.062 -7.968 23.402 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.713 -7.661 22.282 1.00 0.00 H new ATOM 373 N SER A 24 80.501 -5.366 20.788 1.00 0.00 N ATOM 374 CA SER A 24 80.032 -4.813 19.489 1.00 0.00 C ATOM 375 C SER A 24 80.426 -3.335 19.365 1.00 0.00 C ATOM 376 O SER A 24 80.743 -2.860 18.293 1.00 0.00 O ATOM 377 CB SER A 24 78.511 -4.942 19.393 1.00 0.00 C ATOM 378 OG SER A 24 78.067 -4.347 18.180 1.00 0.00 O ATOM 0 H SER A 24 79.763 -5.600 21.452 1.00 0.00 H new ATOM 0 HA SER A 24 80.500 -5.375 18.681 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.220 -5.992 19.425 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.038 -4.455 20.246 1.00 0.00 H new ATOM 0 HG SER A 24 77.093 -4.429 18.113 1.00 0.00 H new ATOM 384 N ASP A 25 80.389 -2.600 20.449 1.00 0.00 N ATOM 385 CA ASP A 25 80.737 -1.144 20.382 1.00 0.00 C ATOM 386 C ASP A 25 82.178 -0.957 19.891 1.00 0.00 C ATOM 387 O ASP A 25 82.458 -0.062 19.116 1.00 0.00 O ATOM 388 CB ASP A 25 80.609 -0.520 21.772 1.00 0.00 C ATOM 389 CG ASP A 25 79.138 -0.514 22.191 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.293 -0.624 21.315 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.882 -0.406 23.380 1.00 0.00 O ATOM 0 H ASP A 25 80.134 -2.943 21.375 1.00 0.00 H new ATOM 0 HA ASP A 25 80.052 -0.659 19.686 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.202 -1.084 22.492 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.001 0.497 21.764 1.00 0.00 H new ATOM 396 N PHE A 26 83.087 -1.787 20.333 1.00 0.00 N ATOM 397 CA PHE A 26 84.511 -1.659 19.896 1.00 0.00 C ATOM 398 C PHE A 26 84.887 -2.850 19.020 1.00 0.00 C ATOM 399 O PHE A 26 85.996 -2.950 18.538 1.00 0.00 O ATOM 400 CB PHE A 26 85.405 -1.601 21.136 1.00 0.00 C ATOM 401 CG PHE A 26 85.008 -0.394 21.955 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.589 0.855 21.687 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.053 -0.516 22.975 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.215 1.977 22.435 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.678 0.611 23.721 1.00 0.00 C ATOM 406 CZ PHE A 26 84.259 1.856 23.450 1.00 0.00 C ATOM 0 H PHE A 26 82.904 -2.553 20.982 1.00 0.00 H new ATOM 0 HA PHE A 26 84.645 -0.747 19.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.296 -2.512 21.725 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.453 -1.534 20.845 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.325 0.950 20.903 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.607 -1.477 23.186 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.664 2.937 22.229 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.941 0.519 24.505 1.00 0.00 H new ATOM 0 HZ PHE A 26 83.969 2.723 24.025 1.00 0.00 H new ATOM 416 N ASN A 27 83.966 -3.744 18.795 1.00 0.00 N ATOM 417 CA ASN A 27 84.261 -4.920 17.934 1.00 0.00 C ATOM 418 C ASN A 27 85.434 -5.708 18.516 1.00 0.00 C ATOM 419 O ASN A 27 86.383 -6.022 17.825 1.00 0.00 O ATOM 420 CB ASN A 27 84.609 -4.443 16.523 1.00 0.00 C ATOM 421 CG ASN A 27 84.500 -5.615 15.552 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.511 -6.761 15.958 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.387 -5.379 14.277 1.00 0.00 N ATOM 0 H ASN A 27 83.019 -3.710 19.172 1.00 0.00 H new ATOM 0 HA ASN A 27 83.384 -5.566 17.893 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.934 -3.642 16.221 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.619 -4.033 16.504 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.308 -6.155 13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.378 -4.418 13.935 1.00 0.00 H new ATOM 430 N LEU A 28 85.370 -6.027 19.783 1.00 0.00 N ATOM 431 CA LEU A 28 86.470 -6.804 20.444 1.00 0.00 C ATOM 432 C LEU A 28 85.882 -8.116 20.976 1.00 0.00 C ATOM 433 O LEU A 28 84.711 -8.180 21.292 1.00 0.00 O ATOM 434 CB LEU A 28 87.025 -5.982 21.616 1.00 0.00 C ATOM 435 CG LEU A 28 87.766 -4.744 21.083 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.017 -3.771 22.240 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.115 -5.147 20.457 1.00 0.00 C ATOM 0 H LEU A 28 84.594 -5.781 20.398 1.00 0.00 H new ATOM 0 HA LEU A 28 87.270 -7.013 19.734 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.212 -5.675 22.273 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.703 -6.594 22.212 1.00 0.00 H new ATOM 0 HG LEU A 28 87.152 -4.269 20.318 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.542 -2.891 21.868 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.064 -3.468 22.674 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.624 -4.260 23.002 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.624 -4.258 20.086 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.735 -5.632 21.211 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.941 -5.837 19.631 1.00 0.00 H new ATOM 449 N PRO A 29 86.675 -9.158 21.084 1.00 0.00 N ATOM 450 CA PRO A 29 86.178 -10.462 21.600 1.00 0.00 C ATOM 451 C PRO A 29 85.635 -10.327 23.026 1.00 0.00 C ATOM 452 O PRO A 29 85.908 -9.364 23.708 1.00 0.00 O ATOM 453 CB PRO A 29 87.413 -11.386 21.558 1.00 0.00 C ATOM 454 CG PRO A 29 88.596 -10.474 21.457 1.00 0.00 C ATOM 455 CD PRO A 29 88.108 -9.224 20.727 1.00 0.00 C ATOM 0 HA PRO A 29 85.349 -10.851 21.008 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.470 -12.004 22.454 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.367 -12.064 20.705 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.980 -10.223 22.446 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.410 -10.951 20.911 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.645 -8.333 21.052 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.251 -9.306 19.649 1.00 0.00 H new ATOM 463 N PRO A 30 84.872 -11.291 23.467 1.00 0.00 N ATOM 464 CA PRO A 30 84.279 -11.289 24.835 1.00 0.00 C ATOM 465 C PRO A 30 85.360 -11.181 25.910 1.00 0.00 C ATOM 466 O PRO A 30 85.159 -10.601 26.951 1.00 0.00 O ATOM 467 CB PRO A 30 83.545 -12.643 24.924 1.00 0.00 C ATOM 468 CG PRO A 30 84.120 -13.472 23.823 1.00 0.00 C ATOM 469 CD PRO A 30 84.488 -12.493 22.718 1.00 0.00 C ATOM 0 HA PRO A 30 83.617 -10.439 25.000 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.702 -13.113 25.895 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.469 -12.517 24.802 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.996 -14.023 24.165 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.398 -14.208 23.469 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.307 -12.866 22.103 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.648 -12.303 22.049 1.00 0.00 H new ATOM 477 N VAL A 31 86.504 -11.743 25.673 1.00 0.00 N ATOM 478 CA VAL A 31 87.569 -11.674 26.705 1.00 0.00 C ATOM 479 C VAL A 31 87.796 -10.224 27.103 1.00 0.00 C ATOM 480 O VAL A 31 87.810 -9.883 28.268 1.00 0.00 O ATOM 481 CB VAL A 31 88.876 -12.246 26.135 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.990 -12.224 27.200 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.640 -13.687 25.676 1.00 0.00 C ATOM 0 H VAL A 31 86.749 -12.243 24.819 1.00 0.00 H new ATOM 0 HA VAL A 31 87.263 -12.253 27.576 1.00 0.00 H new ATOM 0 HB VAL A 31 89.189 -11.631 25.291 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.907 -12.633 26.776 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.166 -11.197 27.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.686 -12.826 28.057 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.566 -14.096 25.271 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.317 -14.291 26.524 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.869 -13.702 24.906 1.00 0.00 H new ATOM 493 N VAL A 32 87.980 -9.366 26.149 1.00 0.00 N ATOM 494 CA VAL A 32 88.217 -7.942 26.497 1.00 0.00 C ATOM 495 C VAL A 32 86.942 -7.352 27.094 1.00 0.00 C ATOM 496 O VAL A 32 86.960 -6.735 28.139 1.00 0.00 O ATOM 497 CB VAL A 32 88.627 -7.166 25.240 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.904 -5.699 25.602 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.891 -7.802 24.652 1.00 0.00 C ATOM 0 H VAL A 32 87.977 -9.583 25.152 1.00 0.00 H new ATOM 0 HA VAL A 32 89.021 -7.869 27.230 1.00 0.00 H new ATOM 0 HB VAL A 32 87.822 -7.203 24.507 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.195 -5.152 24.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.004 -5.252 26.024 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.710 -5.651 26.334 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.190 -7.256 23.757 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.695 -7.762 25.387 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.689 -8.841 24.393 1.00 0.00 H new ATOM 509 N ALA A 33 85.835 -7.540 26.442 1.00 0.00 N ATOM 510 CA ALA A 33 84.559 -6.992 26.976 1.00 0.00 C ATOM 511 C ALA A 33 84.208 -7.657 28.318 1.00 0.00 C ATOM 512 O ALA A 33 83.822 -6.990 29.260 1.00 0.00 O ATOM 513 CB ALA A 33 83.441 -7.243 25.964 1.00 0.00 C ATOM 0 H ALA A 33 85.756 -8.049 25.562 1.00 0.00 H new ATOM 0 HA ALA A 33 84.672 -5.921 27.141 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.504 -6.843 26.351 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.685 -6.750 25.023 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.336 -8.315 25.796 1.00 0.00 H new ATOM 519 N LYS A 34 84.331 -8.958 28.428 1.00 0.00 N ATOM 520 CA LYS A 34 83.992 -9.612 29.726 1.00 0.00 C ATOM 521 C LYS A 34 84.926 -9.122 30.825 1.00 0.00 C ATOM 522 O LYS A 34 84.533 -8.980 31.963 1.00 0.00 O ATOM 523 CB LYS A 34 84.089 -11.136 29.613 1.00 0.00 C ATOM 524 CG LYS A 34 82.951 -11.669 28.732 1.00 0.00 C ATOM 525 CD LYS A 34 82.841 -13.189 28.880 1.00 0.00 C ATOM 526 CE LYS A 34 84.214 -13.847 28.674 1.00 0.00 C ATOM 527 NZ LYS A 34 84.973 -13.815 29.955 1.00 0.00 N ATOM 0 H LYS A 34 84.646 -9.585 27.687 1.00 0.00 H new ATOM 0 HA LYS A 34 82.966 -9.345 29.978 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.052 -11.417 29.187 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.035 -11.587 30.604 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.010 -11.199 29.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.135 -11.409 27.690 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.456 -13.438 29.869 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.130 -13.581 28.153 1.00 0.00 H new ATOM 0 HE2 LYS A 34 84.090 -14.876 28.337 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.769 -13.322 27.