USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 LYS NZ :NH3+ 151:sc= 0.00443 (180deg=0) USER MOD Set 1.2: A 123 TYR OH : rot 180:sc= 0.00535 USER MOD Set 2.1: A 80 THR OG1 : rot 74:sc= 0.17 USER MOD Set 2.2: A 107 SER OG : rot 74:sc= 0.955 USER MOD Set 3.1: A 8 MET CE :methyl -172:sc= -3.05 (180deg=-2.12) USER MOD Set 3.2: A 72 SER OG : rot -79:sc= 0.77 USER MOD Set 3.3: A 73 TYR OH : rot -97:sc= 1 USER MOD Set 3.4: A 75 TYR OH : rot -115:sc= 0.34 USER MOD Set 4.1: A 74 SER OG : rot -50:sc= 0.127 USER MOD Set 4.2: A 87 LYS NZ :NH3+ 177:sc= -0.0018 (180deg=-0.0107) USER MOD Set 5.1: A 17 HIS :FLIP no HD1:sc= -0.0962 F(o=-2.4,f=-1.1) USER MOD Set 5.2: A 20 MET CE :methyl 179:sc= -1 (180deg=-0.87) USER MOD Single : A 1 ALA N :NH3+ -120:sc= -1.19 (180deg=-1.46) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.0295 (180deg=0.0284) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.413 K(o=-0.41,f=-2.1) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 25 TYR OH : rot 62:sc= -0.0187 USER MOD Single : A 28 TYR OH : rot -28:sc= 0.893 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 5:sc= 0.221 USER MOD Single : A 48 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-1.7!) USER MOD Single : A 50 ASN : amide:sc= 0.455 X(o=0.46,f=0) USER MOD Single : A 52 TYR OH : rot 51:sc= 0.969 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 140:sc= 0.217 USER MOD Single : A 69 TYR OH : rot -16:sc= -0.0223 USER MOD Single : A 70 THR OG1 : rot -64:sc= 0.243 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -1.62 F(o=-2.1,f=-1.6) USER MOD Single : A 86 SER OG : rot 49:sc= 0.083 USER MOD Single : A 88 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.2!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 101 ASN : amide:sc= -0.0302 K(o=-0.03,f=-1.8) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0437) USER MOD Single : A 111 TYR OH : rot -17:sc= 1.08 USER MOD Single : A 112 ASN : amide:sc= 0.0344 X(o=0.034,f=-0.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.918 X(o=-0.92,f=-0.99) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.945) USER MOD Single : A 117 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 120 THR OG1 : rot 52:sc= 0.268 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.004 2.203 3.758 1.00 0.00 N ATOM 2 CA ALA A 1 -7.430 3.249 4.608 1.00 0.00 C ATOM 3 C ALA A 1 -5.930 3.025 4.781 1.00 0.00 C ATOM 4 O ALA A 1 -5.442 1.897 4.839 1.00 0.00 O ATOM 5 CB ALA A 1 -8.066 3.279 5.998 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.432 2.637 2.915 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.255 1.544 3.465 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.733 1.685 4.289 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.627 4.198 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.608 4.070 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.135 3.468 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.909 2.319 6.491 1.00 0.00 H new ATOM 6 N LEU A 2 -5.252 4.157 4.882 1.00 0.00 N ATOM 7 CA LEU A 2 -3.793 4.275 5.011 1.00 0.00 C ATOM 8 C LEU A 2 -3.405 4.395 6.494 1.00 0.00 C ATOM 9 O LEU A 2 -2.750 3.484 6.972 1.00 0.00 O ATOM 10 CB LEU A 2 -3.501 5.485 4.118 1.00 0.00 C ATOM 11 CG LEU A 2 -2.138 5.793 3.531 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.316 6.831 4.281 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.315 4.569 3.267 1.00 0.00 C ATOM 0 H LEU A 2 -5.717 5.065 4.877 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.196 3.420 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.187 5.414 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.792 6.365 4.692 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.396 6.251 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.361 6.974 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.858 7.776 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.139 6.488 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.352 4.861 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.155 4.030 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.838 3.924 2.560 1.00 0.00 H new ATOM 14 N TRP A 3 -3.834 5.437 7.243 1.00 0.00 N ATOM 15 CA TRP A 3 -3.623 5.546 8.721 1.00 0.00 C ATOM 16 C TRP A 3 -4.001 4.302 9.562 1.00 0.00 C ATOM 17 O TRP A 3 -3.258 3.964 10.487 1.00 0.00 O ATOM 18 CB TRP A 3 -4.285 6.825 9.313 1.00 0.00 C ATOM 19 CG TRP A 3 -5.853 6.820 9.408 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.622 6.253 10.457 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.777 7.038 8.392 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.977 6.125 10.127 1.00 0.00 N ATOM 23 CE2 TRP A 3 -8.044 6.564 8.829 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.586 7.387 7.034 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.087 6.384 7.884 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.645 7.284 6.147 1.00 0.00 C ATOM 27 CH2 TRP A 3 -8.884 6.784 6.569 1.00 0.00 C ATOM 0 H TRP A 3 -4.338 6.231 6.847 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.539 5.619 8.807 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.883 6.986 10.313 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.982 7.678 8.706 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.207 5.952 11.408 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.738 5.784 10.715 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.621 7.731 6.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -10.026 5.942 8.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.514 7.592 5.120 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.695 6.708 5.860 1.00 0.00 H new ATOM 28 N GLN A 4 -5.135 3.642 9.250 1.00 0.00 N ATOM 29 CA GLN A 4 -5.490 2.367 9.902 1.00 0.00 C ATOM 30 C GLN A 4 -4.643 1.139 9.400 1.00 0.00 C ATOM 31 O GLN A 4 -4.444 0.202 10.173 1.00 0.00 O ATOM 32 CB GLN A 4 -7.000 2.096 9.884 1.00 0.00 C ATOM 33 CG GLN A 4 -7.772 2.646 11.099 1.00 0.00 C ATOM 34 CD GLN A 4 -9.276 2.377 11.007 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.772 1.366 11.504 1.00 0.00 O ATOM 36 NE2 GLN A 4 -10.033 3.256 10.371 1.00 0.00 N ATOM 0 H GLN A 4 -5.812 3.966 8.560 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.212 2.492 10.948 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.422 2.530 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.161 1.019 9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.380 2.193 12.010 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.602 3.720 11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.612 4.091 9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.038 3.099 10.289 1.00 0.00 H new ATOM 37 N PHE A 5 -4.144 1.171 8.144 1.00 0.00 N ATOM 38 CA PHE A 5 -3.056 0.257 7.635 1.00 0.00 C ATOM 39 C PHE A 5 -1.721 0.381 8.413 1.00 0.00 C ATOM 40 O PHE A 5 -1.042 -0.623 8.612 1.00 0.00 O ATOM 41 CB PHE A 5 -3.050 0.446 6.110 1.00 0.00 C ATOM 42 CG PHE A 5 -1.822 0.375 5.224 1.00 0.00 C ATOM 43 CD1 PHE A 5 -1.165 1.553 4.915 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.498 -0.765 4.489 1.00 0.00 C ATOM 45 CE1 PHE A 5 -0.216 1.621 3.901 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.588 -0.702 3.426 1.00 0.00 C ATOM 47 CZ PHE A 5 0.060 0.501 3.142 1.00 0.00 C ATOM 0 H PHE A 5 -4.476 1.829 7.439 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.244 -0.798 7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.746 -0.295 5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.492 1.426 5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.396 2.445 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.955 -1.710 4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.304 2.548 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.389 -1.580 2.829 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.773 0.556 2.333 1.00 0.00 H new ATOM 48 N ARG A 6 -1.422 1.592 8.905 1.00 0.00 N ATOM 49 CA ARG A 6 -0.337 1.893 9.887 1.00 0.00 C ATOM 50 C ARG A 6 -0.440 1.345 11.349 1.00 0.00 C ATOM 51 O ARG A 6 0.230 1.794 12.282 1.00 0.00 O ATOM 52 CB ARG A 6 -0.061 3.408 9.973 1.00 0.00 C ATOM 53 CG ARG A 6 -0.143 4.178 8.664 1.00 0.00 C ATOM 54 CD ARG A 6 0.501 3.647 7.373 1.00 0.00 C ATOM 55 NE ARG A 6 1.703 2.813 7.523 1.00 0.00 N ATOM 56 CZ ARG A 6 2.811 3.225 8.164 1.00 0.00 C ATOM 57 NH1 ARG A 6 3.098 4.496 8.442 1.00 0.00 N ATOM 58 NH2 ARG A 6 3.635 2.307 8.592 1.00 0.00 N ATOM 0 H ARG A 6 -1.939 2.427 8.629 1.00 0.00 H new ATOM 0 HA ARG A 6 0.478 1.320 9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.771 3.847 10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.934 3.552 10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.202 4.327 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.286 5.163 8.849 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.248 3.068 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.757 4.501 6.745 1.00 0.00 H new ATOM 0 HE ARG A 6 1.696 1.876 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.454 5.237 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.961 4.728 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.426 1.321 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.488 2.576 9.083 1.00 0.00 H new ATOM 59 N SER A 7 -1.291 0.350 11.476 1.00 0.00 N ATOM 60 CA SER A 7 -1.330 -0.572 12.640 1.00 0.00 C ATOM 61 C SER A 7 -0.424 -1.814 12.452 1.00 0.00 C ATOM 62 O SER A 7 0.424 -2.182 13.267 1.00 0.00 O ATOM 63 CB SER A 7 -2.798 -0.821 13.043 1.00 0.00 C ATOM 64 OG SER A 7 -2.897 -1.723 14.141 1.00 0.00 O ATOM 0 H SER A 7 -1.997 0.137 10.771 1.00 0.00 H new ATOM 0 HA SER A 7 -0.869 -0.108 13.512 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.269 0.126 13.307 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.346 -1.223 12.191 1.00 0.00 H new ATOM 0 HG SER A 7 -3.840 -1.857 14.371 1.00 