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 85.510 -14.699 30.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 85.631 -13.009 29.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 84.309 -13.714 30.749 1.00 0.00 H new ATOM 541 N GLU A 35 86.166 -8.878 30.508 1.00 0.00 N ATOM 542 CA GLU A 35 87.106 -8.416 31.560 1.00 0.00 C ATOM 543 C GLU A 35 86.620 -7.104 32.166 1.00 0.00 C ATOM 544 O GLU A 35 86.702 -6.900 33.361 1.00 0.00 O ATOM 545 CB GLU A 35 88.492 -8.206 30.946 1.00 0.00 C ATOM 546 CG GLU A 35 89.521 -7.908 32.049 1.00 0.00 C ATOM 547 CD GLU A 35 89.429 -6.436 32.476 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.926 -5.632 31.706 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.864 -6.138 33.574 1.00 0.00 O ATOM 0 H GLU A 35 86.565 -8.978 29.574 1.00 0.00 H new ATOM 0 HA GLU A 35 87.157 -9.172 32.344 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.790 -9.095 30.391 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.461 -7.381 30.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.342 -8.555 32.908 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.526 -8.127 31.688 1.00 0.00 H new ATOM 556 N ILE A 36 86.105 -6.208 31.367 1.00 0.00 N ATOM 557 CA ILE A 36 85.627 -4.920 31.935 1.00 0.00 C ATOM 558 C ILE A 36 84.520 -5.201 32.948 1.00 0.00 C ATOM 559 O ILE A 36 84.460 -4.599 34.000 1.00 0.00 O ATOM 560 CB ILE A 36 85.105 -4.019 30.817 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.268 -3.709 29.866 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.549 -2.720 31.428 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.814 -2.758 28.756 1.00 0.00 C ATOM 0 H ILE A 36 85.996 -6.312 30.358 1.00 0.00 H new ATOM 0 HA ILE A 36 86.452 -4.410 32.433 1.00 0.00 H new ATOM 0 HB ILE A 36 84.305 -4.513 30.266 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.091 -3.261 30.423 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.645 -4.634 29.429 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.176 -2.075 30.633 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.736 -2.959 32.113 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.341 -2.205 31.971 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.652 -2.549 28.091 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.006 -3.220 28.188 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.460 -1.826 29.197 1.00 0.00 H new ATOM 575 N VAL A 37 83.651 -6.124 32.652 1.00 0.00 N ATOM 576 CA VAL A 37 82.568 -6.436 33.619 1.00 0.00 C ATOM 577 C VAL A 37 83.197 -6.990 34.891 1.00 0.00 C ATOM 578 O VAL A 37 82.770 -6.698 35.989 1.00 0.00 O ATOM 579 CB VAL A 37 81.610 -7.465 33.018 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.504 -7.780 34.028 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.988 -6.887 31.744 1.00 0.00 C ATOM 0 H VAL A 37 83.644 -6.671 31.791 1.00 0.00 H new ATOM 0 HA VAL A 37 82.004 -5.532 33.848 1.00 0.00 H new ATOM 0 HB VAL A 37 82.154 -8.379 32.779 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.820 -8.514 33.601 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.947 -8.183 34.939 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.956 -6.868 34.264 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.304 -7.616 31.310 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.441 -5.976 31.987 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.776 -6.657 31.026 1.00 0.00 H new ATOM 591 N ALA A 38 84.214 -7.787 34.749 1.00 0.00 N ATOM 592 CA ALA A 38 84.882 -8.367 35.947 1.00 0.00 C ATOM 593 C ALA A 38 85.420 -7.246 36.842 1.00 0.00 C ATOM 594 O ALA A 38 85.485 -7.381 38.049 1.00 0.00 O ATOM 595 CB ALA A 38 86.049 -9.254 35.502 1.00 0.00 C ATOM 0 H ALA A 38 84.615 -8.064 33.853 1.00 0.00 H new ATOM 0 HA ALA A 38 84.156 -8.959 36.505 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.538 -9.679 36.379 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.674 -10.059 34.870 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.767 -8.656 34.940 1.00 0.00 H new ATOM 601 N SER A 39 85.824 -6.149 36.262 1.00 0.00 N ATOM 602 CA SER A 39 86.380 -5.031 37.081 1.00 0.00 C ATOM 603 C SER A 39 85.244 -4.251 37.743 1.00 0.00 C ATOM 604 O SER A 39 85.444 -3.567 38.727 1.00 0.00 O ATOM 605 CB SER A 39 87.172 -4.090 36.176 1.00 0.00 C ATOM 606 OG SER A 39 88.096 -4.847 35.409 1.00 0.00 O ATOM 0 H SER A 39 85.794 -5.977 35.257 1.00 0.00 H new ATOM 0 HA SER A 39 87.030 -5.443 37.853 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.496 -3.545 35.518 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.700 -3.349 36.776 1.00 0.00 H new ATOM 0 HG SER A 39 88.606 -4.247 34.825 1.00 0.00 H new ATOM 612 N CYS A 40 84.057 -4.337 37.215 1.00 0.00 N ATOM 613 CA CYS A 40 82.913 -3.592 37.822 1.00 0.00 C ATOM 614 C CYS A 40 82.327 -4.409 38.975 1.00 0.00 C ATOM 615 O CYS A 40 81.645 -5.390 38.768 1.00 0.00 O ATOM 616 CB CYS A 40 81.843 -3.368 36.753 1.00 0.00 C ATOM 617 SG CYS A 40 80.422 -2.496 37.467 1.00 0.00 S ATOM 0 H CYS A 40 83.826 -4.890 36.390 1.00 0.00 H new ATOM 0 HA CYS A 40 83.257 -2.631 38.204 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.258 -2.789 35.928 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.523 -4.325 36.341 1.00 0.00 H new ATOM 622 N ASP A 41 82.597 -4.014 40.188 1.00 0.00 N ATOM 623 CA ASP A 41 82.063 -4.767 41.359 1.00 0.00 C ATOM 624 C ASP A 41 80.527 -4.762 41.348 1.00 0.00 C ATOM 625 O ASP A 41 79.890 -5.678 41.831 1.00 0.00 O ATOM 626 CB ASP A 41 82.561 -4.111 42.648 1.00 0.00 C ATOM 627 CG ASP A 41 84.075 -4.293 42.771 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.622 -5.087 42.021 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.661 -3.641 43.622 1.00 0.00 O ATOM 0 H ASP A 41 83.166 -3.200 40.420 1.00 0.00 H new ATOM 0 HA ASP A 41 82.411 -5.798 41.304 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.312 -3.050 42.646 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.061 -4.554 43.509 1.00 0.00 H new ATOM 634 N LYS A 42 79.923 -3.726 40.828 1.00 0.00 N ATOM 635 CA LYS A 42 78.429 -3.658 40.821 1.00 0.00 C ATOM 636 C LYS A 42 77.834 -4.693 39.864 1.00 0.00 C ATOM 637 O LYS A 42 76.831 -5.310 40.160 1.00 0.00 O ATOM 638 CB LYS A 42 77.987 -2.252 40.399 1.00 0.00 C ATOM 639 CG LYS A 42 78.535 -1.225 41.392 1.00 0.00 C ATOM 640 CD LYS A 42 77.915 0.136 41.084 1.00 0.00 C ATOM 641 CE LYS A 42 78.470 1.192 42.039 1.00 0.00 C ATOM 642 NZ LYS A 42 77.665 2.441 41.908 1.00 0.00 N ATOM 0 H LYS A 42 80.396 -2.926 40.409 1.00 0.00 H new ATOM 0 HA LYS A 42 78.068 -3.877 41.826 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.349 -2.032 39.395 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.899 -2.196 40.365 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.300 -1.525 42.413 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.621 -1.171 41.318 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.130 0.418 40.053 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.831 0.081 41.180 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.433 0.827 43.065 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.516 1.393 41.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.038 3.164 42.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.722 2.790 40.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.673 2.241 42.147 1.00 0.00 H new ATOM 656 N CYS A 43 78.431 -4.887 38.724 1.00 0.00 N ATOM 657 CA CYS A 43 77.893 -5.885 37.756 1.00 0.00 C ATOM 658 C CYS A 43 78.417 -7.285 38.111 1.00 0.00 C ATOM 659 O CYS A 43 77.772 -8.281 37.852 1.00 0.00 O ATOM 660 CB CYS A 43 78.348 -5.509 36.341 1.00 0.00 C ATOM 661 SG CYS A 43 77.439 -4.043 35.767 1.00 0.00 S ATOM 0 H CYS A 43 79.271 -4.397 38.418 1.00 0.00 H new ATOM 0 HA CYS A 43 76.804 -5.889 37.802 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.419 -5.308 36.336 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.176 -6.343 35.661 1.00 0.00 H new ATOM 666 N GLN A 44 79.588 -7.368 38.687 1.00 0.00 N ATOM 667 CA GLN A 44 80.161 -8.709 39.036 1.00 0.00 C ATOM 668 C GLN A 44 79.424 -9.332 40.223 1.00 0.00 C ATOM 669 O GLN A 44 78.969 -10.456 40.164 1.00 0.00 O ATOM 670 CB GLN A 44 81.638 -8.556 39.413 1.00 0.00 C ATOM 671 CG GLN A 44 82.260 -9.945 39.614 1.00 0.00 C ATOM 672 CD GLN A 44 83.724 -9.809 40.030 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.582 -9.309 39.192 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.088 -10.158 41.134 1.00 0.00 N ATOM 0 H GLN A 44 80.174 -6.569 38.932 1.00 0.00 H new ATOM 0 HA GLN A 44 80.051 -9.356 38.166 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.171 -8.017 38.630 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.733 -7.968 40.326 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.707 -10.493 40.376 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.188 -10.521 38.692 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.415 -10.551 41.792 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.067 -10.059 41.403 1.00 0.00 H new ATOM 683 N LEU A 45 79.337 -8.627 41.308 1.00 0.00 N ATOM 684 CA LEU A 45 78.673 -9.182 42.524 1.00 0.00 C ATOM 685 C LEU A 45 77.162 -8.984 42.444 1.00 0.00 C ATOM 686 O LEU A 45 76.478 -8.954 43.447 1.00 0.00 O ATOM 687 CB LEU A 45 79.217 -8.464 43.753 1.00 0.00 C ATOM 688 CG LEU A 45 80.734 -8.674 43.860 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.250 -7.926 45.090 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.060 -10.180 43.988 1.00 0.00 C ATOM 0 H LEU A 45 79.700 -7.679 41.411 1.00 0.00 H new ATOM 0 HA LEU A 45 78.880 -10.250 42.591 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.993 -7.399 43.690 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.726 -8.840 44.650 1.00 0.00 H new ATOM 0 HG LEU A 45 81.218 -8.291 42.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.327 -8.068 45.177 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.031 -6.863 44.988 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.760 -8.313 45.983 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.139 -10.314 44.