0.00 H new ATOM 65 N MET A 8 -0.768 -2.443 11.369 1.00 0.00 N ATOM 66 CA MET A 8 -0.382 -3.773 10.924 1.00 0.00 C ATOM 67 C MET A 8 0.671 -3.788 9.796 1.00 0.00 C ATOM 68 O MET A 8 1.191 -4.861 9.522 1.00 0.00 O ATOM 69 CB MET A 8 -1.675 -4.617 10.725 1.00 0.00 C ATOM 70 CG MET A 8 -3.022 -3.864 10.828 1.00 0.00 C ATOM 71 SD MET A 8 -3.051 -2.635 9.502 1.00 0.00 S ATOM 72 CE MET A 8 -2.817 -3.512 7.926 1.00 0.00 C ATOM 0 H MET A 8 -1.393 -2.000 10.695 1.00 0.00 H new ATOM 0 HA MET A 8 0.196 -4.280 11.697 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.624 -5.090 9.744 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.676 -5.417 11.465 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.858 -4.556 10.729 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.120 -3.382 11.801 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.688 -2.787 7.122 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.932 -4.145 7.990 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.691 -4.130 7.720 1.00 0.00 H new ATOM 73 N ILE A 9 1.021 -2.650 9.153 1.00 0.00 N ATOM 74 CA ILE A 9 2.307 -2.494 8.384 1.00 0.00 C ATOM 75 C ILE A 9 3.561 -2.576 9.343 1.00 0.00 C ATOM 76 O ILE A 9 4.621 -3.001 8.900 1.00 0.00 O ATOM 77 CB ILE A 9 2.210 -1.245 7.450 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.109 -1.483 6.376 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.487 -0.800 6.695 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.590 -2.268 5.169 1.00 0.00 C ATOM 0 H ILE A 9 0.436 -1.814 9.144 1.00 0.00 H new ATOM 0 HA ILE A 9 2.467 -3.333 7.707 1.00 0.00 H new ATOM 0 HB ILE A 9 1.993 -0.440 8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.276 -2.015 6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.726 -0.519 6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.264 0.078 6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.268 -0.555 7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.829 -1.609 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.767 -2.394 4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.403 -1.728 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.946 -3.247 5.490 1.00 0.00 H new ATOM 81 N LYS A 10 3.391 -2.237 10.628 1.00 0.00 N ATOM 82 CA LYS A 10 4.348 -2.465 11.741 1.00 0.00 C ATOM 83 C LYS A 10 4.275 -3.853 12.445 1.00 0.00 C ATOM 84 O LYS A 10 5.261 -4.303 13.029 1.00 0.00 O ATOM 85 CB LYS A 10 3.941 -1.453 12.852 1.00 0.00 C ATOM 86 CG LYS A 10 4.336 -0.028 12.514 1.00 0.00 C ATOM 87 CD LYS A 10 3.280 0.762 11.755 1.00 0.00 C ATOM 88 CE LYS A 10 3.406 2.286 11.943 1.00 0.00 C ATOM 89 NZ LYS A 10 3.029 2.764 13.287 1.00 0.00 N ATOM 0 H LYS A 10 2.541 -1.771 10.945 1.00 0.00 H new ATOM 0 HA LYS A 10 5.343 -2.374 11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.863 -1.501 13.005 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.410 -1.743 13.792 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.569 0.499 13.439 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.250 -0.050 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.354 0.527 10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.291 0.443 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.435 2.582 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.780 2.785 11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.092 3.802 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.054 2.470 13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.675 2.357 13.994 1.00 0.00 H new ATOM 90 N CYS A 11 3.099 -4.483 12.455 1.00 0.00 N ATOM 91 CA CYS A 11 3.010 -5.947 12.717 1.00 0.00 C ATOM 92 C CYS A 11 3.710 -6.766 11.573 1.00 0.00 C ATOM 93 O CYS A 11 4.497 -7.659 11.876 1.00 0.00 O ATOM 94 CB CYS A 11 1.561 -6.370 12.943 1.00 0.00 C ATOM 95 SG CYS A 11 1.489 -7.981 13.736 1.00 0.00 S ATOM 0 H CYS A 11 2.202 -4.026 12.290 1.00 0.00 H new ATOM 0 HA CYS A 11 3.550 -6.171 13.637 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.053 -5.631 13.562 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.033 -6.404 11.990 1.00 0.00 H new ATOM 96 N ALA A 12 3.462 -6.359 10.311 1.00 0.00 N ATOM 97 CA ALA A 12 4.162 -6.825 9.097 1.00 0.00 C ATOM 98 C ALA A 12 5.692 -6.616 9.023 1.00 0.00 C ATOM 99 O ALA A 12 6.366 -7.416 8.372 1.00 0.00 O ATOM 100 CB ALA A 12 3.486 -6.093 7.924 1.00 0.00 C ATOM 0 H ALA A 12 2.740 -5.669 10.102 1.00 0.00 H new ATOM 0 HA ALA A 12 4.072 -7.911 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.957 -6.393 6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.427 -6.351 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.594 -5.016 8.056 1.00 0.00 H new ATOM 101 N ILE A 13 6.255 -5.571 9.627 1.00 0.00 N ATOM 102 CA ILE A 13 7.683 -5.259 9.612 1.00 0.00 C ATOM 103 C ILE A 13 7.791 -5.058 11.154 1.00 0.00 C ATOM 104 O ILE A 13 7.395 -3.981 11.616 1.00 0.00 O ATOM 105 CB ILE A 13 7.817 -4.016 8.700 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.945 -4.390 7.197 1.00 0.00 C ATOM 107 CG2 ILE A 13 8.852 -2.981 9.074 1.00 0.00 C ATOM 108 CD1 ILE A 13 6.674 -3.975 6.469 1.00 0.00 C ATOM 0 H ILE A 13 5.709 -4.894 10.160 1.00 0.00 H new ATOM 0 HA ILE A 13 8.451 -5.931 9.228 1.00 0.00 H new ATOM 0 HB ILE A 13 6.866 -3.515 8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.809 -3.892 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.107 -5.463 7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.833 -2.169 8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.630 -2.586 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.840 -3.440 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.758 -4.235 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.820 -4.494 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.533 -2.899 6.568 1.00 0.00 H new ATOM 109 N PRO A 14 8.295 -6.017 11.988 1.00 0.00 N ATOM 110 CA PRO A 14 8.628 -5.790 13.464 1.00 0.00 C ATOM 111 C PRO A 14 9.399 -4.462 13.656 1.00 0.00 C ATOM 112 O PRO A 14 8.892 -3.528 14.282 1.00 0.00 O ATOM 113 CB PRO A 14 9.332 -7.109 13.864 1.00 0.00 C ATOM 114 CG PRO A 14 8.787 -8.142 12.832 1.00 0.00 C ATOM 115 CD PRO A 14 8.751 -7.330 11.529 1.00 0.00 C ATOM 0 HA PRO A 14 7.783 -5.626 14.133 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.417 -7.018 13.806 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.091 -7.398 14.887 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.437 -9.013 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.798 -8.508 13.109 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.732 -7.277 11.056 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.068 -7.764 10.799 1.00 0.00 H new ATOM 116 N GLY A 15 10.536 -4.335 12.944 1.00 0.00 N ATOM 117 CA GLY A 15 10.571 -3.269 11.917 1.00 0.00 C ATOM 118 C GLY A 15 10.926 -1.820 12.240 1.00 0.00 C ATOM 119 O GLY A 15 11.456 -1.548 13.321 1.00 0.00 O ATOM 0 H GLY A 15 11.378 -4.902 13.043 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.275 -3.598 11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.584 -3.251 11.455 1.00 0.00 H new ATOM 120 N SER A 16 10.688 -0.895 11.261 1.00 0.00 N ATOM 121 CA SER A 16 11.252 0.504 11.343 1.00 0.00 C ATOM 122 C SER A 16 10.187 1.628 11.272 1.00 0.00 C ATOM 123 O SER A 16 9.517 1.805 12.294 1.00 0.00 O ATOM 124 CB SER A 16 12.459 0.603 10.386 1.00 0.00 C ATOM 125 OG SER A 16 13.139 1.847 10.527 1.00 0.00 O ATOM 0 H SER A 16 10.128 -1.077 10.428 1.00 0.00 H new ATOM 0 HA SER A 16 11.639 0.694 12.344 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.151 -0.215 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.119 0.488 9.357 1.00 0.00 H new ATOM 0 HG SER A 16 13.899 1.877 9.908 1.00 0.00 H new ATOM 126 N HIS A 17 10.053 2.431 10.169 1.00 0.00 N ATOM 127 CA HIS A 17 8.928 3.361 10.007 1.00 0.00 C ATOM 128 C HIS A 17 8.256 2.657 8.748 1.00 0.00 C ATOM 129 O HIS A 17 8.720 2.914 7.643 1.00 0.00 O ATOM 130 CB HIS A 17 9.177 4.870 9.655 1.00 0.00 C ATOM 131 CG HIS A 17 7.932 5.675 10.112 1.00 0.00 C ATOM 132 ND1 HIS A 17 6.612 5.215 9.914 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 7.943 6.771 10.965 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 5.726 5.953 10.646 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 6.592 6.851 11.216 1.00 0.00 N flip ATOM 0 H HIS A 17 10.715 2.440 9.393 1.00 0.00 H new ATOM 0 HA HIS A 17 8.402 3.480 10.954 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.073 5.236 10.155 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.338 4.991 8.584 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.763 7.377 11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.655 5.857 10.747 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.233 7.582 11.830 1.00 0.00 H new ATOM 136 N PRO A 18 7.198 1.826 8.829 1.00 0.00 N ATOM 137 CA PRO A 18 6.756 1.008 7.638 1.00 0.00 C ATOM 138 C PRO A 18 6.050 1.655 6.445 1.00 0.00 C ATOM 139 O PRO A 18 5.753 0.917 5.505 1.00 0.00 O ATOM 140 CB PRO A 18 6.127 -0.235 8.295 1.00 0.00 C ATOM 141 CG PRO A 18 6.885 -0.296 9.634 1.00 0.00 C ATOM 142 CD PRO A 18 6.789 1.165 10.082 1.00 0.00 C ATOM 0 HA PRO A 18 7.607 0.776 6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.052 -0.123 8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.278 -1.134 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.417 -0.978 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.917 -0.624 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.782 1.443 10.394 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.455 1.394 10.914 1.00 0.00 H new ATOM 143 N LEU A 19 5.710 2.971 6.432 1.00 0.00 N ATOM 144 CA LEU A 19 5.697 3.707 5.160 1.00 0.00 C ATOM 145 C LEU A 19 6.989 4.378 4.807 1.00 0.00 C ATOM 146 O LEU A 19 7.161 4.545 3.631 1.00 0.00 O ATOM 147 CB LEU A 19 4.766 4.948 5.088 1.00 0.00 C ATOM 148 CG LEU A 19 3.629 4.754 4.118 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.755 6.014 4.253 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.179 4.859 2.675 1.00 0.00 C ATOM 0 H LEU A 19 5.453 3.516 7.255 1.00 0.00 H new ATOM 0 HA LEU A 19 5.396 2.882 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.363 5.156 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.349 5.820 4.792 1.00 0.00 H new ATOM 0 HG LEU A 19 3.123 3.807 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.905 5.942 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.394 6.098 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.346 6.895 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.364 4.720 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.626 5.842 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.934 4.089 2.517 1.00 0.00 H new ATOM 151 N MET A 20 7.612 5.104 5.708 1.00 0.00 N ATOM 152 CA MET A 20 8.862 5.878 5.385 1.00 0.00 C ATOM 153 C MET A 20 10.159 5.063 5.107 1.00 0.00 C ATOM 154 O MET A 20 11.144 5.555 4.554 1.00 0.00 O ATOM 155 CB MET A 20 8.826 6.968 6.446 1.00 0.00 C ATOM 156 CG MET A 20 7.842 8.077 6.019 1.00 0.00 C ATOM 157 SD MET A 20 6.957 8.699 7.454 1.00 0.00 S ATOM 158 CE MET A 20 5.757 7.347 7.486 1.00 0.00 C ATOM 0 H MET A 20 7.301 5.196 6.675 1.00 0.00 H new ATOM 0 HA MET A 20 8.891 6.315 4.387 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.521 6.547 7.404 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.823 7.387 6.585 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.384 8.890 5.536 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.135 7.686 5.287 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.075 7.486 8.325 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.190 7.341 6.555 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.281 6.398 7.598 1.00 0.00 H new ATOM 159 N ASP A 21 9.974 3.772 5.371 1.00 0.00 N ATOM 160 CA ASP A 21 10.577 2.650 4.625 1.00 0.00 C ATOM 161 C ASP A 21 10.128 2.476 3.125 1.00 0.00 C ATOM 162 O ASP A 21 10.669 1.604 2.443 1.00 0.00 O ATOM 163 CB ASP A 21 10.373 1.306 5.370 1.00 0.00 C ATOM 164 CG ASP A 21 11.113 1.132 6.692 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.158 1.715 6.983 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.471 0.241 7.514 1.00 0.00 O ATOM 0 H ASP A 21 9.379 3.458 6.138 1.00 0.00 H new ATOM 0 HA ASP A 21 11.630 2.927 4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.307 1.181 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.675 0.499 4.703 1.00 0.00 H new ATOM 167 N PHE A 22 9.178 3.277 2.631 1.00 0.00 N ATOM 168 CA PHE A 22 8.536 3.116 1.318 1.00 0.00 C ATOM 169 C PHE A 22 8.181 4.507 0.650 1.00 0.00 C ATOM 170 O PHE A 22 8.159 4.546 -0.580 1.00 0.00 O ATOM 171 CB PHE A 22 7.264 2.263 1.502 1.00 0.00 C ATOM 172 CG PHE A 22 7.471 0.793 1.901 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.553 0.408 3.261 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.473 -0.205 0.922 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.464 -0.937 3.618 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.525 -1.545 1.278 1.00 0.00 C ATOM 177 CZ PHE A 22 7.514 -1.903 2.619 1.00 0.00 C ATOM 0 H PHE A 22 8.822 4.081 3.148 1.00 0.00 H new ATOM 0 HA PHE A 22 9.235 2.620 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.643 2.738 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.701 2.286 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.685 1.159 4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.434 0.070 -0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.358 -1.224 4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.574 -2.307 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.545 -2.948 2.891 1.00 0.00 H new ATOM 178 N ASN A 23 7.929 5.617 1.403 1.00 0.00 N ATOM 179 CA ASN A 23 7.690 6.990 0.848 1.00 0.00 C ATOM 180 C ASN A 23 8.711 7.481 -0.221 1.00 0.00 C ATOM 181 O ASN A 23 8.332 8.003 -1.272 1.00 0.00 O ATOM 182 CB ASN A 23 7.697 7.914 2.107 1.00 0.00 C ATOM 183 CG ASN A 23 7.398 9.403 1.942 1.00 0.00 C ATOM 184 OD1 ASN A 23 7.201 9.936 0.853 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.388 10.138 3.039 1.00 0.00 N ATOM 0 H ASN A 23 7.885 5.587 2.422 1.00 0.00 H new ATOM 0 HA ASN A 23 6.755 7.000 0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.972 7.510 2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.679 7.826 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.217 11.142 2.979 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.551 9.702 3.947 1.00 0.00 H new ATOM 186 N ASN A 24 9.982 7.303 0.134 1.00 0.00 N ATOM 187 CA ASN A 24 11.145 7.649 -0.692 1.00 0.00 C ATOM 188 C ASN A 24 11.953 6.324 -0.756 1.00 0.00 C ATOM 189 O ASN A 24 12.834 6.054 0.068 1.00 0.00 O ATOM 190 CB ASN A 24 11.949 8.768 -0.002 1.00 0.00 C ATOM 191 CG ASN A 24 11.417 10.193 -0.165 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.284 10.445 -0.578 1.00 0.00 O ATOM 193 ND2 ASN A 24 12.233 11.171 0.183 1.00 0.00 N ATOM 0 H ASN A 24 10.243 6.901 1.034 1.00 0.00 H new ATOM 0 HA ASN A 24 10.889 8.020 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.001 8.543 1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.970 8.739 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.926 12.141 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.170 10.956 0.524 1.00 0.00 H new ATOM 194 N TYR A 25 11.566 5.482 -1.720 1.00 0.00 N ATOM 195 CA TYR A 25 12.094 4.106 -1.843 1.00 0.00 C ATOM 196 C TYR A 25 11.894 3.734 -3.312 1.00 0.00 C ATOM 197 O TYR A 25 10.788 3.394 -3.747 1.00 0.00 O ATOM 198 CB TYR A 25 11.305 3.188 -0.903 1.00 0.00 C ATOM 199 CG TYR A 25 11.890 1.794 -0.763 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.543 0.743 -1.621 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.765 1.547 0.290 1.00 0.00 C ATOM 202 CE1 TYR A 25 11.987 -0.547 -1.350 1.00 0.00 C ATOM 203 CE2 TYR A 25 13.231 0.264 0.553 1.00 0.00 C ATOM 204 CZ TYR A 25 12.778 -0.799 -0.225 1.00 0.00 C ATOM 205 OH TYR A 25 13.004 -2.082 0.161 1.00 0.00 O ATOM 0 H TYR A 25 10.882 5.727 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 25 13.144 4.014 -1.566 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.256 3.651 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.281 3.106 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.932 0.934 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.088 2.367 0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.720 -1.358 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.937 0.093 1.352 1.00 0.00 H new ATOM 0 HH TYR A 25 13.477 -2.560 -0.552 1.00 0.00 H new ATOM 206 N GLY A 26 12.976 3.865 -4.077 1.00 0.00 N ATOM 207 CA GLY A 26 12.886 3.885 -5.547 1.00 0.00 C ATOM 208 C GLY A 26 12.345 5.281 -5.962 1.00 0.00 C ATOM 209 O GLY A 26 13.008 6.314 -6.058 1.00 0.00 O ATOM 0 H GLY A 26 13.924 3.959 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.864 3.704 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.223 3.096 -5.901 1.00 0.00 H new ATOM 210 N CYS A 27 11.051 5.231 -6.125 1.00 0.00 N ATOM 211 CA CYS A 27 10.139 6.336 -5.823 1.00 0.00 C ATOM 212 C CYS A 27 8.761 5.640 -5.680 1.00 0.00 C ATOM 213 O CYS A 27 8.462 4.644 -6.356 1.00 0.00 O ATOM 214 CB CYS A 27 9.974 7.433 -6.857 1.00 0.00 C ATOM 215 SG CYS A 27 11.405 8.415 -7.192 1.00 0.00 S ATOM 0 H CYS A 27 10.574 4.403 -6.481 1.00 0.00 H new ATOM 0 HA CYS A 27 10.547 6.858 -4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.646 6.976 -7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.174 8.096 -6.528 1.00 0.00 H new ATOM 216 N TYR A 28 7.892 6.224 -4.847 1.00 0.00 N ATOM 217 CA TYR A 28 6.489 5.755 -4.724 1.00 0.00 C ATOM 218 C TYR A 28 6.258 4.246 -4.429 1.00 0.00 C ATOM 219 O TYR A 28 5.425 3.551 -5.023 1.00 0.00 O ATOM 220 CB TYR A 28 5.539 6.269 -5.827 1.00 0.00 C ATOM 221 CG TYR A 28 6.003 6.245 -7.268 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.994 5.072 -8.033 1.00 0.00 C ATOM 223 CD2 TYR A 28 6.671 7.371 -7.761 1.00 0.00 C ATOM 224 CE1 TYR A 28 6.709 5.015 -9.230 1.00 0.00 C ATOM 225 CE2 TYR A 28 7.318 7.337 -8.987 1.00 0.00 C ATOM 226 CZ TYR A 28 7.373 6.155 -9.704 1.00 0.00 C ATOM 227 OH TYR A 28 8.123 6.153 -10.834 1.00 0.00 O ATOM 0 H TYR A 28 8.124 7.017 -4.248 1.00 0.00 H new ATOM 0 HA TYR A 28 6.211 6.248 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.620 5.685 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.279 7.299 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.434 4.212 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.683 8.280 -7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.751 4.093 -9.791 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.778 8.231 -9.381 1.00 0.00 H new ATOM 0 HH TYR A 28 8.486 5.255 -10.984 1.00 0.00 H new ATOM 228 N CYS A 29 7.012 3.819 -3.425 1.00 0.00 N ATOM 229 CA CYS A 29 6.777 2.527 -2.763 1.00 0.00 C ATOM 230 C CYS A 29 5.590 2.479 -1.743 1.00 0.00 C ATOM 231 O CYS A 29 5.321 1.425 -1.160 1.00 0.00 O ATOM 232 CB CYS A 29 8.014 1.753 -2.317 1.00 0.00 C ATOM 233 SG CYS A 29 7.781 0.023 -2.843 1.00 0.00 S ATOM 0 H CYS A 29 7.798 4.346 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 29 6.413 1.943 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.914 2.174 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.137 1.814 -1.236 1.00 0.00 H new ATOM 234 N GLY A 30 4.857 3.581 -1.553 1.00 0.00 N ATOM 235 CA GLY A 30 3.721 3.630 -0.637 1.00 0.00 C ATOM 236 C GLY A 30 3.088 5.015 -0.626 1.00 0.00 C ATOM 237 O GLY A 30 1.931 5.132 -1.042 1.00 0.00 O ATOM 0 H GLY A 30 5.038 4.463 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.978 2.889 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.049 3.368 0.369 1.00 0.00 H new ATOM 238 N LEU A 31 3.802 6.053 -0.133 1.00 0.00 N ATOM 239 CA LEU A 31 3.231 7.415 -0.019 1.00 0.00 C ATOM 240 C LEU A 31 3.615 8.233 -1.212 1.00 0.00 C ATOM 241 O LEU A 31 2.789 8.712 -2.000 1.00 0.00 O ATOM 242 CB LEU A 31 3.356 7.998 1.406 1.00 0.00 C ATOM 243 CG LEU A 31 3.641 9.486 1.649 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.606 10.479 1.129 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.849 9.730 3.165 1.00 0.00 C ATOM 0 H LEU A 31 4.766 5.975 0.190 1.00 0.00 H new ATOM 0 HA LEU A 31 2.143 7.408 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.425 7.767 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.147 7.440 1.907 1.00 0.00 H new ATOM 0 HG LEU A 31 4.537 9.684 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.925 11.494 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.508 10.371 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.644 10.283 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.052 10.787 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.949 9.439 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.693 9.136 3.517 1.00 0.00 H new ATOM 246 N GLY A 32 4.918 8.461 -1.204 1.00 0.00 N ATOM 247 CA GLY A 32 5.407 9.652 -1.883 1.00 0.00 C ATOM 248 C GLY A 32 5.536 9.554 -3.414 1.00 0.00 C ATOM 249 O GLY A 32 6.277 8.688 -3.870 1.00 0.00 O ATOM 0 H GLY A 32 5.625 7.874 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.739 10.480 -1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.384 9.904 -1.472 1.00 0.00 H new ATOM 250 N GLY A 33 4.853 10.408 -4.202 1.00 0.00 N ATOM 251 CA GLY A 33 5.035 10.464 -5.678 1.00 0.00 C ATOM 252 C GLY A 33 4.122 9.591 -6.565 1.00 0.00 C ATOM 253 O GLY A 33 3.151 9.009 -6.072 1.00 0.00 O ATOM 0 H GLY A 33 4.167 11.073 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.907 11.501 -5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.068 10.192 -5.896 1.00 0.00 H new ATOM 254 N SER A 34 4.422 9.528 -7.893 1.00 0.00 N ATOM 255 CA SER A 34 3.633 8.720 -8.868 1.00 0.00 C ATOM 256 C SER A 34 4.356 8.491 -10.235 1.00 0.00 C ATOM 257 O SER A 34 5.048 9.382 -10.738 1.00 0.00 O ATOM 258 CB SER A 34 2.258 9.382 -9.125 1.00 0.00 C ATOM 259 OG SER A 34 2.364 10.661 -9.747 1.00 0.00 O ATOM 0 H SER A 34 5.206 10.028 -8.313 1.00 0.00 H new ATOM 0 HA SER A 34 3.511 7.740 -8.407 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.657 8.726 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.729 9.487 -8.178 1.00 0.00 H new ATOM 0 HG SER A 34 1.468 11.032 -9.887 1.00 0.00 H new ATOM 260 N GLY A 35 4.152 7.292 -10.822 1.00 0.00 N ATOM 261 CA GLY A 35 4.709 6.941 -12.144 1.00 0.00 C ATOM 262 C GLY A 35 4.778 5.416 -12.373 1.00 0.00 C ATOM 263 O GLY A 35 3.757 4.725 -12.330 1.00 0.00 O ATOM 0 H GLY A 35 3.601 6.547 -10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.097 7.394 -12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.709 7.364 -12.237 1.00 0.00 H new ATOM 264 N THR A 36 5.996 4.933 -12.659 1.00 0.00 N ATOM 265 CA THR A 36 6.326 3.502 -12.829 1.00 0.00 C ATOM 266 C THR A 36 7.735 3.263 -12.144 1.00 0.00 C ATOM 267 O THR A 36 8.659 4.061 -12.326 1.00 0.00 O ATOM 268 CB THR A 36 6.276 2.962 -14.284 1.00 0.00 C ATOM 269 OG1 THR A 36 6.017 3.965 -15.271 1.00 0.00 O ATOM 270 CG2 THR A 36 5.192 1.884 -14.393 1.00 0.00 C ATOM 0 H THR A 36 6.805 5.541 -12.783 1.00 0.00 H new ATOM 0 HA THR A 36 5.541 2.920 -12.346 1.00 0.00 H new ATOM 0 HB THR A 36 7.269 2.561 -14.488 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.002 3.553 -16.160 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.157 1.505 -15.414 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.422 1.066 -13.710 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.225 2.313 -14.132 1.00 0.00 H new ATOM 271 N PRO A 37 7.928 2.182 -11.365 1.00 0.00 N ATOM 272 CA PRO A 37 8.893 2.145 -10.220 1.00 0.00 C ATOM 273 C PRO A 37 10.337 1.641 -10.502 1.00 0.00 C ATOM 274 O PRO A 37 10.845 1.806 -11.614 1.00 0.00 O ATOM 275 CB PRO A 37 8.054 1.122 -9.378 1.00 0.00 C ATOM 276 CG PRO A 37 7.728 0.031 -10.417 1.00 0.00 C ATOM 277 CD PRO A 37 7.174 0.923 -11.529 1.00 0.00 C ATOM 0 HA PRO A 37 9.149 3.118 -9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.622 0.725 -8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.152 1.576 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.608 -0.532 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.998 -0.693 -10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.334 0.484 -12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.101 1.080 -11.421 1.00 0.00 H new ATOM 278 N VAL A 38 10.959 1.003 -9.478 1.00 0.00 N ATOM 279 CA VAL A 38 12.280 0.359 -9.563 1.00 0.00 C ATOM 280 C VAL A 38 12.239 -1.206 -9.299 1.00 0.00 C ATOM 281 O VAL A 38 12.646 -2.019 -10.130 1.00 0.00 O ATOM 282 CB VAL A 38 13.352 1.072 -8.653 1.00 0.00 C ATOM 283 CG1 VAL A 38 13.309 2.607 -8.627 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.371 0.715 -7.139 1.00 0.00 C ATOM 0 H VAL A 38 10.540 0.924 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 38 12.595 0.483 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 38 14.224 0.674 -9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.092 2.982 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.467 2.993 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.337 2.938 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.159 1.281 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.408 0.965 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.560 -0.352 -7.019 1.00 0.00 H new ATOM 285 N ASP A 39 11.765 -1.509 -8.094 1.00 0.00 N ATOM 286 CA ASP A 39 11.825 -2.847 -7.433 1.00 0.00 C ATOM 287 C ASP A 39 10.661 -3.754 -7.796 1.00 0.00 C ATOM 288 O ASP A 39 9.606 -3.245 -8.175 1.00 0.00 O ATOM 289 CB ASP A 39 11.975 -2.567 -5.917 1.00 0.00 C ATOM 290 CG ASP A 39 12.490 -3.683 -5.021 1.00 0.00 C ATOM 291 OD1 ASP A 39 12.656 -4.854 -5.359 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.735 -3.218 -3.760 1.00 0.00 O ATOM 0 H ASP A 39 11.305 -0.811 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 39 12.678 -3.424 -7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.644 -1.714 -5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.000 -2.261 -5.538 1.00 0.00 H new ATOM 293 N GLU A 40 10.813 -5.108 -7.625 1.00 0.00 N ATOM 294 CA GLU A 40 9.625 -5.980 -7.488 1.00 0.00 C ATOM 295 C GLU A 40 8.648 -5.437 -6.388 1.00 0.00 C ATOM 296 O GLU A 40 7.440 -5.329 -6.596 1.00 0.00 O ATOM 297 CB GLU A 40 9.784 -7.462 -7.041 1.00 0.00 C ATOM 298 CG GLU A 40 8.601 -8.267 -7.605 1.00 0.00 C ATOM 299 CD GLU A 40 8.866 -8.981 -8.909 1.00 0.00 C ATOM 300 OE1 GLU A 40 9.346 -10.112 -8.977 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.509 -8.223 -9.996 1.00 0.00 O ATOM 0 H GLU A 40 11.711 -5.590 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 40 9.298 -5.960 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.728 -7.869 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.805 -7.530 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.298 -9.004 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.758 -7.591 -7.745 1.00 0.00 H new ATOM 302 N LEU A 41 9.248 -5.131 -5.233 1.00 0.00 N ATOM 303 CA LEU A 41 8.581 -4.482 -4.133 1.00 0.00 C ATOM 304 C LEU A 41 7.823 -3.192 -4.495 1.00 0.00 C ATOM 305 O LEU A 41 6.639 -3.056 -4.183 1.00 0.00 O ATOM 306 CB LEU A 41 9.681 -4.381 -3.072 1.00 0.00 C ATOM 307 CG LEU A 41 9.305 -4.280 -1.602 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.968 -3.097 -0.932 1.00 0.00 C ATOM 309 CD2 LEU A 41 7.845 -4.550 -1.365 1.00 0.00 C ATOM 0 H LEU A 41 10.229 -5.337 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 41 7.727 -5.044 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.323 -5.255 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.287 -3.508 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 41 9.744 -5.104 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.673 -3.061 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.051 -3.199 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.658 -2.177 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.628 -4.466 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.247 -3.825 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.601 -5.556 -1.707 1.00 0.00 H new ATOM 310 N ASP A 42 8.506 -2.321 -5.250 1.00 0.00 N ATOM 311 CA ASP A 42 7.925 -1.128 -5.885 1.00 0.00 C ATOM 312 C ASP A 42 6.908 -1.340 -7.043 1.00 0.00 C ATOM 313 O ASP A 42 6.228 -0.382 -7.408 1.00 0.00 O ATOM 314 CB ASP A 42 9.089 -0.173 -6.187 1.00 0.00 C ATOM 315 CG ASP A 42 8.793 1.323 -6.109 1.00 0.00 C ATOM 316 OD1 ASP A 42 7.668 1.805 -5.988 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.933 2.068 -6.240 1.00 0.00 O ATOM 0 H ASP A 42 9.502 -2.428 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 42 7.231 -0.676 -5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.899 -0.395 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.458 -0.394 -7.188 1.00 0.00 H new ATOM 318 N ARG A 43 6.749 -2.564 -7.562 1.00 0.00 N ATOM 319 CA ARG A 43 5.652 -2.931 -8.484 1.00 0.00 C ATOM 320 C ARG A 43 4.310 -3.152 -7.724 1.00 0.00 C ATOM 321 O ARG A 43 3.302 -2.593 -8.152 1.00 0.00 O ATOM 322 CB ARG A 43 5.877 -4.285 -9.201 1.00 0.00 C ATOM 323 CG ARG A 43 7.182 -4.516 -9.910 1.00 0.00 C ATOM 324 CD ARG A 43 7.715 -3.434 -10.812 1.00 0.00 C ATOM 325 NE ARG A 43 6.657 -2.873 -11.657 1.00 0.00 N ATOM 326 CZ ARG A 43 6.830 -2.386 -12.898 1.00 0.00 C ATOM 327 NH1 ARG A 43 8.006 -2.325 -13.520 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.768 -1.936 -13.537 1.00 0.00 N ATOM 0 H ARG A 43 7.380 -3.338 -7.356 1.00 0.00 H new ATOM 0 HA ARG A 43 5.624 -2.098 -9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.759 -5.076 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.077 -4.410 