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.582 -10.581 44.882 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.689 -10.708 43.110 1.00 0.00 H new ATOM 702 N LYS A 46 76.641 -8.848 41.265 1.00 0.00 N ATOM 703 CA LYS A 46 75.171 -8.647 41.123 1.00 0.00 C ATOM 704 C LYS A 46 74.467 -9.997 41.244 1.00 0.00 C ATOM 705 O LYS A 46 74.912 -10.993 40.709 1.00 0.00 O ATOM 706 CB LYS A 46 74.859 -8.048 39.751 1.00 0.00 C ATOM 707 CG LYS A 46 73.391 -7.609 39.705 1.00 0.00 C ATOM 708 CD LYS A 46 73.082 -7.002 38.334 1.00 0.00 C ATOM 709 CE LYS A 46 71.718 -6.306 38.372 1.00 0.00 C ATOM 710 NZ LYS A 46 70.665 -7.297 38.727 1.00 0.00 N ATOM 0 H LYS A 46 77.165 -8.866 40.390 1.00 0.00 H new ATOM 0 HA LYS A 46 74.824 -7.970 41.903 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.510 -7.196 39.558 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.055 -8.782 38.969 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.739 -8.462 39.892 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.194 -6.879 40.490 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.858 -6.288 38.059 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.082 -7.782 37.572 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.731 -5.496 39.102 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.499 -5.858 37.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.727 -6.889 38.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.789 -8.156 38.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.743 -7.540 39.735 1.00 0.00 H new ATOM 724 N GLY A 47 73.371 -10.031 41.958 1.00 0.00 N ATOM 725 CA GLY A 47 72.617 -11.310 42.144 1.00 0.00 C ATOM 726 C GLY A 47 72.881 -11.853 43.548 1.00 0.00 C ATOM 727 O GLY A 47 73.455 -11.186 44.389 1.00 0.00 O ATOM 0 H GLY A 47 72.962 -9.221 42.424 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.550 -11.140 42.002 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.926 -12.040 41.395 1.00 0.00 H new ATOM 731 N GLU A 48 72.466 -13.063 43.810 1.00 0.00 N ATOM 732 CA GLU A 48 72.688 -13.650 45.162 1.00 0.00 C ATOM 733 C GLU A 48 74.087 -14.274 45.241 1.00 0.00 C ATOM 734 O GLU A 48 74.508 -14.995 44.357 1.00 0.00 O ATOM 735 CB GLU A 48 71.631 -14.729 45.425 1.00 0.00 C ATOM 736 CG GLU A 48 71.742 -15.201 46.875 1.00 0.00 C ATOM 737 CD GLU A 48 70.752 -16.339 47.137 1.00 0.00 C ATOM 738 OE1 GLU A 48 70.039 -16.706 46.219 1.00 0.00 O ATOM 739 OE2 GLU A 48 70.727 -16.826 48.253 1.00 0.00 O ATOM 0 H GLU A 48 71.983 -13.670 43.147 1.00 0.00 H new ATOM 0 HA GLU A 48 72.607 -12.864 45.912 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.634 -14.332 45.235 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.775 -15.569 44.745 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.758 -15.539 47.078 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.541 -14.371 47.552 1.00 0.00 H new ATOM 746 N ALA A 49 74.808 -14.008 46.309 1.00 0.00 N ATOM 747 CA ALA A 49 76.182 -14.592 46.475 1.00 0.00 C ATOM 748 C ALA A 49 76.126 -15.677 47.552 1.00 0.00 C ATOM 749 O ALA A 49 75.629 -16.766 47.325 1.00 0.00 O ATOM 750 CB ALA A 49 77.170 -13.499 46.906 1.00 0.00 C ATOM 0 H ALA A 49 74.502 -13.409 47.076 1.00 0.00 H new ATOM 0 HA ALA A 49 76.515 -15.016 45.528 1.00 0.00 H new ATOM 0 HB1 ALA A 49 78.163 -13.932 47.024 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.203 -12.718 46.146 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.847 -13.070 47.854 1.00 0.00 H new ATOM 756 N MET A 50 76.634 -15.387 48.723 1.00 0.00 N ATOM 757 CA MET A 50 76.617 -16.390 49.827 1.00 0.00 C ATOM 758 C MET A 50 75.514 -16.037 50.831 1.00 0.00 C ATOM 759 O MET A 50 75.480 -14.939 51.350 1.00 0.00 O ATOM 760 CB MET A 50 77.963 -16.344 50.540 1.00 0.00 C ATOM 761 CG MET A 50 78.083 -17.526 51.496 1.00 0.00 C ATOM 762 SD MET A 50 79.632 -17.386 52.422 1.00 0.00 S ATOM 763 CE MET A 50 79.146 -18.411 53.832 1.00 0.00 C ATOM 0 H MET A 50 77.062 -14.492 48.962 1.00 0.00 H new ATOM 0 HA MET A 50 76.431 -17.384 49.419 1.00 0.00 H new ATOM 0 HB2 MET A 50 78.772 -16.371 49.810 1.00 0.00 H new ATOM 0 HB3 MET A 50 78.061 -15.408 51.090 1.00 0.00 H new ATOM 0 HG2 MET A 50 77.236 -17.542 52.181 1.00 0.00 H new ATOM 0 HG3 MET A 50 78.061 -18.463 50.940 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.036 -18.830 54.301 1.00 0.00 H new ATOM 0 HE2 MET A 50 78.607 -17.801 54.557 1.00 0.00 H new ATOM 0 HE3 MET A 50 78.502 -19.220 53.489 1.00 0.00 H new ATOM 773 N HIS A 51 74.618 -16.955 51.129 1.00 0.00 N ATOM 774 CA HIS A 51 73.538 -16.663 52.129 1.00 0.00 C ATOM 775 C HIS A 51 73.415 -17.845 53.093 1.00 0.00 C ATOM 776 O HIS A 51 72.380 -18.078 53.679 1.00 0.00 O ATOM 777 CB HIS A 51 72.196 -16.417 51.419 1.00 0.00 C ATOM 778 CG HIS A 51 71.641 -17.700 50.863 1.00 0.00 C ATOM 779 ND1 HIS A 51 72.216 -18.364 49.788 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.553 -18.450 51.228 1.00 0.00 C ATOM 781 CE1 HIS A 51 71.475 -19.466 49.549 1.00 0.00 C ATOM 782 NE2 HIS A 51 70.452 -19.559 50.400 1.00 0.00 N ATOM 0 H HIS A 51 74.589 -17.890 50.723 1.00 0.00 H new ATOM 0 HA HIS A 51 73.798 -15.762 52.685 1.00 0.00 H new ATOM 0 HB2 HIS A 51 71.484 -15.981 52.120 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.333 -15.696 50.613 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.877 -18.214 52.037 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.684 -20.182 48.768 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.744 -20.292 50.435 1.00 0.00 H new ATOM 790 N GLY A 52 74.472 -18.591 53.259 1.00 0.00 N ATOM 791 CA GLY A 52 74.428 -19.758 54.186 1.00 0.00 C ATOM 792 C GLY A 52 74.495 -19.265 55.633 1.00 0.00 C ATOM 793 O GLY A 52 74.153 -18.136 55.931 1.00 0.00 O ATOM 0 H GLY A 52 75.367 -18.443 52.792 1.00 0.00 H new ATOM 0 HA2 GLY A 52 73.512 -20.328 54.027 1.00 0.00 H new ATOM 0 HA3 GLY A 52 75.261 -20.430 53.981 1.00 0.00 H new ATOM 797 N GLN A 53 74.931 -20.106 56.539 1.00 0.00 N ATOM 798 CA GLN A 53 75.020 -19.684 57.970 1.00 0.00 C ATOM 799 C GLN A 53 73.659 -19.161 58.445 1.00 0.00 C ATOM 800 O GLN A 53 73.527 -18.015 58.822 1.00 0.00 O ATOM 801 CB GLN A 53 76.084 -18.590 58.118 1.00 0.00 C ATOM 802 CG GLN A 53 77.440 -19.142 57.666 1.00 0.00 C ATOM 803 CD GLN A 53 78.512 -18.054 57.799 1.00 0.00 C ATOM 804 OE1 GLN A 53 78.407 -17.176 58.632 1.00 0.00 O ATOM 805 NE2 GLN A 53 79.548 -18.082 57.006 1.00 0.00 N ATOM 0 H GLN A 53 75.228 -21.063 56.349 1.00 0.00 H new ATOM 0 HA GLN A 53 75.301 -20.541 58.582 1.00 0.00 H new ATOM 0 HB2 GLN A 53 75.814 -17.720 57.519 1.00 0.00 H new ATOM 0 HB3 GLN A 53 76.140 -18.258 59.155 1.00 0.00 H new ATOM 0 HG2 GLN A 53 77.710 -20.008 58.270 1.00 0.00 H new ATOM 0 HG3 GLN A 53 77.379 -19.481 56.632 1.00 0.00 H new ATOM 0 HE21 GLN A 53 79.635 -18.820 56.307 1.00 0.00 H new ATOM 0 HE22 GLN A 53 80.270 -17.366 57.085 1.00 0.00 H new ATOM 814 N VAL A 54 72.645 -19.995 58.421 1.00 0.00 N ATOM 815 CA VAL A 54 71.290 -19.547 58.859 1.00 0.00 C ATOM 816 C VAL A 54 70.834 -18.394 57.960 1.00 0.00 C ATOM 817 O VAL A 54 71.594 -17.881 57.159 1.00 0.00 O ATOM 818 CB VAL A 54 71.337 -19.079 60.322 1.00 0.00 C ATOM 819 CG1 VAL A 54 69.920 -18.991 60.899 1.00 0.00 C ATOM 820 CG2 VAL A 54 72.150 -20.079 61.143 1.00 0.00 C ATOM 0 H VAL A 54 72.701 -20.967 58.116 1.00 0.00 H new ATOM 0 HA VAL A 54 70.588 -20.377 58.781 1.00 0.00 H new ATOM 0 HB VAL A 54 71.800 -18.093 60.364 1.00 0.00 H new ATOM 0 HG11 VAL A 54 69.969 -18.658 61.936 1.00 0.00 H new ATOM 0 HG12 VAL A 54 69.334 -18.280 60.317 1.00 0.00 H new ATOM 0 HG13 VAL A 54 69.448 -19.972 60.855 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.187 -19.752 62.182 1.00 0.00 H new ATOM 0 HG22 VAL A 54 71.681 -21.061 61.088 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.163 -20.138 60.745 1.00 0.00 H new ATOM 830 N ASP A 55 69.595 -17.986 58.080 1.00 0.00 N ATOM 831 CA ASP A 55 69.080 -16.877 57.237 1.00 0.00 C ATOM 832 C ASP A 55 68.174 -15.978 58.080 1.00 0.00 C ATOM 833 O ASP A 55 67.894 -14.876 57.635 1.00 0.00 O ATOM 834 CB ASP A 55 68.265 -17.477 56.097 1.00 0.00 C ATOM 835 CG ASP A 55 69.203 -18.143 55.091 1.00 0.00 C ATOM 836 OD1 ASP A 55 70.381 -17.822 55.107 1.00 0.00 O ATOM 837 OD2 ASP A 55 68.731 -18.966 54.324 1.00 0.00 O ATOM 838 OXT ASP A 55 67.778 -16.403 59.156 1.00 0.00 O ATOM 0 H ASP A 55 68.917 -18.380 58.733 1.00 0.00 H new ATOM 0 HA ASP A 55 69.909 -16.290 56.843 1.00 0.00 H new ATOM 0 HB2 ASP A 55 67.557 -18.208 56.488 1.00 0.00 H new ATOM 0 HB3 ASP A 55 67.681 -16.699 55.605 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.523 -14.197 21.591 1.00 0.00 N ATOM 845 CA PHE B 1 92.597 -14.090 22.754 1.00 0.00 C ATOM 846 C PHE B 1 92.077 -15.484 23.129 1.00 0.00 C ATOM 847 O PHE B 1 92.421 -16.032 24.160 1.00 0.00 O ATOM 848 CB PHE B 1 91.399 -13.201 22.387 1.00 0.00 C ATOM 849 CG PHE B 1 91.847 -11.768 22.210 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.284 -11.325 20.957 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.809 -10.876 23.292 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.689 -9.994 20.786 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.214 -9.544 23.119 1.00 0.00 C ATOM 854 CZ PHE B 1 92.654 -9.105 21.866 1.00 0.00 C ATOM 0 H1 PHE B 1 94.481 -13.918 21.883 1.00 0.00 H new ATOM 0 H2 PHE B 1 93.538 -15.179 21.248 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.197 -13.569 20.829 1.00 0.00 H new ATOM 0 HA PHE B 1 93.137 -13.654 23.595 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.937 -13.562 21.468 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.641 -13.259 23.168 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.309 -12.009 20.121 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.468 -11.215 24.259 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.029 -9.654 19.819 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.186 -8.858 23.953 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.967 -8.080 21.732 1.00 0.00 H new ATOM 866 N LEU B 2 91.222 -16.038 22.315 1.00 0.00 N ATOM 867 CA LEU B 2 90.629 -17.377 22.619 1.00 0.00 C ATOM 868 C LEU B 2 91.669 -18.501 22.477 1.00 0.00 C ATOM 869 O LEU B 2 91.619 -19.490 23.181 1.00 0.00 O ATOM 870 CB LEU B 2 89.483 -17.641 21.628 1.00 0.00 C ATOM 871 CG LEU B 2 88.586 -16.397 21.524 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.325 -16.734 20.721 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.189 -15.922 22.925 1.00 0.00 C ATOM 0 H LEU B 2 90.904 -15.618 21.442 1.00 0.00 H new ATOM 0 HA LEU B 2 90.270 -17.369 23.648 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.888 -17.891 20.648 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.895 -18.498 21.958 1.00 0.00 H new ATOM 0 HG LEU B 2 89.136 -15.604 21.018 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.692 -15.850 20.650 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.607 -17.060 19.720 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.778 -17.533 21.222 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.553 -15.040 22.844 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.645 -16.715 23.438 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.086 -15.672 23.492 1.00 0.00 H new ATOM 885 N ASP B 3 92.576 -18.382 21.548 1.00 0.00 N ATOM 886 CA ASP B 3 93.575 -19.472 21.343 1.00 0.00 C ATOM 887 C ASP B 3 94.515 -19.612 22.545 1.00 0.00 C ATOM 888 O ASP B 3 94.613 -20.659 23.160 1.00 0.00 O ATOM 889 CB ASP B 3 94.406 -19.167 20.097 1.00 0.00 C ATOM 890 CG ASP B 3 94.970 -17.746 20.191 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.323 -16.906 20.799 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.041 -17.524 19.653 1.00 0.00 O ATOM 0 H ASP B 3 92.670 -17.581 20.923 1.00 0.00 H new ATOM 0 HA ASP B 3 93.030 -20.408 21.224 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.219 -19.887 20.005 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.790 -19.266 19.203 1.00 0.00 H new ATOM 897 N GLY B 4 95.229 -18.572 22.869 1.00 0.00 N ATOM 898 CA GLY B 4 96.187 -18.657 24.009 1.00 0.00 C ATOM 899 C GLY B 4 95.431 -18.905 25.314 1.00 0.00 C ATOM 900 O GLY B 4 95.832 -19.711 26.131 1.00 0.00 O ATOM 0 H GLY B 4 95.192 -17.669 22.397 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.901 -19.462 23.835 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.760 -17.733 24.082 1.00 0.00 H new ATOM 904 N ILE B 5 94.346 -18.219 25.524 1.00 0.00 N ATOM 905 CA ILE B 5 93.592 -18.421 26.783 1.00 0.00 C ATOM 906 C ILE B 5 93.158 -19.880 26.901 1.00 0.00 C ATOM 907 O ILE B 5 93.206 -20.452 27.966 1.00 0.00 O ATOM 908 CB ILE B 5 92.359 -17.517 26.790 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.814 -16.062 26.925 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.452 -17.879 27.972 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.636 -15.100 26.690 1.00 0.00 C ATOM 0 H ILE B 5 93.952 -17.532 24.881 1.00 0.00 H new ATOM 0 HA ILE B 5 94.232 -18.170 27.629 1.00 0.00 H new ATOM 0 HB ILE B 5 91.803 -17.651 25.862 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.232 -15.897 27.918 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.607 -15.856 26.207 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.576 -17.231 27.970 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.135 -18.918 27.882 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.000 -17.746 28.905 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.981 -14.071 26.791 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.236 -15.252 25.687 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.855 -15.294 27.425 1.00 0.00 H new ATOM 923 N ASP B 6 92.745 -20.497 25.833 1.00 0.00 N ATOM 924 CA ASP B 6 92.315 -21.919 25.947 1.00 0.00 C ATOM 925 C ASP B 6 93.451 -22.723 26.562 1.00 0.00 C ATOM 926 O ASP B 6 93.248 -23.531 27.444 1.00 0.00 O ATOM 927 CB ASP B 6 91.986 -22.471 24.561 1.00 0.00 C ATOM 928 CG ASP B 6 90.700 -21.820 24.056 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.937 -21.345 24.880 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.503 -21.800 22.853 1.00 0.00 O ATOM 0 H ASP B 6 92.686 -20.089 24.900 1.00 0.00 H new ATOM 0 HA ASP B 6 91.427 -21.989 26.575 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.806 -22.269 23.871 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.867 -23.554 24.606 1.00 0.00 H new ATOM 935 N LYS B 7 94.652 -22.503 26.123 1.00 0.00 N ATOM 936 CA LYS B 7 95.789 -23.246 26.718 1.00 0.00 C ATOM 937 C LYS B 7 96.038 -22.741 28.140 1.00 0.00 C ATOM 938 O LYS B 7 96.184 -23.512 29.070 1.00 0.00 O ATOM 939 CB LYS B 7 97.036 -23.045 25.857 1.00 0.00 C ATOM 940 CG LYS B 7 98.146 -23.970 26.353 1.00 0.00 C ATOM 941 CD LYS B 7 99.377 -23.794 25.466 1.00 0.00 C ATOM 942 CE LYS B 7 100.442 -24.816 25.863 1.00 0.00 C ATOM 943 NZ LYS B 7 101.684 -24.556 25.082 1.00 0.00 N ATOM 0 H LYS B 7 94.896 -21.845 25.383 1.00 0.00 H new ATOM 0 HA LYS B 7 95.555 -24.310 26.756 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.809 -23.258 24.812 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.363 -22.006 25.907 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.393 -23.739 27.389 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.810 -25.007 26.329 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.105 -23.924 24.419 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.771 -22.783 25.569 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.649 -24.748 26.931 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.082 -25.827 25.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 102.413 -25.249 25.348 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.479 -24.642 24.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 102.028 -23.596 25.286 1.00 0.00 H new ATOM 957 N ALA B 8 96.073 -21.449 28.316 1.00 0.00 N ATOM 958 CA ALA B 8 96.301 -20.888 29.676 1.00 0.00 C ATOM 959 C ALA B 8 95.129 -21.267 30.588 1.00 0.00 C ATOM 960 O ALA B 8 95.304 -21.506 31.769 1.00 0.00 O ATOM 961 CB ALA B 8 96.444 -19.365 29.588 1.00 0.00 C ATOM 0 H ALA B 8 95.953 -20.757 27.576 1.00 0.00 H new ATOM 0 HA ALA B 8 97.219 -21.300 30.095 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.611 -18.957 30.585 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.290 -19.115 28.948 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.533 -18.938 29.169 1.00 0.00 H new ATOM 967 N GLN B 9 93.938 -21.342 30.049 1.00 0.00 N ATOM 968 CA GLN B 9 92.770 -21.718 30.889 1.00 0.00 C ATOM 969 C GLN B 9 93.030 -23.073 31.539 1.00 0.00 C ATOM 970 O GLN B 9 92.712 -23.284 32.692 1.00 0.00 O ATOM 971 CB GLN B 9 91.511 -21.815 30.018 1.00 0.00 C ATOM 972 CG GLN B 9 90.282 -21.962 30.922 1.00 0.00 C ATOM 973 CD GLN B 9 89.023 -22.087 30.060 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.056 -21.822 28.876 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.910 -22.496 30.610 1.00 0.00 N ATOM 0 H GLN B 9 93.729 -21.159 29.068 1.00 0.00 H new ATOM 0 HA GLN B 9 92.623 -20.958 31.657 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.415 -20.925 29.396 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.586 -22.668 29.344 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.389 -22.841 31.558 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.199 -21.099 31.583 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.884 -22.718 31.605 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.067 -22.593 30.044 1.00 0.00 H new ATOM 984 N GLU B 10 93.611 -23.995 30.820 1.00 0.00 N ATOM 985 CA GLU B 10 93.885 -25.328 31.424 1.00 0.00 C ATOM 986 C GLU B 10 94.855 -25.151 32.596 1.00 0.00 C ATOM 987 O GLU B 10 94.706 -25.766 33.633 1.00 0.00 O ATOM 988 CB GLU B 10 94.510 -26.254 30.383 1.00 0.00 C ATOM 989 CG GLU B 10 94.499 -27.687 30.909 1.00 0.00 C ATOM 990 CD GLU B 10 95.243 -28.600 29.933 1.00 0.00 C ATOM 991 OE1 GLU B 10 94.782 -28.727 28.810 1.00 0.00 O ATOM 992 OE2 GLU B 10 96.259 -29.158 30.327 1.00 0.00 O ATOM 0 H GLU B 10 93.905 -23.884 29.850 1.00 0.00 H new ATOM 0 HA GLU B 10 92.951 -25.768 31.774 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.955 -26.194 29.447 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.532 -25.941 30.168 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.970 -27.728 31.891 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.472 -28.031 31.033 1.00 0.00 H new ATOM 999 N GLU B 11 95.847 -24.308 32.435 1.00 0.00 N ATOM 1000 CA GLU B 11 96.828 -24.085 33.536 1.00 0.00 C ATOM 1001 C GLU B 11 96.113 -23.539 34.767 1.00 0.00 C ATOM 1002 O GLU B 11 96.391 -23.937 35.882 1.00 0.00 O ATOM 1003 CB GLU B 11 97.900 -23.087 33.079 1.00 0.00 C ATOM 1004 CG GLU B 11 98.993 -22.966 34.154 1.00 0.00 C ATOM 1005 CD GLU B 11 98.499 -22.092 35.312 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.550 -21.354 35.111 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.075 -22.178 36.382 1.00 0.00 O ATOM 0 H GLU B 11 96.017 -23.766 31.588 1.00 0.00 H new ATOM 0 HA GLU B 11 97.301 -25.034 33.789 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.339 -23.417 32.137 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.448 -22.112 32.896 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.261 -23.956 34.524 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.894 -22.533 33.720 1.00 0.00 H new ATOM 1014 N HIS B 12 95.194 -22.630 34.590 1.00 0.00 N ATOM 1015 CA HIS B 12 94.483 -22.080 35.779 1.00 0.00 C ATOM 1016 C HIS B 12 93.759 -23.216 36.502 1.00 0.00 C ATOM 1017 O HIS B 12 93.714 -23.271 37.715 1.00 0.00 O ATOM 1018 CB HIS B 12 93.446 -21.034 35.364 1.00 0.00 C ATOM 1019 CG HIS B 12 92.774 -20.541 36.615 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.043 -19.286 37.180 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.919 -21.169 37.482 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.365 -19.209 38.344 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.684 -20.323 38.548 1.00 0.00 N ATOM 0 H HIS B 12 94.908 -22.249 33.688 1.00 0.00 H new ATOM 0 HA HIS B 12 95.220 -21.611 36.431 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.924 -20.209 34.835 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.715 -21.469 34.682 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.643 -18.563 36.783 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.501 -22.156 37.354 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.377 -18.360 39.012 1.00 0.00 H new ATOM 1031 N GLU B 13 93.169 -24.107 35.755 1.00 0.00 N ATOM 1032 CA GLU B 13 92.414 -25.236 36.373 1.00 0.00 C ATOM 1033 C GLU B 13 93.347 -26.102 37.231 1.00 0.00 C ATOM 1034 O GLU B 13 93.018 -26.475 38.341 1.00 0.00 O ATOM 1035 CB GLU B 13 91.809 -26.083 35.245 1.00 0.00 C ATOM 1036 CG GLU B 13 90.854 -27.136 35.819 1.00 0.00 C ATOM 1037 CD GLU B 13 90.303 -27.990 34.673 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.675 -27.733 33.542 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.520 -28.885 34.945 1.00 0.00 O ATOM 0 H GLU B 13 93.177 -24.103 34.735 1.00 0.00 H new ATOM 0 HA GLU B 13 91.628 -24.843 37.018 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.274 -25.440 34.546 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.604 -26.572 34.683 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.377 -27.765 36.539 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.037 -26.651 36.353 1.00 0.00 H new ATOM 1046 N LYS B 14 94.490 -26.446 36.709 1.00 0.00 N ATOM 1047 CA LYS B 14 95.444 -27.312 37.462 1.00 0.00 C ATOM 1048 C LYS B 14 95.913 -26.677 38.772 1.00 0.00 C ATOM 1049 O LYS B 14 96.107 -27.366 39.752 1.00 0.00 O ATOM 1050 CB LYS B 14 96.676 -27.597 36.596 1.00 0.00 C ATOM 1051 CG LYS B 14 96.299 -28.522 35.430 1.00 0.00 C ATOM 1052 CD LYS B 14 97.568 -29.051 34.734 1.00 0.00 C ATOM 1053 CE LYS B 14 98.150 -28.000 33.782 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.227 -27.796 32.633 1.00 0.00 N ATOM 0 H LYS B 14 94.809 -26.162 35.783 1.00 0.00 H new ATOM 0 HA LYS B 14 94.909 -28.231 37.704 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.084 -26.662 36.212 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.456 -28.060 37.200 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.703 -29.357 35.798 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.682 -27.981 34.713 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.313 -29.321 35.483 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.331 -29.959 34.179 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.300 -27.059 34.312 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.127 -28.323 33.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 97.729 -27.303 31.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 96.891 -28.718 32.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 96.414 -27.224 32.938 1.00 0.00 H new ATOM 1068 N TYR B 15 96.178 -25.395 38.782 1.00 0.00 N ATOM 1069 CA TYR B 15 96.729 -24.751 40.023 1.00 0.00 C ATOM 1070 C TYR B 15 95.927 -23.529 40.477 1.00 0.00 C ATOM 1071 O TYR B 15 96.249 -22.929 41.482 1.00 0.00 O ATOM 1072 CB TYR B 15 98.147 -24.291 39.691 1.00 0.00 C ATOM 1073 CG TYR B 15 98.924 -25.456 39.119 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.586 -26.339 39.981 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.986 -25.654 37.726 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.309 -27.417 39.463 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.711 -26.737 37.210 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.371 -27.617 38.079 1.00 0.00 C ATOM 1079 OH TYR B 15 101.084 -28.686 37.569 1.00 0.00 O ATOM 0 H TYR B 15 96.039 -24.766 37.991 1.00 0.00 H new ATOM 0 HA TYR B 15 96.688 -25.479 40.833 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.118 -23.470 38.974 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.640 -23.914 40.587 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.538 -26.187 41.049 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.477 -24.974 37.058 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.820 -28.095 40.130 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.761 -26.894 36.143 1.00 0.00 H new ATOM 0 HH TYR B 15 101.025 -28.682 36.591 1.00 0.00 H new ATOM 1089 N HIS B 16 94.934 -23.115 39.746 1.00 0.00 N ATOM 1090 CA HIS B 16 94.184 -21.883 40.157 1.00 0.00 C ATOM 1091 C HIS B 16 95.219 -20.787 40.387 1.00 0.00 C ATOM 1092 O HIS B 16 95.148 -20.034 41.335 1.00 0.00 O ATOM 1093 CB HIS B 16 93.394 -22.095 41.459 1.00 0.00 C ATOM 1094 CG HIS B 16 92.221 -23.017 41.244 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.992 -22.601 40.737 1.00 0.00 N ATOM 1096 CD2 HIS B 16 92.049 -24.353 41.511 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.148 -23.636 40.713 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.743 -24.737 41.177 1.00 0.00 N ATOM 0 H HIS B 16 94.606 -23.564 38.891 1.00 0.00 H new ATOM 0 HA HIS B 16 93.468 -21.624 39.378 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.052 -22.511 42.222 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.040 -21.134 41.833 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.805 -25.008 41.917 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.126 -23.589 40.366 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.332 -25.666 41.269 1.00 0.00 H new ATOM 1106 N SER B 17 96.209 -20.732 39.547 1.00 0.00 N ATOM 1107 CA SER B 17 97.284 -19.727 39.732 1.00 0.00 C ATOM 1108 C SER B 17 96.719 -18.306 39.647 1.00 0.00 C ATOM 1109 O SER B 17 95.707 -18.058 39.022 1.00 0.00 O ATOM 1110 CB SER B 17 98.348 -19.923 38.654 1.00 0.00 C ATOM 1111 OG SER B 17 97.768 -19.712 37.376 1.00 0.00 O ATOM 0 H SER B 17 96.320 -21.342 38.737 1.00 0.00 H new ATOM 0 HA SER B 17 97.726 -19.863 40.719 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.173 -19.228 38.811 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.763 -20.929 38.716 1.00 0.00 H new ATOM 0 HG SER B 17 98.472 -19.709 36.694 1.00 0.00 H new ATOM 1117 N ASN B 18 97.379 -17.371 40.273 1.00 0.00 N ATOM 1118 CA ASN B 18 96.903 -15.960 40.236 1.00 0.00 C ATOM 1119 C ASN B 18 97.156 -15.381 38.849 1.00 0.00 C ATOM 1120 O ASN B 18 97.970 -15.886 38.098 1.00 0.00 O ATOM 1121 CB ASN B 18 97.658 -15.138 41.282 1.00 0.00 C ATOM 1122 CG ASN B 18 97.382 -15.708 42.674 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.301 -16.412 42.874 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 98.160 -15.514 43.587 1.00 0.00 N flip ATOM 0 H ASN B 18 98.232 -17.525 40.811 1.00 0.00 H new ATOM 0 HA ASN B 18 95.836 -15.927 40.455 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.728 -15.159 41.074 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.345 -14.095 41.236 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.004 -14.964 43.429 1.00 0.00 H new ATOM 0 HD22 ASN B 18 97.969 -15.901 44.511 1.00 0.00 H new ATOM 1131 N TRP B 19 96.464 -14.333 38.494 1.00 0.00 N ATOM 1132 CA TRP B 19 96.663 -13.738 37.140 1.00 0.00 C ATOM 1133 C TRP B 19 98.130 -13.353 36.919 1.00 0.00 C ATOM 1134 O TRP B 19 98.618 -13.387 35.808 1.00 0.00 O ATOM 1135 CB TRP B 19 95.751 -12.519 36.967 1.00 0.00 C ATOM 1136 CG TRP B 19 96.245 -11.363 37.779 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.765 -10.992 38.994 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.287 -10.405 37.444 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.447 -9.865 39.413 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.396 -9.470 38.494 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.138 -10.266 36.335 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.322 -8.427 38.445 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 99.070 -9.221 36.283 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.160 -8.302 37.332 1.00 0.00 C ATOM 0 H TRP B 19 95.772 -13.864 39.079 1.00 0.00 H new ATOM 0 HA TRP B 19 96.400 -14.485 36.391 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.709 -12.238 35.915 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.735 -12.774 37.270 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.981 -11.494 39.542 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.270 -9.384 40.295 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.074 -10.969 35.518 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.391 -7.722 39.260 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.722 -9.125 35.428 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.876 -7.495 37.283 1.00 0.00 H new ATOM 1155 N ARG B 20 98.846 -12.995 37.952 1.00 0.00 N ATOM 1156 CA ARG B 20 100.281 -12.622 37.765 1.00 0.00 C ATOM 1157 C ARG B 20 101.065 -13.830 37.259 1.00 0.00 C ATOM 1158 O ARG B 20 101.928 -13.718 36.413 1.00 0.00 O ATOM 1159 CB ARG B 20 100.882 -12.167 39.094 1.00 0.00 C ATOM 1160 CG ARG B 20 100.163 -10.914 39.595 1.00 0.00 C ATOM 1161 CD ARG B 20 100.774 -10.491 40.934 1.00 0.00 C ATOM 1162 NE ARG B 20 102.170 -10.021 40.716 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.760 -9.298 41.627 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.126 -8.984 42.724 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.978 -8.874 41.433 1.00 0.00 N ATOM 0 H ARG B 20 98.503 -12.944 38.911 1.00 0.00 H new ATOM 0 HA ARG B 20 100.339 -11.810 37.040 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.797 -12.964 39.832 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.945 -11.960 38.969 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.258 -10.109 38.867 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.098 -11.113 39.713 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.178 -9.697 41.383 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.766 -11.329 41.631 1.00 0.00 H new ATOM 0 HE ARG B 20 102.663 -10.264 39.857 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.168 -9.304 42.869 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.588 -8.419 43.436 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.468 -9.108 40.570 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.441 -8.308 42.145 1.00 0.00 H new ATOM 1179 N ALA B 21 100.780 -14.986 37.782 1.00 0.00 N ATOM 1180 CA ALA B 21 101.519 -16.197 37.332 1.00 0.00 C ATOM 1181 C ALA B 21 101.135 -16.497 35.884 1.00 0.00 C ATOM 1182 O ALA B 21 101.982 -16.710 35.034 1.00 0.00 O ATOM 1183 CB ALA B 21 101.142 -17.380 38.240 1.00 0.00 C ATOM 0 H ALA B 21 100.071 -15.146 38.498 1.00 0.00 H new ATOM 0 HA ALA B 21 102.595 -16.033 37.392 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.679 -18.272 37.917 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.410 -17.148 39.271 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.069 -17.560 38.176 1.00 0.00 H new ATOM 1189 N MET B 22 99.860 -16.510 35.601 1.00 0.00 N ATOM 1190 CA MET B 22 99.410 -16.793 34.209 1.00 0.00 C ATOM 1191 C MET B 22 99.964 -15.731 33.266 1.00 0.00 C ATOM 1192 O MET B 22 100.418 -16.025 32.178 1.00 0.00 O ATOM 1193 CB MET B 22 97.882 -16.774 34.150 1.00 0.00 C ATOM 1194 CG MET B 22 97.320 -18.006 34.863 1.00 0.00 C ATOM 1195 SD MET B 22 