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.939 -4.718 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.079 -5.423 -10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.160 -2.642 -10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.508 -3.840 -11.440 1.00 0.00 H new ATOM 0 HE ARG A 43 5.713 -2.850 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.848 -2.661 -13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.065 -1.942 -14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.853 -1.965 -13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.862 -1.559 -14.480 1.00 0.00 H new ATOM 329 N CYS A 44 4.308 -3.971 -6.632 1.00 0.00 N ATOM 330 CA CYS A 44 3.136 -4.064 -5.725 1.00 0.00 C ATOM 331 C CYS A 44 2.867 -2.765 -4.886 1.00 0.00 C ATOM 332 O CYS A 44 1.864 -2.709 -4.178 1.00 0.00 O ATOM 333 CB CYS A 44 3.404 -5.280 -4.835 1.00 0.00 C ATOM 334 SG CYS A 44 1.948 -5.815 -3.939 1.00 0.00 S ATOM 0 H CYS A 44 5.093 -4.565 -6.366 1.00 0.00 H new ATOM 0 HA CYS A 44 2.221 -4.174 -6.308 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.769 -6.102 -5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.194 -5.038 -4.124 1.00 0.00 H new ATOM 335 N CYS A 45 3.761 -1.763 -4.998 1.00 0.00 N ATOM 336 CA CYS A 45 3.557 -0.395 -4.571 1.00 0.00 C ATOM 337 C CYS A 45 2.961 0.504 -5.700 1.00 0.00 C ATOM 338 O CYS A 45 2.035 1.241 -5.351 1.00 0.00 O ATOM 339 CB CYS A 45 4.879 0.248 -4.186 1.00 0.00 C ATOM 340 SG CYS A 45 5.834 -0.564 -2.887 1.00 0.00 S ATOM 0 H CYS A 45 4.683 -1.909 -5.410 1.00 0.00 H new ATOM 0 HA CYS A 45 2.865 -0.454 -3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.501 0.305 -5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.679 1.272 -3.870 1.00 0.00 H new ATOM 341 N GLU A 46 3.441 0.520 -6.996 1.00 0.00 N ATOM 342 CA GLU A 46 2.706 1.280 -8.057 1.00 0.00 C ATOM 343 C GLU A 46 1.268 0.729 -8.279 1.00 0.00 C ATOM 344 O GLU A 46 0.386 1.504 -8.622 1.00 0.00 O ATOM 345 CB GLU A 46 3.561 1.420 -9.341 1.00 0.00 C ATOM 346 CG GLU A 46 3.214 0.539 -10.547 1.00 0.00 C ATOM 347 CD GLU A 46 2.154 1.110 -11.485 1.00 0.00 C ATOM 348 OE1 GLU A 46 2.286 2.171 -12.093 1.00 0.00 O ATOM 349 OE2 GLU A 46 1.050 0.301 -11.579 1.00 0.00 O ATOM 0 H GLU A 46 4.285 0.042 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 46 2.549 2.301 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.508 2.460 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.599 1.222 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.124 0.359 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.870 -0.429 -10.183 1.00 0.00 H new ATOM 350 N THR A 47 1.085 -0.593 -8.132 1.00 0.00 N ATOM 351 CA THR A 47 -0.225 -1.263 -8.124 1.00 0.00 C ATOM 352 C THR A 47 -0.866 -1.457 -6.717 1.00 0.00 C ATOM 353 O THR A 47 -2.021 -1.881 -6.665 1.00 0.00 O ATOM 354 CB THR A 47 -0.026 -2.588 -8.896 1.00 0.00 C ATOM 355 OG1 THR A 47 0.339 -2.325 -10.252 1.00 0.00 O ATOM 356 CG2 THR A 47 -1.235 -3.507 -8.926 1.00 0.00 C ATOM 0 H THR A 47 1.863 -1.241 -8.012 1.00 0.00 H new ATOM 0 HA THR A 47 -0.963 -0.624 -8.608 1.00 0.00 H new ATOM 0 HB THR A 47 0.761 -3.101 -8.343 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.461 -1.361 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.994 -4.408 -9.491 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.510 -3.780 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.071 -2.994 -9.402 1.00 0.00 H new ATOM 357 N HIS A 48 -0.214 -1.074 -5.593 1.00 0.00 N ATOM 358 CA HIS A 48 -0.958 -0.688 -4.353 1.00 0.00 C ATOM 359 C HIS A 48 -1.828 0.524 -4.803 1.00 0.00 C ATOM 360 O HIS A 48 -2.979 0.247 -5.066 1.00 0.00 O ATOM 361 CB HIS A 48 -0.180 -0.418 -3.042 1.00 0.00 C ATOM 362 CG HIS A 48 -1.174 -0.131 -1.852 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.096 0.967 -0.981 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.332 -0.879 -1.546 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.205 0.729 -0.225 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.067 -0.253 -0.580 1.00 0.00 N ATOM 0 H HIS A 48 0.801 -1.022 -5.511 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.513 -1.562 -4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.445 -1.278 -2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.487 0.433 -3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.599 -1.816 -2.011 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.396 1.323 0.656 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.000 -0.465 -0.226 1.00 0.00 H new ATOM 367 N ASP A 49 -1.243 1.715 -4.999 1.00 0.00 N ATOM 368 CA ASP A 49 -1.815 2.858 -5.754 1.00 0.00 C ATOM 369 C ASP A 49 -2.763 2.590 -6.966 1.00 0.00 C ATOM 370 O ASP A 49 -3.788 3.269 -7.046 1.00 0.00 O ATOM 371 CB ASP A 49 -0.660 3.740 -6.296 1.00 0.00 C ATOM 372 CG ASP A 49 0.396 4.233 -5.313 1.00 0.00 C ATOM 373 OD1 ASP A 49 0.132 4.684 -4.199 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.665 4.114 -5.819 1.00 0.00 O ATOM 0 H ASP A 49 -0.318 1.925 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.455 3.314 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.150 3.176 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.104 4.614 -6.772 1.00 0.00 H new ATOM 375 N ASN A 50 -2.421 1.657 -7.890 1.00 0.00 N ATOM 376 CA ASN A 50 -3.303 1.295 -9.034 1.00 0.00 C ATOM 377 C ASN A 50 -4.519 0.412 -8.659 1.00 0.00 C ATOM 378 O ASN A 50 -5.563 0.573 -9.299 1.00 0.00 O ATOM 379 CB ASN A 50 -2.654 0.843 -10.363 1.00 0.00 C ATOM 380 CG ASN A 50 -2.067 1.930 -11.270 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.451 2.052 -12.432 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.111 2.713 -10.808 1.00 0.00 N ATOM 0 H ASN A 50 -1.542 1.141 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.668 2.293 -9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.858 0.137 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.404 0.297 -10.935 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.692 3.418 -11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.791 2.613 -9.845 1.00 0.00 H new ATOM 383 N CYS A 51 -4.424 -0.483 -7.661 1.00 0.00 N ATOM 384 CA CYS A 51 -5.635 -0.921 -6.933 1.00 0.00 C ATOM 385 C CYS A 51 -5.956 -0.046 -5.665 1.00 0.00 C ATOM 386 O CYS A 51 -6.732 -0.523 -4.830 1.00 0.00 O ATOM 387 CB CYS A 51 -5.589 -2.427 -6.594 1.00 0.00 C ATOM 388 SG CYS A 51 -4.443 -2.935 -5.291 1.00 0.00 S ATOM 0 H CYS A 51 -3.552 -0.908 -7.344 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.466 -0.762 -7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.592 -2.741 -6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.333 -2.972 -7.503 1.00 0.00 H new ATOM 389 N TYR A 52 -5.410 1.191 -5.478 1.00 0.00 N ATOM 390 CA TYR A 52 -5.690 2.001 -4.237 1.00 0.00 C ATOM 391 C TYR A 52 -6.840 2.970 -4.535 1.00 0.00 C ATOM 392 O TYR A 52 -7.831 3.060 -3.809 1.00 0.00 O ATOM 393 CB TYR A 52 -4.494 2.751 -3.593 1.00 0.00 C ATOM 394 CG TYR A 52 -4.519 3.074 -2.093 1.00 0.00 C ATOM 395 CD1 TYR A 52 -5.535 2.591 -1.269 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.413 3.734 -1.493 1.00 0.00 C ATOM 397 CE1 TYR A 52 -5.410 2.676 0.103 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.334 3.870 -0.101 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.340 3.328 0.690 1.00 0.00 C ATOM 400 OH TYR A 52 -4.246 3.350 2.040 1.00 0.00 O ATOM 0 H TYR A 52 -4.789 1.646 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.951 1.268 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.598 2.160 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.375 3.694 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.420 2.150 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.626 4.134 -2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.163 2.224 0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.502 4.389 0.352 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.333 2.438 2.389 1.00 0.00 H new ATOM 401 N ARG A 53 -6.640 3.689 -5.640 1.00 0.00 N ATOM 402 CA ARG A 53 -7.633 4.467 -6.324 1.00 0.00 C ATOM 403 C ARG A 53 -8.953 3.730 -6.662 1.00 0.00 C ATOM 404 O ARG A 53 -10.029 4.278 -6.453 1.00 0.00 O ATOM 405 CB ARG A 53 -6.778 5.064 -7.484 1.00 0.00 C ATOM 406 CG ARG A 53 -7.234 4.642 -8.853 1.00 0.00 C ATOM 407 CD ARG A 53 -6.542 3.404 -9.344 1.00 0.00 C ATOM 408 NE ARG A 53 -5.420 3.807 -10.212 1.00 0.00 N ATOM 409 CZ ARG A 53 -5.499 3.956 -11.550 1.00 0.00 C ATOM 410 NH1 ARG A 53 -6.587 3.689 -12.268 1.00 0.00 N ATOM 411 NH2 ARG A 53 -4.439 4.410 -12.186 1.00 0.00 N ATOM 0 H ARG A 53 -5.727 3.736 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.109 5.246 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.806 6.152 -7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.739 4.764 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.310 4.467 -8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.055 5.455 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.177 2.815 -8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.240 2.774 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.519 3.986 -9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.431 3.349 -11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.577 3.825 -13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.591 4.637 -11.667 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.466 4.534 -13.198 1.00 0.00 H new ATOM 412 N ASP A 54 -8.803 2.544 -7.265 1.00 0.00 N ATOM 413 CA ASP A 54 -9.775 1.955 -8.209 1.00 0.00 C ATOM 414 C ASP A 54 -11.219 1.693 -7.785 1.00 0.00 C ATOM 415 O ASP A 54 -12.136 1.640 -8.600 1.00 0.00 O ATOM 416 CB ASP A 54 -9.237 0.611 -8.728 1.00 0.00 C ATOM 417 CG ASP A 54 -8.888 -0.508 -7.798 1.00 0.00 C ATOM 418 OD1 ASP A 54 -8.716 -0.347 -6.597 1.00 0.00 O ATOM 419 OD2 ASP A 54 -8.711 -1.699 -8.458 1.00 0.00 O ATOM 0 H ASP A 54 -7.988 1.951 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.853 2.765 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.979 0.222 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.340 0.832 -9.307 1.00 0.00 H new ATOM 420 N ALA A 55 -11.338 1.412 -6.502 1.00 0.00 N ATOM 421 CA ALA A 55 -12.611 1.199 -5.835 1.00 0.00 C ATOM 422 C ALA A 55 -13.499 2.427 -5.593 1.00 0.00 C ATOM 423 O ALA A 55 -14.665 2.288 -5.211 1.00 0.00 O ATOM 424 CB ALA A 55 -12.395 0.424 -4.564 1.00 0.00 C ATOM 0 H ALA A 55 -10.535 1.323 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.196 0.627 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.352 0.266 -4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.945 -0.541 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.732 0.984 -3.905 1.00 0.00 H new ATOM 425 N LYS A 56 -12.975 3.631 -5.828 1.00 0.00 N ATOM 426 CA LYS A 56 -13.797 4.805 -6.103 1.00 0.00 C ATOM 427 C LYS A 56 -14.916 4.627 -7.190 1.00 0.00 C ATOM 428 O LYS A 56 -16.062 5.055 -7.052 1.00 0.00 O ATOM 429 CB LYS A 56 -12.795 5.946 -6.197 1.00 0.00 C ATOM 430 CG LYS A 56 -12.559 6.459 -7.578 1.00 0.00 C ATOM 431 CD LYS A 56 -11.870 5.596 -8.595 1.00 0.00 C ATOM 432 CE LYS A 56 -10.497 6.070 -9.054 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.513 7.314 -9.848 1.00 0.00 N ATOM 0 H LYS A 56 -11.972 3.817 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.509 5.040 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.143 6.769 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.845 5.611 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.529 6.734 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.979 7.378 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.766 4.593 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.515 5.514 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.867 6.221 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.034 5.281 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.541 7.565 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.086 7.172 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.924 8.083 -9.281 1.00 0.00 H new ATOM 434 N ASN A 57 -14.447 3.949 -8.234 1.00 0.00 N ATOM 435 CA ASN A 57 -15.179 3.504 -9.428 1.00 0.00 C ATOM 436 C ASN A 57 -16.009 2.228 -9.196 1.00 0.00 C ATOM 437 O ASN A 57 -17.176 2.224 -9.582 1.00 0.00 O ATOM 438 CB ASN A 57 -14.068 3.381 -10.506 1.00 0.00 C ATOM 439 CG ASN A 57 -14.374 2.709 -11.829 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.444 2.872 -12.415 1.00 0.00 O ATOM 441 ND2 ASN A 57 -13.415 1.967 -12.354 1.00 0.00 N ATOM 0 H ASN A 57 -13.466 3.672 -8.275 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.957 4.202 -9.738 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.716 4.389 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.234 2.844 -10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.555 1.518 -13.259 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.535 1.843 -11.854 1.00 0.00 H new ATOM 442 N LEU A 58 -15.360 1.205 -8.618 1.00 0.00 N ATOM 443 CA LEU A 58 -15.932 -0.135 -8.260 1.00 0.00 C ATOM 444 C LEU A 58 -17.113 -0.760 -9.000 1.00 0.00 C ATOM 445 O LEU A 58 -18.156 -0.164 -9.272 1.00 0.00 O ATOM 446 CB LEU A 58 -15.962 -0.195 -6.736 1.00 0.00 C ATOM 447 CG LEU A 58 -15.918 -1.422 -5.847 1.00 0.00 C ATOM 448 CD1 LEU A 58 -14.945 -2.460 -6.316 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.543 -0.930 -4.428 1.00 0.00 C ATOM 0 H LEU A 58 -14.373 1.277 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.258 -0.863 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.123 0.421 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.873 0.330 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.891 -1.912 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.964 -3.311 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.220 -2.791 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.942 -2.035 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.498 -1.781 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.571 -0.438 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.296 -0.224 -4.077 1.00 0.00 H new ATOM 450 N ASP A 59 -16.921 -2.071 -9.204 1.00 0.00 N ATOM 451 CA ASP A 59 -17.994 -3.028 -9.570 1.00 0.00 C ATOM 452 C ASP A 59 -19.228 -2.993 -8.596 1.00 0.00 C ATOM 453 O ASP A 59 -20.379 -3.156 -9.003 1.00 0.00 O ATOM 454 CB ASP A 59 -17.334 -4.434 -9.326 1.00 0.00 C ATOM 455 CG ASP A 59 -16.437 -4.936 -10.443 1.00 0.00 C ATOM 456 OD1 ASP A 59 -17.152 -5.508 -11.464 1.00 0.00 O ATOM 457 OD2 ASP A 59 -15.211 -4.834 -10.423 1.00 0.00 O ATOM 0 H ASP A 59 -16.004 -2.511 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.347 -2.804 -10.577 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.750 -4.387 -8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.126 -5.165 -9.163 1.00 0.00 H new ATOM 458 N SER A 60 -18.875 -2.830 -7.322 1.00 0.00 N ATOM 459 CA SER A 60 -19.767 -2.853 -6.176 1.00 0.00 C ATOM 460 C SER A 60 -20.111 -1.436 -5.668 1.00 0.00 C ATOM 461 O SER A 60 -21.198 -1.279 -5.105 1.00 0.00 O ATOM 462 CB SER A 60 -18.980 -3.676 -5.133 1.00 0.00 C ATOM 463 OG SER A 60 -19.856 -4.458 -4.336 1.00 0.00 O ATOM 0 H SER A 60 -17.904 -2.670 -7.053 1.00 0.00 H new ATOM 0 HA SER A 60 -20.740 -3.286 -6.409 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.267 -4.326 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.403 -3.006 -4.496 1.00 0.00 H new ATOM 0 HG SER A 60 -19.458 -5.340 -4.182 1.00 0.00 H new ATOM 464 N CYS A 61 -19.206 -0.430 -5.846 1.00 0.00 N ATOM 465 CA CYS A 61 -19.440 0.943 -5.300 1.00 0.00 C ATOM 466 C CYS A 61 -19.259 1.980 -6.428 1.00 0.00 C ATOM 467 O CYS A 61 -18.159 2.487 -6.670 1.00 0.00 O ATOM 468 CB CYS A 61 -18.512 1.122 -4.092 1.00 0.00 C ATOM 469 SG CYS A 61 -19.198 2.089 -2.754 1.00 0.00 S ATOM 0 H CYS A 61 -18.327 -0.538 -6.351 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.459 1.093 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.244 0.137 -3.709 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.590 1.596 -4.428 1.00 0.00 H new ATOM 528 N TYR A 69 -6.289 7.601 -0.573 1.00 0.00 N ATOM 529 CA TYR A 69 -5.915 6.954 0.689 1.00 0.00 C ATOM 530 C TYR A 69 -7.242 7.168 1.530 1.00 0.00 C ATOM 531 O TYR A 69 -7.440 8.314 1.954 1.00 0.00 O ATOM 532 CB TYR A 69 -4.803 7.719 1.480 1.00 0.00 C ATOM 533 CG TYR A 69 -3.342 7.879 0.973 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.793 7.245 -0.160 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.499 8.773 1.662 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.550 7.620 -0.680 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.255 9.153 1.143 1.00 0.00 C ATOM 538 CZ TYR A 69 -0.806 8.606 -0.050 1.00 0.00 C ATOM 539 OH TYR A 69 0.352 9.042 -0.612 1.00 0.00 O ATOM 0 HA TYR A 69 -5.552 5.940 0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.183 8.728 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.738 7.240 2.457 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.346 6.450 -0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.819 9.174 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.170 7.142 -1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.646 9.871 1.671 1.00 0.00 H new ATOM 0 HH TYR A 69 0.645 8.403 -1.295 1.00 0.00 H new ATOM 540 N THR A 70 -8.156 6.179 1.741 1.00 0.00 N ATOM 541 CA THR A 70 -9.266 6.389 2.704 1.00 0.00 C ATOM 542 C THR A 70 -10.141 5.162 3.093 1.00 0.00 C ATOM 543 O THR A 70 -10.201 4.894 4.292 1.00 0.00 O ATOM 544 CB THR A 70 -10.210 7.645 2.533 1.00 0.00 C ATOM 545 OG1 THR A 70 -10.134 8.253 1.241 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.911 8.677 3.633 1.00 0.00 C ATOM 0 H THR A 70 -8.148 5.270 1.279 1.00 0.00 H new ATOM 0 HA THR A 70 -8.593 6.610 3.533 1.00 0.00 H new ATOM 0 HB THR A 70 -11.232 7.280 2.630 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.233 8.611 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.565 9.540 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.084 8.227 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.871 8.996 3.560 1.00 0.00 H new ATOM 547 N GLU A 71 -10.886 4.477 2.188 1.00 0.00 N ATOM 548 CA GLU A 71 -11.938 3.516 2.647 1.00 0.00 C ATOM 549 C GLU A 71 -11.425 2.131 3.094 1.00 0.00 C ATOM 550 O GLU A 71 -11.222 1.294 2.216 1.00 0.00 O ATOM 551 CB GLU A 71 -13.084 3.276 1.598 1.00 0.00 C ATOM 552 CG GLU A 71 -14.093 4.425 1.530 1.00 0.00 C ATOM 553 CD GLU A 71 -15.256 4.119 0.586 1.00 0.00 C ATOM 554 OE1 GLU A 71 -15.121 3.915 -0.620 1.00 0.00 O ATOM 555 OE2 GLU A 71 -16.461 4.089 1.240 1.00 0.00 O ATOM 0 H GLU A 71 -10.790 4.561 1.176 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.329 4.037 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.641 3.132 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.610 2.355 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.481 4.625 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.587 5.331 1.198 1.00 0.00 H new ATOM 556 N SER A 72 -11.205 1.908 4.419 1.00 0.00 N ATOM 557 CA SER A 72 -11.028 0.540 5.008 1.00 0.00 C ATOM 558 C SER A 72 -10.738 0.488 6.541 1.00 0.00 C ATOM 559 O SER A 72 -10.375 1.485 7.166 1.00 0.00 O ATOM 560 CB SER A 72 -10.187 -0.439 4.120 1.00 0.00 C ATOM 561 OG SER A 72 -9.678 -1.586 4.785 1.00 0.00 O ATOM 0 H SER A 72 -11.145 2.659 5.107 1.00 0.00 H new ATOM 0 HA SER A 72 -12.032 0.118 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.807 -0.769 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.350 0.114 3.694 1.00 0.00 H new ATOM 0 HG SER A 72 -8.876 -1.341 5.293 1.00 0.00 H new ATOM 562 N TYR A 73 -10.920 -0.741 7.088 1.00 0.00 N ATOM 563 CA TYR A 73 -10.191 -1.321 8.220 1.00 0.00 C ATOM 564 C TYR A 73 -11.063 -1.747 9.423 1.00 0.00 C ATOM 565 O TYR A 73 -11.889 -0.997 9.949 1.00 