95.546 -18.120 34.545 1.00 0.00 S ATOM 1196 CE MET B 22 95.032 -16.695 35.535 1.00 0.00 C ATOM 0 H MET B 22 99.112 -16.337 36.273 1.00 0.00 H new ATOM 0 HA MET B 22 99.774 -17.775 33.906 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.502 -15.866 34.619 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.549 -16.760 33.112 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.823 -18.906 34.510 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.506 -17.937 35.935 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.972 -16.780 35.772 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.610 -16.667 36.459 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.205 -15.779 34.971 1.00 0.00 H new ATOM 1206 N ALA B 23 99.933 -14.493 33.673 1.00 0.00 N ATOM 1207 CA ALA B 23 100.466 -13.415 32.791 1.00 0.00 C ATOM 1208 C ALA B 23 101.934 -13.710 32.472 1.00 0.00 C ATOM 1209 O ALA B 23 102.364 -13.636 31.334 1.00 0.00 O ATOM 1210 CB ALA B 23 100.357 -12.067 33.511 1.00 0.00 C ATOM 0 H ALA B 23 99.565 -14.181 34.572 1.00 0.00 H new ATOM 0 HA ALA B 23 99.891 -13.376 31.866 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.746 -11.278 32.867 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.312 -11.862 33.744 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.935 -12.100 34.435 1.00 0.00 H new ATOM 1216 N SER B 24 102.700 -14.052 33.470 1.00 0.00 N ATOM 1217 CA SER B 24 104.140 -14.365 33.240 1.00 0.00 C ATOM 1218 C SER B 24 104.289 -15.685 32.472 1.00 0.00 C ATOM 1219 O SER B 24 105.163 -15.835 31.641 1.00 0.00 O ATOM 1220 CB SER B 24 104.858 -14.488 34.581 1.00 0.00 C ATOM 1221 OG SER B 24 106.217 -14.842 34.348 1.00 0.00 O ATOM 0 H SER B 24 102.391 -14.129 34.439 1.00 0.00 H new ATOM 0 HA SER B 24 104.579 -13.559 32.653 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.802 -13.545 35.126 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.373 -15.243 35.200 1.00 0.00 H new ATOM 0 HG SER B 24 106.686 -14.922 35.205 1.00 0.00 H new ATOM 1227 N ASP B 25 103.452 -16.653 32.758 1.00 0.00 N ATOM 1228 CA ASP B 25 103.564 -17.974 32.065 1.00 0.00 C ATOM 1229 C ASP B 25 103.395 -17.795 30.556 1.00 0.00 C ATOM 1230 O ASP B 25 104.085 -18.420 29.771 1.00 0.00 O ATOM 1231 CB ASP B 25 102.468 -18.914 32.575 1.00 0.00 C ATOM 1232 CG ASP B 25 102.727 -19.263 34.041 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.851 -19.092 34.478 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.793 -19.696 34.701 1.00 0.00 O ATOM 0 H ASP B 25 102.697 -16.585 33.441 1.00 0.00 H new ATOM 0 HA ASP B 25 104.547 -18.396 32.273 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.492 -18.440 32.471 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.446 -19.823 31.973 1.00 0.00 H new ATOM 1239 N PHE B 26 102.486 -16.949 30.145 1.00 0.00 N ATOM 1240 CA PHE B 26 102.262 -16.722 28.683 1.00 0.00 C ATOM 1241 C PHE B 26 102.715 -15.312 28.298 1.00 0.00 C ATOM 1242 O PHE B 26 102.647 -14.920 27.152 1.00 0.00 O ATOM 1243 CB PHE B 26 100.776 -16.909 28.378 1.00 0.00 C ATOM 1244 CG PHE B 26 100.391 -18.320 28.754 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.548 -19.355 27.830 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.891 -18.595 30.035 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.206 -20.666 28.182 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.553 -19.905 30.388 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.709 -20.941 29.462 1.00 0.00 C ATOM 0 H PHE B 26 101.885 -16.402 30.762 1.00 0.00 H new ATOM 0 HA PHE B 26 102.844 -17.437 28.102 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.179 -16.190 28.939 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.579 -16.730 27.321 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.933 -19.144 26.843 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.767 -17.794 30.749 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.325 -21.466 27.466 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.171 -20.117 31.376 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.446 -21.953 29.734 1.00 0.00 H new ATOM 1259 N ASN B 27 103.192 -14.551 29.241 1.00 0.00 N ATOM 1260 CA ASN B 27 103.666 -13.173 28.921 1.00 0.00 C ATOM 1261 C ASN B 27 102.530 -12.356 28.307 1.00 0.00 C ATOM 1262 O ASN B 27 102.697 -11.729 27.275 1.00 0.00 O ATOM 1263 CB ASN B 27 104.830 -13.246 27.928 1.00 0.00 C ATOM 1264 CG ASN B 27 105.597 -11.922 27.951 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.090 -10.919 28.409 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.805 -11.879 27.473 1.00 0.00 N ATOM 0 H ASN B 27 103.275 -14.822 30.221 1.00 0.00 H new ATOM 0 HA ASN B 27 103.998 -12.692 29.841 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.495 -14.069 28.189 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.455 -13.445 26.924 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.327 -11.002 27.483 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.231 -12.722 27.088 1.00 0.00 H new ATOM 1273 N LEU B 28 101.383 -12.354 28.935 1.00 0.00 N ATOM 1274 CA LEU B 28 100.219 -11.574 28.408 1.00 0.00 C ATOM 1275 C LEU B 28 99.827 -10.531 29.455 1.00 0.00 C ATOM 1276 O LEU B 28 100.045 -10.737 30.631 1.00 0.00 O ATOM 1277 CB LEU B 28 99.041 -12.536 28.180 1.00 0.00 C ATOM 1278 CG LEU B 28 99.360 -13.483 27.006 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.370 -14.652 27.010 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.259 -12.731 25.663 1.00 0.00 C ATOM 0 H LEU B 28 101.199 -12.864 29.799 1.00 0.00 H new ATOM 0 HA LEU B 28 100.478 -11.084 27.470 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.851 -13.114 29.084 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.134 -11.971 27.967 1.00 0.00 H new ATOM 0 HG LEU B 28 100.377 -13.858 27.124 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.595 -15.322 26.180 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.455 -15.197 27.950 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.355 -14.270 26.903 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.487 -13.415 24.845 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.248 -12.342 25.539 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.970 -11.905 25.654 1.00 0.00 H new ATOM 1292 N PRO B 29 99.245 -9.423 29.058 1.00 0.00 N ATOM 1293 CA PRO B 29 98.829 -8.371 30.029 1.00 0.00 C ATOM 1294 C PRO B 29 97.818 -8.918 31.047 1.00 0.00 C ATOM 1295 O PRO B 29 97.221 -9.959 30.842 1.00 0.00 O ATOM 1296 CB PRO B 29 98.201 -7.267 29.152 1.00 0.00 C ATOM 1297 CG PRO B 29 97.892 -7.925 27.841 1.00 0.00 C ATOM 1298 CD PRO B 29 98.926 -9.038 27.671 1.00 0.00 C ATOM 0 HA PRO B 29 99.666 -8.002 30.622 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.298 -6.866 29.612 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.889 -6.432 29.020 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.880 -8.329 27.837 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.952 -7.209 27.022 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.523 -9.877 27.104 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.810 -8.687 27.138 1.00 0.00 H new ATOM 1306 N PRO B 30 97.635 -8.222 32.135 1.00 0.00 N ATOM 1307 CA PRO B 30 96.686 -8.639 33.210 1.00 0.00 C ATOM 1308 C PRO B 30 95.260 -8.806 32.672 1.00 0.00 C ATOM 1309 O PRO B 30 94.493 -9.604 33.154 1.00 0.00 O ATOM 1310 CB PRO B 30 96.753 -7.482 34.232 1.00 0.00 C ATOM 1311 CG PRO B 30 97.353 -6.335 33.484 1.00 0.00 C ATOM 1312 CD PRO B 30 98.302 -6.960 32.468 1.00 0.00 C ATOM 0 HA PRO B 30 96.950 -9.605 33.640 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.761 -7.231 34.609 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.363 -7.752 35.094 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.583 -5.744 32.989 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.886 -5.664 34.157 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.430 -6.326 31.591 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.294 -7.125 32.889 1.00 0.00 H new ATOM 1320 N VAL B 31 94.900 -8.054 31.681 1.00 0.00 N ATOM 1321 CA VAL B 31 93.522 -8.170 31.141 1.00 0.00 C ATOM 1322 C VAL B 31 93.269 -9.613 30.734 1.00 0.00 C ATOM 1323 O VAL B 31 92.263 -10.201 31.087 1.00 0.00 O ATOM 1324 CB VAL B 31 93.380 -7.270 29.903 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.954 -7.343 29.332 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.696 -5.822 30.283 1.00 0.00 C ATOM 0 H VAL B 31 95.495 -7.365 31.221 1.00 0.00 H new ATOM 0 HA VAL B 31 92.804 -7.864 31.902 1.00 0.00 H new ATOM 0 HB VAL B 31 94.079 -7.619 29.143 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.879 -6.698 28.457 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.729 -8.370 29.046 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.242 -7.013 30.088 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.595 -5.185 29.404 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.002 -5.489 31.055 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.716 -5.759 30.661 1.00 0.00 H new ATOM 1336 N VAL B 32 94.162 -10.191 29.985 1.00 0.00 N ATOM 1337 CA VAL B 32 93.941 -11.591 29.561 1.00 0.00 C ATOM 1338 C VAL B 32 94.039 -12.509 30.778 1.00 0.00 C ATOM 1339 O VAL B 32 93.185 -13.340 31.017 1.00 0.00 O ATOM 1340 CB VAL B 32 94.988 -11.989 28.516 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.746 -13.440 28.066 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.879 -11.051 27.310 1.00 0.00 C ATOM 0 H VAL B 32 95.024 -9.759 29.653 1.00 0.00 H new ATOM 0 HA VAL B 32 92.950 -11.686 29.118 1.00 0.00 H new ATOM 0 HB VAL B 32 95.985 -11.911 28.951 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.493 -13.720 27.323 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.823 -14.105 28.926 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.751 -13.525 27.630 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.622 -11.330 26.563 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.882 -11.130 26.877 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.055 -10.024 27.631 1.00 0.00 H new ATOM 1352 N ALA B 33 95.075 -12.361 31.551 1.00 0.00 N ATOM 1353 CA ALA B 33 95.236 -13.226 32.754 1.00 0.00 C ATOM 1354 C ALA B 33 94.105 -12.960 33.762 1.00 0.00 C ATOM 1355 O ALA B 33 93.534 -13.882 34.307 1.00 