0.00 O ATOM 566 CB TYR A 73 -8.954 -0.586 8.779 1.00 0.00 C ATOM 567 CG TYR A 73 -7.657 -0.864 8.043 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.466 -0.582 6.685 1.00 0.00 C ATOM 569 CD2 TYR A 73 -6.738 -1.678 8.697 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.466 -1.235 5.988 1.00 0.00 C ATOM 571 CE2 TYR A 73 -5.689 -2.263 8.010 1.00 0.00 C ATOM 572 CZ TYR A 73 -5.544 -2.030 6.644 1.00 0.00 C ATOM 573 OH TYR A 73 -4.712 -2.761 5.850 1.00 0.00 O ATOM 0 H TYR A 73 -11.623 -1.383 6.721 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.812 -2.190 7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.146 0.487 8.755 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.827 -0.863 9.825 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.095 0.140 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.845 -1.856 9.757 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.404 -1.122 4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.986 -2.897 8.530 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.063 -3.671 5.759 1.00 0.00 H new ATOM 574 N SER A 74 -10.699 -2.967 9.854 1.00 0.00 N ATOM 575 CA SER A 74 -11.189 -3.710 11.029 1.00 0.00 C ATOM 576 C SER A 74 -10.329 -5.032 11.161 1.00 0.00 C ATOM 577 O SER A 74 -10.874 -6.137 11.221 1.00 0.00 O ATOM 578 CB SER A 74 -12.674 -3.938 10.708 1.00 0.00 C ATOM 579 OG SER A 74 -13.375 -4.680 11.684 1.00 0.00 O ATOM 0 H SER A 74 -9.995 -3.504 9.347 1.00 0.00 H new ATOM 0 HA SER A 74 -11.094 -3.209 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.160 -2.970 10.587 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.751 -4.455 9.751 1.00 0.00 H new ATOM 0 HG SER A 74 -12.879 -5.499 11.891 1.00 0.00 H new ATOM 580 N TYR A 75 -8.983 -4.882 11.214 1.00 0.00 N ATOM 581 CA TYR A 75 -8.024 -5.992 10.988 1.00 0.00 C ATOM 582 C TYR A 75 -7.525 -6.840 12.181 1.00 0.00 C ATOM 583 O TYR A 75 -8.161 -6.975 13.228 1.00 0.00 O ATOM 584 CB TYR A 75 -6.899 -5.247 10.179 1.00 0.00 C ATOM 585 CG TYR A 75 -7.112 -5.268 8.680 1.00 0.00 C ATOM 586 CD1 TYR A 75 -8.200 -4.612 8.121 1.00 0.00 C ATOM 587 CD2 TYR A 75 -6.095 -5.697 7.842 1.00 0.00 C ATOM 588 CE1 TYR A 75 -8.215 -4.271 6.781 1.00 0.00 C ATOM 589 CE2 TYR A 75 -6.112 -5.378 6.495 1.00 0.00 C ATOM 590 CZ TYR A 75 -7.164 -4.639 5.962 1.00 0.00 C ATOM 591 OH TYR A 75 -7.082 -4.123 4.720 1.00 0.00 O ATOM 0 H TYR A 75 -8.532 -3.989 11.414 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.509 -6.826 10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.847 -4.211 10.515 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.936 -5.705 10.407 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.048 -4.364 8.742 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.283 -6.285 8.243 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.048 -3.717 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.305 -5.704 5.855 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.184 -4.840 4.060 1.00 0.00 H new ATOM 592 N SER A 76 -6.395 -7.486 11.877 1.00 0.00 N ATOM 593 CA SER A 76 -5.798 -8.628 12.567 1.00 0.00 C ATOM 594 C SER A 76 -4.271 -8.407 12.789 1.00 0.00 C ATOM 595 O SER A 76 -3.741 -7.306 12.602 1.00 0.00 O ATOM 596 CB SER A 76 -5.954 -9.703 11.418 1.00 0.00 C ATOM 597 OG SER A 76 -5.761 -11.034 11.871 1.00 0.00 O ATOM 0 H SER A 76 -5.831 -7.199 11.077 1.00 0.00 H new ATOM 0 HA SER A 76 -6.234 -8.852 13.541 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.948 -9.615 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.236 -9.487 10.627 1.00 0.00 H new ATOM 0 HG SER A 76 -5.871 -11.654 11.120 1.00 0.00 H new ATOM 598 N CYS A 77 -3.617 -9.450 13.324 1.00 0.00 N ATOM 599 CA CYS A 77 -2.197 -9.807 13.055 1.00 0.00 C ATOM 600 C CYS A 77 -1.752 -10.887 14.049 1.00 0.00 C ATOM 601 O CYS A 77 -2.054 -10.836 15.247 1.00 0.00 O ATOM 602 CB CYS A 77 -1.238 -8.738 12.608 1.00 0.00 C ATOM 603 SG CYS A 77 0.482 -9.213 12.539 1.00 0.00 S ATOM 0 H CYS A 77 -4.066 -10.093 13.976 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.148 -10.265 12.067 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.541 -8.396 11.618 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.333 -7.887 13.282 1.00 0.00 H new ATOM 604 N SER A 78 -1.012 -11.857 13.511 1.00 0.00 N ATOM 605 CA SER A 78 -0.542 -13.040 14.267 1.00 0.00 C ATOM 606 C SER A 78 0.944 -12.822 14.592 1.00 0.00 C ATOM 607 O SER A 78 1.319 -11.920 15.349 1.00 0.00 O ATOM 608 CB SER A 78 -1.036 -14.293 13.500 1.00 0.00 C ATOM 609 OG SER A 78 -0.735 -15.488 14.214 1.00 0.00 O ATOM 0 H SER A 78 -0.715 -11.853 12.535 1.00 0.00 H new ATOM 0 HA SER A 78 -0.956 -13.206 15.261 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.112 -14.224 13.340 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.569 -14.327 12.516 1.00 0.00 H new ATOM 0 HG SER A 78 -1.059 -16.262 13.708 1.00 0.00 H new ATOM 610 N ASN A 79 1.745 -13.664 13.971 1.00 0.00 N ATOM 611 CA ASN A 79 3.217 -13.559 13.899 1.00 0.00 C ATOM 612 C ASN A 79 3.705 -12.205 13.262 1.00 0.00 C ATOM 613 O ASN A 79 4.496 -11.484 13.870 1.00 0.00 O ATOM 614 CB ASN A 79 3.738 -14.764 13.054 1.00 0.00 C ATOM 615 CG ASN A 79 3.820 -16.111 13.776 1.00 0.00 C ATOM 616 OD1 ASN A 79 3.735 -16.223 14.999 1.00 0.00 O ATOM 617 ND2 ASN A 79 4.006 -17.179 13.020 1.00 0.00 N ATOM 0 H ASN A 79 1.388 -14.481 13.476 1.00 0.00 H new ATOM 0 HA ASN A 79 3.616 -13.579 14.913 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.089 -14.880 12.186 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.731 -14.515 12.679 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.080 -18.101 13.449 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.076 -17.081 12.007 1.00 0.00 H new ATOM 618 N THR A 80 3.194 -11.942 12.051 1.00 0.00 N ATOM 619 CA THR A 80 3.496 -10.752 11.199 1.00 0.00 C ATOM 620 C THR A 80 2.589 -10.774 9.894 1.00 0.00 C ATOM 621 O THR A 80 3.051 -10.457 8.794 1.00 0.00 O ATOM 622 CB THR A 80 5.030 -10.631 10.912 1.00 0.00 C ATOM 623 OG1 THR A 80 5.331 -9.530 10.070 1.00 0.00 O ATOM 624 CG2 THR A 80 5.702 -11.842 10.283 1.00 0.00 C ATOM 0 H THR A 80 2.527 -12.573 11.606 1.00 0.00 H new ATOM 0 HA THR A 80 3.238 -9.841 11.739 1.00 0.00 H new ATOM 0 HB THR A 80 5.429 -10.512 11.919 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.239 -8.696 10.576 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.762 -11.634 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.590 -12.703 10.942 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.236 -12.058 9.321 1.00 0.00 H new ATOM 625 N GLU A 81 1.299 -11.147 10.049 1.00 0.00 N ATOM 626 CA GLU A 81 0.421 -11.597 8.950 1.00 0.00 C ATOM 627 C GLU A 81 -1.033 -11.217 9.249 1.00 0.00 C ATOM 628 O GLU A 81 -1.592 -11.596 10.281 1.00 0.00 O ATOM 629 CB GLU A 81 0.485 -13.162 8.893 1.00 0.00 C ATOM 630 CG GLU A 81 1.793 -13.564 8.219 1.00 0.00 C ATOM 631 CD GLU A 81 1.925 -15.030 7.892 1.00 0.00 C ATOM 632 OE1 GLU A 81 2.403 -15.857 8.668 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.454 -15.326 6.638 1.00 0.00 O ATOM 0 H GLU A 81 0.833 -11.143 10.956 1.00 0.00 H new ATOM 0 HA GLU A 81 0.745 -11.136 8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.431 -13.581 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.365 -13.557 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.898 -12.992 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.620 -13.277 8.868 1.00 0.00 H new ATOM 634 N ILE A 82 -1.632 -10.520 8.284 1.00 0.00 N ATOM 635 CA ILE A 82 -2.925 -9.817 8.489 1.00 0.00 C ATOM 636 C ILE A 82 -4.111 -10.493 7.713 1.00 0.00 C ATOM 637 O ILE A 82 -3.939 -11.537 7.075 1.00 0.00 O ATOM 638 CB ILE A 82 -2.806 -8.264 8.272 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.435 -7.608 8.002 1.00 0.00 C ATOM 640 CG2 ILE A 82 -3.504 -7.518 9.419 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.463 -7.562 9.170 1.00 0.00 C ATOM 0 H ILE A 82 -1.250 -10.419 7.343 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.185 -9.932 9.541 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.295 -8.159 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.957 -8.143 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.607 -6.587 7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.417 -6.443 9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.558 -7.796 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.034 -7.784 10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.462 -7.079 8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.906 -6.998 9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.246 -8.577 9.503 1.00 0.00 H new ATOM 642 N THR A 83 -5.322 -9.899 7.835 1.00 0.00 N ATOM 643 CA THR A 83 -6.568 -10.422 7.228 1.00 0.00 C ATOM 644 C THR A 83 -7.314 -9.377 6.352 1.00 0.00 C ATOM 645 O THR A 83 -7.248 -9.531 5.132 1.00 0.00 O ATOM 646 CB THR A 83 -7.412 -11.304 8.204 1.00 0.00 C ATOM 647 OG1 THR A 83 -7.897 -12.441 7.487 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.627 -10.686 8.891 1.00 0.00 C ATOM 0 H THR A 83 -5.462 -9.037 8.362 1.00 0.00 H new ATOM 0 HA THR A 83 -6.282 -11.158 6.477 1.00 0.00 H new ATOM 0 HB THR A 83 -6.705 -11.510 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.427 -13.005 8.088 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.100 -11.430 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.310 -9.835 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.340 -10.351 8.137 1.00 0.00 H new ATOM 649 N CYS A 84 -8.198 -8.556 6.947 1.00 0.00 N ATOM 650 CA CYS A 84 -9.100 -7.601 6.314 1.00 0.00 C ATOM 651 C CYS A 84 -10.238 -7.330 7.342 1.00 0.00 C ATOM 652 O CYS A 84 -10.361 -7.923 8.424 1.00 0.00 O ATOM 653 CB CYS A 84 -9.121 -7.339 4.816 1.00 0.00 C ATOM 654 SG CYS A 84 -10.589 -6.599 4.178 1.00 0.00 S ATOM 0 H CYS A 84 -8.301 -8.549 7.962 1.00 