0.00 O ATOM 1356 CB ALA B 33 96.591 -12.939 33.410 1.00 0.00 C ATOM 0 H ALA B 33 95.819 -11.679 31.404 1.00 0.00 H new ATOM 0 HA ALA B 33 95.191 -14.271 32.447 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.710 -13.571 34.290 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.391 -13.150 32.700 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.637 -11.891 33.707 1.00 0.00 H new ATOM 1362 N LYS B 34 93.775 -11.720 34.028 1.00 0.00 N ATOM 1363 CA LYS B 34 92.680 -11.456 35.006 1.00 0.00 C ATOM 1364 C LYS B 34 91.359 -12.022 34.489 1.00 0.00 C ATOM 1365 O LYS B 34 90.530 -12.472 35.255 1.00 0.00 O ATOM 1366 CB LYS B 34 92.526 -9.957 35.260 1.00 0.00 C ATOM 1367 CG LYS B 34 93.731 -9.433 36.055 1.00 0.00 C ATOM 1368 CD LYS B 34 93.443 -8.013 36.561 1.00 0.00 C ATOM 1369 CE LYS B 34 92.941 -7.117 35.413 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.466 -7.288 35.241 1.00 0.00 N ATOM 0 H LYS B 34 94.209 -10.893 33.617 1.00 0.00 H new ATOM 0 HA LYS B 34 92.942 -11.947 35.943 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.446 -9.425 34.312 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.605 -9.766 35.811 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.938 -10.094 36.897 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.621 -9.431 35.425 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.696 -8.049 37.354 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.347 -7.585 36.994 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.172 -6.074 35.627 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.456 -7.374 34.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.066 -6.434 34.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.281 -8.109 34.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 91.024 -7.440 36.170 1.00 0.00 H new ATOM 1384 N GLU B 35 91.140 -11.987 33.202 1.00 0.00 N ATOM 1385 CA GLU B 35 89.858 -12.514 32.664 1.00 0.00 C ATOM 1386 C GLU B 35 89.714 -13.993 33.018 1.00 0.00 C ATOM 1387 O GLU B 35 88.642 -14.456 33.352 1.00 0.00 O ATOM 1388 CB GLU B 35 89.827 -12.331 31.146 1.00 0.00 C ATOM 1389 CG GLU B 35 88.443 -12.711 30.600 1.00 0.00 C ATOM 1390 CD GLU B 35 88.309 -14.236 30.509 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.330 -14.907 30.460 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.185 -14.707 30.495 1.00 0.00 O ATOM 0 H GLU B 35 91.789 -11.619 32.507 1.00 0.00 H new ATOM 0 HA GLU B 35 89.027 -11.965 33.107 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.056 -11.296 30.891 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.593 -12.951 30.681 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.665 -12.309 31.249 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.298 -12.267 29.615 1.00 0.00 H new ATOM 1399 N ILE B 36 90.773 -14.748 32.947 1.00 0.00 N ATOM 1400 CA ILE B 36 90.655 -16.188 33.294 1.00 0.00 C ATOM 1401 C ILE B 36 90.199 -16.324 34.744 1.00 0.00 C ATOM 1402 O ILE B 36 89.390 -17.167 35.069 1.00 0.00 O ATOM 1403 CB ILE B 36 91.998 -16.894 33.081 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.385 -16.766 31.601 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.864 -18.379 33.458 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.715 -17.475 31.339 1.00 0.00 C ATOM 0 H ILE B 36 91.703 -14.435 32.668 1.00 0.00 H new ATOM 0 HA ILE B 36 89.917 -16.659 32.645 1.00 0.00 H new ATOM 0 HB ILE B 36 92.766 -16.439 33.707 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.605 -17.198 30.975 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.466 -15.714 31.328 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.820 -18.881 33.306 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.572 -18.464 34.505 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.105 -18.847 32.831 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.978 -17.377 30.286 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.495 -17.023 31.952 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.621 -18.531 31.593 1.00 0.00 H new ATOM 1418 N VAL B 37 90.705 -15.501 35.620 1.00 0.00 N ATOM 1419 CA VAL B 37 90.280 -15.593 37.043 1.00 0.00 C ATOM 1420 C VAL B 37 88.797 -15.243 37.137 1.00 0.00 C ATOM 1421 O VAL B 37 88.050 -15.841 37.882 1.00 0.00 O ATOM 1422 CB VAL B 37 91.113 -14.632 37.898 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.666 -14.720 39.359 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.585 -15.044 37.798 1.00 0.00 C ATOM 0 H VAL B 37 91.390 -14.774 35.413 1.00 0.00 H new ATOM 0 HA VAL B 37 90.437 -16.606 37.415 1.00 0.00 H new ATOM 0 HB VAL B 37 90.979 -13.610 37.543 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.261 -14.035 39.963 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.613 -14.449 39.434 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.805 -15.738 39.721 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.193 -14.370 38.401 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.703 -16.064 38.163 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.908 -14.991 36.758 1.00 0.00 H new ATOM 1434 N ALA B 38 88.365 -14.285 36.372 1.00 0.00 N ATOM 1435 CA ALA B 38 86.929 -13.885 36.399 1.00 0.00 C ATOM 1436 C ALA B 38 86.049 -15.073 35.998 1.00 0.00 C ATOM 1437 O ALA B 38 84.922 -15.206 36.445 1.00 0.00 O ATOM 1438 CB ALA B 38 86.702 -12.754 35.400 1.00 0.00 C ATOM 0 H ALA B 38 88.947 -13.756 35.723 1.00 0.00 H new ATOM 0 HA ALA B 38 86.670 -13.559 37.406 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.653 -12.459 35.417 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.324 -11.900 35.670 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.967 -13.094 34.399 1.00 0.00 H new ATOM 1444 N SER B 39 86.541 -15.923 35.137 1.00 0.00 N ATOM 1445 CA SER B 39 85.726 -17.087 34.683 1.00 0.00 C ATOM 1446 C SER B 39 85.728 -18.179 35.757 1.00 0.00 C ATOM 1447 O SER B 39 84.840 -19.006 35.818 1.00 0.00 O ATOM 1448 CB SER B 39 86.322 -17.644 33.389 1.00 0.00 C ATOM 1449 OG SER B 39 86.496 -16.582 32.457 1.00 0.00 O ATOM 0 H SER B 39 87.473 -15.861 34.728 1.00 0.00 H new ATOM 0 HA SER B 39 84.700 -16.762 34.508 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.279 -18.125 33.593 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.665 -18.406 32.971 1.00 0.00 H new ATOM 0 HG SER B 39 87.268 -16.038 32.721 1.00 0.00 H new ATOM 1455 N CYS B 40 86.725 -18.194 36.599 1.00 0.00 N ATOM 1456 CA CYS B 40 86.785 -19.238 37.666 1.00 0.00 C ATOM 1457 C CYS B 40 85.899 -18.820 38.847 1.00 0.00 C ATOM 1458 O CYS B 40 86.248 -17.958 39.627 1.00 0.00 O ATOM 1459 CB CYS B 40 88.230 -19.386 38.141 1.00 0.00 C ATOM 1460 SG CYS B 40 88.329 -20.626 39.459 1.00 0.00 S ATOM 0 H CYS B 40 87.500 -17.531 36.596 1.00 0.00 H new ATOM 0 HA CYS B 40 86.429 -20.188 37.268 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.867 -19.679 37.307 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.602 -18.428 38.504 1.00 0.00 H new ATOM 1465 N ASP B 41 84.746 -19.418 38.977 1.00 0.00 N ATOM 1466 CA ASP B 41 83.836 -19.053 40.101 1.00 0.00 C ATOM 1467 C ASP B 41 84.515 -19.320 41.452 1.00 0.00 C ATOM 1468 O ASP B 41 84.241 -18.655 42.429 1.00 0.00 O ATOM 1469 CB ASP B 41 82.549 -19.881 40.006 1.00 0.00 C ATOM 1470 CG ASP B 41 81.780 -19.475 38.745 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.065 -18.413 38.216 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.921 -20.232 38.329 1.00 0.00 O ATOM 0 H ASP B 41 84.394 -20.144 38.353 1.00 0.00 H new ATOM 0 HA ASP B 41 83.600 -17.991 40.030 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.788 -20.944 39.974 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.932 -19.719 40.890 1.00 0.00 H new ATOM 1477 N LYS B 42 85.381 -20.298 41.528 1.00 0.00 N ATOM 1478 CA LYS B 42 86.041 -20.605 42.837 1.00 0.00 C ATOM 1479 C LYS B 42 87.007 -19.485 43.237 1.00 0.00 C ATOM 1480 O LYS B 42 87.104 -19.124 44.394 1.00 0.00 O ATOM 1481 CB LYS B 42 86.807 -21.926 42.730 1.00 0.00 C ATOM 1482 CG LYS B 42 85.823 -23.061 42.443 1.00 0.00 C ATOM 1483 CD LYS B 42 86.562 -24.396 42.521 1.00 0.00 C ATOM 1484 CE LYS B 42 85.614 -25.531 42.136 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.233 -26.838 42.504 1.00 0.00 N ATOM 0 H LYS B 42 85.659 -20.894 40.748 1.00 0.00 H new ATOM 0 HA LYS B 42 85.268 -20.687 43.601 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.551 -21.865 41.935 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.346 -22.123 43.657 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.006 -23.041 43.164 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.380 -22.934 41.455 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.423 -24.386 41.853 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.943 -24.554 43.530 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.659 -25.411 42.647 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.409 -25.501 41.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.590 -27.612 42.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.134 -26.950 41.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.407 -26.863 43.529 1.00 0.00 H new ATOM 1499 N CYS B 43 87.730 -18.937 42.302 1.00 0.00 N ATOM 1500 CA CYS B 43 88.688 -17.847 42.649 1.00 0.00 C ATOM 1501 C CYS B 43 87.956 -16.497 42.679 1.00 0.00 C ATOM 1502 O CYS B 43 88.351 -15.581 43.378 1.00 0.00 O ATOM 1503 CB CYS B 43 89.803 -17.805 41.602 1.00 0.00 C ATOM 1504 SG CYS B 43 90.916 -19.223 41.823 1.00 0.00 S ATOM 0 H CYS B 43 87.701 -19.194 41.315 1.00 0.00 H new ATOM 0 HA CYS B 43 89.116 -18.040 43.633 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.373 -17.822 40.600 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.364 -16.875 41.693 1.00 0.00 H new ATOM 1509 N GLN B 44 86.907 -16.354 41.905 1.00 0.00 N ATOM 1510 CA GLN B 44 86.171 -15.047 41.873 1.00 0.00 C ATOM 1511 C GLN B 44 85.352 -14.833 43.149 1.00 0.00 C ATOM 1512 O GLN B 44 85.433 -13.796 43.785 1.00 0.00 O ATOM 1513 CB GLN B 44 85.219 -15.016 40.668 1.00 0.00 C ATOM 1514 CG GLN B 44 84.611 -13.611 40.542 1.00 0.00 C ATOM 1515 CD GLN B 44 83.611 -13.573 39.384 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.040 -13.747 38.169 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.432 -13.388 39.594 1.00 0.00 N flip ATOM 0 H GLN B 44 86.529 -17.080 41.297 1.00 0.00 H new ATOM 0 HA GLN B 44 86.913 -14.252 41.795 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.758 -15.275 39.757 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.430 -15.757 40.794 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.113 -13.337 41.472 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.400 -12.878 40.375 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.099 -13.252 40.549 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.772 -13.368 38.816 1.00 0.00 H new ATOM 1526 N LEU B 45 84.529 -15.782 43.499 1.00 0.00 N ATOM 1527 CA LEU B 45 83.661 -15.626 44.704 1.00 0.00 C ATOM 1528 C LEU B 45 84.421 -16.043 45.961 1.00 0.00 C ATOM 1529 O LEU B 45 83.836 -16.383 46.967 1.00 0.00 O ATOM 1530 CB LEU B 45 82.422 -16.504 44.539 1.00 0.00 C ATOM 1531 CG LEU B 45 81.651 -16.094 43.275 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.445 -17.021 43.105 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.166 -14.633 43.392 1.00 0.00 C ATOM 0 H LEU B 45 84.418 -16.665 43.000 1.00 0.00 H new ATOM 0 HA LEU B 45 83.367 -14.581 44.805 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.715 -17.552 44.472 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.779 -16.408 45.414 1.00 0.00 H new ATOM 0 HG LEU B 45 82.310 -16.175 42.411 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.891 -16.737 42.210 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.789 -18.051 43.008 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.795 -16.936 43.976 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.621 -14.357 42.489 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.509 -14.536 44.256 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.025 -13.973 43.514 1.00 0.00 H new ATOM 1545 N LYS B 46 85.717 -16.016 45.908 1.00 0.00 N ATOM 1546 CA LYS B 46 86.524 -16.411 47.098 1.00 0.00 C ATOM 1547 C LYS B 46 86.545 -15.258 48.096 1.00 0.00 C ATOM 1548 O LYS B 46 86.665 -14.107 47.732 1.00 0.00 O ATOM 1549 CB LYS B 46 87.961 -16.729 46.670 1.00 0.00 C ATOM 1550 CG LYS B 46 88.712 -17.373 47.839 1.00 0.00 C ATOM 1551 CD LYS B 46 90.147 -17.691 47.412 1.00 0.00 C ATOM 1552 CE LYS B 46 90.806 -18.599 48.451 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.806 -17.920 49.776 1.00 0.00 N ATOM 0 H LYS B 46 86.259 -15.737 45.090 1.00 0.00 H new ATOM 0 HA LYS B 46 86.079 -17.294 47.557 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.956 -17.402 45.813 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.469 -15.817 46.356 1.00 0.00 H new ATOM 0 HG2 LYS B 46 88.717 -16.700 48.696 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.204 -18.285 48.153 1.00 0.00 H new ATOM 0 HD2 LYS B 46 90.147 -18.179 46.437 1.00 0.00 H new ATOM 0 HD3 LYS B 46 90.718 -16.769 47.307 1.00 0.00 H new ATOM 0 HE2 LYS B 46 90.269 -19.545 48.515 1.00 0.00 H new ATOM 0 HE3 LYS B 46 91.827 -18.832 48.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.426 -18.438 50.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 91.154 -16.946 49.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.838 -17.901 50.157 1.00 0.00 H new ATOM 1567 N GLY B 47 86.417 -15.565 49.359 1.00 0.00 N ATOM 1568 CA GLY B 47 86.410 -14.503 50.409 1.00 0.00 C ATOM 1569 C GLY B 47 84.964 -14.258 50.853 1.00 0.00 C ATOM 1570 O GLY B 47 84.058 -14.966 50.457 1.00 0.00 O ATOM 0 H GLY B 47 86.316 -16.516 49.713 1.00 0.00 H new ATOM 0 HA2 GLY B 47 87.019 -14.809 51.259 1.00 0.00 H new ATOM 0 HA3 GLY B 47 86.846 -13.583 50.019 1.00 0.00 H new ATOM 1574 N GLU B 48 84.737 -13.267 51.675 1.00 0.00 N ATOM 1575 CA GLU B 48 83.348 -12.983 52.148 1.00 0.00 C ATOM 1576 C GLU B 48 82.585 -12.169 51.094 1.00 0.00 C ATOM 1577 O GLU B 48 83.100 -11.222 50.546 1.00 0.00 O ATOM 1578 CB GLU B 48 83.408 -12.183 53.456 1.00 0.00 C ATOM 1579 CG GLU B 48 81.992 -12.032 54.025 1.00 0.00 C ATOM 1580 CD GLU B 48 82.029 -11.195 55.306 1.00 0.00 C ATOM 1581 OE1 GLU B 48 83.110 -10.781 55.691 1.00 0.00 O ATOM 1582 OE2 GLU B 48 80.973 -10.981 55.880 1.00 0.00 O ATOM 0 H GLU B 48 85.454 -12.641 52.040 1.00 0.00 H new ATOM 0 HA GLU B 48 82.831 -13.928 52.313 1.00 0.00 H new ATOM 0 HB2 GLU B 48 84.049 -12.690 54.177 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.846 -11.201 53.275 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.344 -11.556 53.289 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.569 -13.014 54.235 1.00 0.00 H new ATOM 1589 N ALA B 49 81.347 -12.525 50.821 1.00 0.00 N ATOM 1590 CA ALA B 49 80.525 -11.764 49.821 1.00 0.00 C ATOM 1591 C ALA B 49 79.429 -10.985 50.562 1.00 0.00 C ATOM 1592 O ALA B 49 79.693 -9.986 51.199 1.00 0.00 O ATOM 1593 CB ALA B 49 79.876 -12.724 48.819 1.00 0.00 C ATOM 0 H ALA B 49 80.869 -13.316 51.252 1.00 0.00 H new ATOM 0 HA ALA B 49 81.173 -11.076 49.278 1.00 0.00 H new ATOM 0 HB1 ALA B 49 79.284 -12.156 48.102 1.00 0.00 H new ATOM 0 HB2 ALA B 49 80.652 -13.278 48.291 1.00 0.00 H new ATOM 0 HB3 ALA B 49 79.229 -13.422 49.351 1.00 0.00 H new ATOM 1599 N MET B 50 78.201 -11.433 50.480 1.00 0.00 N ATOM 1600 CA MET B 50 77.080 -10.725 51.172 1.00 0.00 C ATOM 1601 C MET B 50 76.712 -11.484 52.454 1.00 0.00 C ATOM 1602 O MET B 50 76.409 -12.660 52.411 1.00 0.00 O ATOM 1603 CB MET B 50 75.864 -10.708 50.241 1.00 0.00 C ATOM 1604 CG MET B 50 74.786 -9.773 50.794 1.00 0.00 C ATOM 1605 SD MET B 50 73.312 -9.890 49.747 1.00 0.00 S ATOM 1606 CE MET B 50 72.098 -9.333 50.970 1.00 0.00 C ATOM 0 H MET B 50 77.925 -12.265 49.959 1.00 0.00 H new ATOM 0 HA MET B 50 77.382 -9.708 51.422 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.164 -10.380 49.246 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.463 -11.716 50.137 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.541 -10.046 51.821 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.152 -8.747 50.815 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.197 -8.992 50.459 1.00 0.00 H new ATOM 0 HE2 MET B 50 71.847 -10.159 51.636 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.518 -8.512 51.552 1.00 0.00 H new ATOM 1616 N HIS B 51 76.703 -10.822 53.589 1.00 0.00 N ATOM 1617 CA HIS B 51 76.323 -11.515 54.868 1.00 0.00 C ATOM 1618 C HIS B 51 75.357 -10.632 55.661 1.00 0.00 C ATOM 1619 O HIS B 51 75.224 -10.763 56.860 1.00 0.00 O ATOM 1620 CB HIS B 51 77.578 -11.824 55.698 1.00 0.00 C ATOM 1621 CG HIS B 51 78.147 -10.562 56.292 1.00 0.00 C ATOM 1622 ND1 HIS B 51 78.769 -9.586 55.523 1.00 0.00 N ATOM 1623 CD2 HIS B 51 78.197 -10.108 57.583 1.00 0.00 C ATOM 1624 CE1 HIS B 51 79.159 -8.603 56.356 1.00 0.00 C ATOM 1625 NE2 HIS B 51 78.832 -8.876 57.619 1.00 0.00 N ATOM 0 H HIS B 51 76.941 -9.835 53.687 1.00 0.00 H new ATOM 0 HA HIS B 51 75.829 -12.458 54.634 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.330 -12.527 56.493 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.327 -12.306 55.069 1.00 0.00 H new ATOM 0 HD2 HIS B 51 77.802 -10.630 58.442 1.00 0.00 H new ATOM 0 HE1 HIS B 51 79.672 -7.706 56.041 1.00 0.00 H new ATOM 0 HE2 HIS B 51 79.011 -8.299 58.441 1.00 0.00 H new ATOM 1633 N GLY B 52 74.677 -9.737 54.997 1.00 0.00 N ATOM 1634 CA GLY B 52 73.713 -8.847 55.705 1.00 0.00 C ATOM 1635 C GLY B 52 72.460 -9.643 56.084 1.00 0.00 C ATOM 1636 O GLY B 52 72.500 -10.849 56.239 1.00 0.00 O ATOM 0 H GLY B 52 74.748 -9.583 53.991 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.176 -8.431 56.600 1.00 0.00 H new ATOM 0 HA3 GLY B 52 73.442 -8.006 55.066 1.00 0.00 H new ATOM 1640 N GLN B 53 71.344 -8.976 56.238 1.00 0.00 N ATOM 1641 CA GLN B 53 70.088 -9.691 56.608 1.00 0.00 C ATOM 1642 C GLN B 53 70.334 -10.536 57.864 1.00 0.00 C ATOM 1643 O GLN B 53 70.196 -11.743 57.842 1.00 0.00 O ATOM 1644 CB GLN B 53 69.648 -10.599 55.455 1.00 0.00 C ATOM 1645 CG GLN B 53 69.424 -9.744 54.208 1.00 0.00 C ATOM 1646 CD GLN B 53 68.986 -10.623 53.038 1.00 0.00 C ATOM 1647 OE1 GLN B 53 68.462 -11.703 53.232 1.00 0.00 O ATOM 1648 NE2 GLN B 53 69.182 -10.200 51.820 1.00 0.00 N ATOM 0 H GLN B 53 71.250 -7.967 56.123 1.00 0.00 H new ATOM 0 HA GLN B 53 69.303 -8.962 56.807 1.00 0.00 H new ATOM 0 HB2 GLN B 53 70.407 -11.356 55.261 1.00 0.00 H new ATOM 0 HB3 GLN B 53 68.732 -11.127 55.720 1.00 0.00 H new ATOM 0 HG2 GLN B 53 68.665 -8.988 54.408 1.00 0.00 H new ATOM 0 HG3 GLN B 53 70.342 -9.215 53.951 1.00 0.00 H new ATOM 0 HE21 GLN B 53 69.622 -9.294 51.659 1.00 0.00 H new ATOM 0 HE22 GLN B 53 68.896 -10.775 51.028 1.00 0.00 H new ATOM 1657 N VAL B 54 70.707 -9.914 58.957 1.00 0.00 N ATOM 1658 CA VAL B 54 70.970 -10.686 60.211 1.00 0.00 C ATOM 1659 C VAL B 54 72.110 -11.679 59.965 1.00 0.00 C ATOM 1660 O VAL B 54 72.534 -11.877 58.847 1.00 0.00 O ATOM 1661 CB VAL B 54 69.695 -11.440 60.631 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.812 -11.903 62.087 1.00 0.00 C ATOM 1663 CG2 VAL B 54 68.487 -10.509 60.498 1.00 0.00 C ATOM 0 H VAL B 54 70.840 -8.906 59.034 1.00 0.00 H new ATOM 0 HA VAL B 54 71.256 -10.002 61.010 1.00 0.00 H new ATOM 0 HB VAL B 54 69.569 -12.309 59.986 1.00 0.00 H new ATOM 0 HG11 VAL B 54 68.905 -12.435 62.374 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.670 -12.567 62.190 1.00 0.00 H new ATOM 0 HG13 VAL B 54 69.944 -11.036 62.735 1.00 0.00 H new ATOM 0 HG21 VAL B 54 67.583 -11.041 60.795 1.00 0.00 H new ATOM 0 HG22 VAL B 54 68.625 -9.640 61.142 1.00 0.00 H new ATOM 0 HG23 VAL B 54 68.392 -10.182 59.463 1.00 0.00 H new ATOM 1673 N ASP B 55 72.609 -12.297 61.000 1.00 0.00 N ATOM 1674 CA ASP B 55 73.728 -13.268 60.849 1.00 0.00 C ATOM 1675 C ASP B 55 73.493 -14.471 61.766 1.00 0.00 C ATOM 1676 O ASP B 55 74.192 -15.459 61.602 1.00 0.00 O ATOM 1677 CB ASP B 55 75.019 -12.569 61.260 1.00 0.00 C ATOM 1678 CG ASP B 55 75.392 -11.525 60.208 1.00 0.00 C ATOM 1679 OD1 ASP B 55 74.878 -11.615 59.106 1.00 0.00 O ATOM 1680 OD2 ASP B 55 76.186 -10.654 60.522 1.00 0.00 O ATOM 1681 OXT ASP B 55 72.619 -14.384 62.613 1.00 0.00 O ATOM 0 H ASP B 55 72.283 -12.168 61.958 1.00 0.00 H new ATOM 0 HA ASP B 55 73.790 -13.613 59.817 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.893 -12.092 62.232 1.00 0.00 H new ATOM 0 HB3 ASP B 55 75.822 -13.298 61.364 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.874 -2.231 35.783 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.537 -20.739 40.117 1.00 0.00 ZN