0.00 H new ATOM 0 HA CYS A 84 -8.709 -6.642 5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.277 -6.695 4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.962 -8.286 4.300 1.00 0.00 H new ATOM 655 N ASN A 85 -11.110 -6.436 6.936 1.00 0.00 N ATOM 656 CA ASN A 85 -12.341 -6.070 7.664 1.00 0.00 C ATOM 657 C ASN A 85 -13.393 -7.215 7.798 1.00 0.00 C ATOM 658 O ASN A 85 -13.140 -8.354 7.386 1.00 0.00 O ATOM 659 CB ASN A 85 -12.872 -4.804 6.906 1.00 0.00 C ATOM 660 CG ASN A 85 -13.597 -4.992 5.553 1.00 0.00 C ATOM 661 OD1 ASN A 85 -13.462 -6.135 4.886 1.00 0.00 O flip ATOM 662 ND2 ASN A 85 -14.296 -4.087 5.099 1.00 0.00 N flip ATOM 0 H ASN A 85 -10.995 -5.918 6.065 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.130 -5.865 8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.555 -4.281 7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.023 -4.142 6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.396 -3.213 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.775 -4.211 4.207 1.00 0.00 H new ATOM 663 N SER A 86 -14.574 -6.911 8.362 1.00 0.00 N ATOM 664 CA SER A 86 -15.692 -7.894 8.409 1.00 0.00 C ATOM 665 C SER A 86 -17.056 -7.178 8.296 1.00 0.00 C ATOM 666 O SER A 86 -17.858 -7.218 9.237 1.00 0.00 O ATOM 667 CB SER A 86 -15.560 -8.813 9.652 1.00 0.00 C ATOM 668 OG SER A 86 -15.591 -8.093 10.882 1.00 0.00 O ATOM 0 H SER A 86 -14.787 -6.009 8.788 1.00 0.00 H new ATOM 0 HA SER A 86 -15.633 -8.554 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.369 -9.544 9.644 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.626 -9.371 9.587 1.00 0.00 H new ATOM 0 HG SER A 86 -16.356 -7.481 10.883 1.00 0.00 H new ATOM 669 N LYS A 87 -17.331 -6.534 7.130 1.00 0.00 N ATOM 670 CA LYS A 87 -18.573 -5.737 6.967 1.00 0.00 C ATOM 671 C LYS A 87 -19.135 -5.493 5.538 1.00 0.00 C ATOM 672 O LYS A 87 -20.353 -5.621 5.373 1.00 0.00 O ATOM 673 CB LYS A 87 -18.524 -4.404 7.773 1.00 0.00 C ATOM 674 CG LYS A 87 -17.384 -3.439 7.441 1.00 0.00 C ATOM 675 CD LYS A 87 -16.314 -3.255 8.527 1.00 0.00 C ATOM 676 CE LYS A 87 -16.837 -2.562 9.794 1.00 0.00 C ATOM 677 NZ LYS A 87 -15.754 -2.210 10.725 1.00 0.00 N ATOM 0 H LYS A 87 -16.725 -6.550 6.309 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.306 -6.425 7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.468 -3.880 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.463 -4.650 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.893 -3.788 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.815 -2.464 7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.911 -4.231 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.489 -2.671 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.380 -1.659 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.547 -3.218 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.149 -1.700 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.283 -3.077 11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.062 -1.604 10.240 1.00 0.00 H new ATOM 678 N ASN A 88 -18.317 -5.100 4.542 1.00 0.00 N ATOM 679 CA ASN A 88 -18.842 -4.384 3.351 1.00 0.00 C ATOM 680 C ASN A 88 -19.112 -5.134 2.033 1.00 0.00 C ATOM 681 O ASN A 88 -18.331 -5.964 1.563 1.00 0.00 O ATOM 682 CB ASN A 88 -17.920 -3.139 3.086 1.00 0.00 C ATOM 683 CG ASN A 88 -18.512 -1.848 3.682 1.00 0.00 C ATOM 684 OD1 ASN A 88 -18.414 -1.598 4.881 1.00 0.00 O ATOM 685 ND2 ASN A 88 -19.151 -1.020 2.877 1.00 0.00 N ATOM 0 H ASN A 88 -17.310 -5.259 4.532 1.00 0.00 H new ATOM 0 HA ASN A 88 -19.864 -4.148 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.935 -3.319 3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -17.781 -3.012 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.567 -0.166 3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -19.229 -1.234 1.883 1.00 0.00 H new ATOM 686 N ASN A 89 -20.215 -4.645 1.402 1.00 0.00 N ATOM 687 CA ASN A 89 -20.390 -4.661 -0.075 1.00 0.00 C ATOM 688 C ASN A 89 -19.378 -3.558 -0.560 1.00 0.00 C ATOM 689 O ASN A 89 -19.284 -2.459 -0.003 1.00 0.00 O ATOM 690 CB ASN A 89 -21.801 -4.305 -0.570 1.00 0.00 C ATOM 691 CG ASN A 89 -22.907 -5.267 -0.139 1.00 0.00 C ATOM 692 OD1 ASN A 89 -23.012 -6.384 -0.645 1.00 0.00 O ATOM 693 ND2 ASN A 89 -23.753 -4.865 0.795 1.00 0.00 N ATOM 0 H ASN A 89 -21.003 -4.231 1.901 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.223 -5.666 -0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -22.052 -3.306 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.785 -4.260 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -24.503 -5.483 1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -23.655 -3.937 1.206 1.00 0.00 H new ATOM 694 N ALA A 90 -18.612 -3.933 -1.566 1.00 0.00 N ATOM 695 CA ALA A 90 -17.158 -3.689 -1.586 1.00 0.00 C ATOM 696 C ALA A 90 -16.460 -2.327 -1.398 1.00 0.00 C ATOM 697 O ALA A 90 -15.250 -2.344 -1.206 1.00 0.00 O ATOM 698 CB ALA A 90 -16.618 -4.374 -2.855 1.00 0.00 C ATOM 0 H ALA A 90 -18.964 -4.413 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.897 -4.079 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.540 -4.223 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.833 -5.442 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.098 -3.942 -3.734 1.00 0.00 H new ATOM 699 N CYS A 91 -17.150 -1.192 -1.472 1.00 0.00 N ATOM 700 CA CYS A 91 -16.645 0.170 -1.079 1.00 0.00 C ATOM 701 C CYS A 91 -15.305 0.295 -0.260 1.00 0.00 C ATOM 702 O CYS A 91 -14.319 0.786 -0.810 1.00 0.00 O ATOM 703 CB CYS A 91 -17.811 0.731 -0.239 1.00 0.00 C ATOM 704 SG CYS A 91 -19.360 0.851 -1.170 1.00 0.00 S ATOM 0 H CYS A 91 -18.110 -1.167 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.371 0.696 -1.993 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -17.965 0.093 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.540 1.719 0.134 1.00 0.00 H new ATOM 705 N GLU A 92 -15.294 -0.186 1.006 1.00 0.00 N ATOM 706 CA GLU A 92 -14.071 -0.393 1.794 1.00 0.00 C ATOM 707 C GLU A 92 -13.494 -1.802 1.573 1.00 0.00 C ATOM 708 O GLU A 92 -12.299 -1.841 1.317 1.00 0.00 O ATOM 709 CB GLU A 92 -14.132 -0.187 3.334 1.00 0.00 C ATOM 710 CG GLU A 92 -15.322 -0.781 4.065 1.00 0.00 C ATOM 711 CD GLU A 92 -15.279 -0.521 5.565 1.00 0.00 C ATOM 712 OE1 GLU A 92 -14.449 -1.033 6.317 1.00 0.00 O ATOM 713 OE2 GLU A 92 -16.265 0.341 5.973 1.00 0.00 O ATOM 0 H GLU A 92 -16.145 -0.441 1.507 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.449 0.413 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.225 -0.607 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.113 0.885 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.241 -0.363 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.353 -1.856 3.887 1.00 0.00 H new ATOM 714 N ALA A 93 -14.260 -2.908 1.715 1.00 0.00 N ATOM 715 CA ALA A 93 -13.685 -4.264 1.637 1.00 0.00 C ATOM 716 C ALA A 93 -12.868 -4.655 0.394 1.00 0.00 C ATOM 717 O ALA A 93 -12.079 -5.602 0.486 1.00 0.00 O ATOM 718 CB ALA A 93 -14.739 -5.343 1.826 1.00 0.00 C ATOM 0 H ALA A 93 -15.266 -2.886 1.882 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.968 -4.206 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.270 -6.325 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.206 -5.228 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.498 -5.251 1.049 1.00 0.00 H new ATOM 719 N PHE A 94 -13.041 -3.954 -0.740 1.00 0.00 N ATOM 720 CA PHE A 94 -12.096 -4.134 -1.865 1.00 0.00 C ATOM 721 C PHE A 94 -10.811 -3.299 -1.598 1.00 0.00 C ATOM 722 O PHE A 94 -9.735 -3.860 -1.825 1.00 0.00 O ATOM 723 CB PHE A 94 -12.877 -3.980 -3.179 1.00 0.00 C ATOM 724 CG PHE A 94 -12.109 -3.773 -4.477 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.286 -2.676 -4.491 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.490 -4.330 -5.715 1.00 0.00 C ATOM 727 CE1 PHE A 94 -10.848 -2.110 -5.659 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.052 -3.742 -6.931 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.260 -2.595 -6.883 1.00 0.00 C ATOM 0 H PHE A 94 -13.792 -3.284 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.673 -5.134 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.494 -4.870 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.556 -3.135 -3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -10.973 -2.245 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.118 -5.208 -5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.169 -1.271 -5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.328 -4.177 -7.880 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.972 -2.092 -7.794 1.00 0.00 H new ATOM 730 N ILE A 95 -10.875 -1.983 -1.197 1.00 0.00 N ATOM 731 CA ILE A 95 -9.611 -1.219 -0.850 1.00 0.00 C ATOM 732 C ILE A 95 -8.847 -1.892 0.348 1.00 0.00 C ATOM 733 O ILE A 95 -7.621 -1.845 0.384 1.00 0.00 O ATOM 734 CB ILE A 95 -9.893 0.307 -0.613 1.00 0.00 C ATOM 735 CG1 ILE A 95 -9.946 1.094 -1.960 1.00 0.00 C ATOM 736 CG2 ILE A 95 -8.878 1.061 0.284 1.00 0.00 C ATOM 737 CD1 ILE A 95 -11.238 1.875 -2.142 1.00 0.00 C ATOM 0 H ILE A 95 -11.739 -1.448 -1.107 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.947 -1.270 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.850 0.285 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.102 1.783 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.831 0.394 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.178 2.105 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.856 0.603 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -7.886 1.006 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.214 2.401 -3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.084 1.188 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.343 2.597 -1.333 1.00 0.00 H new ATOM 738 N CYS A 96 -9.594 -2.491 1.286 1.00 0.00 N ATOM 739 CA CYS A 96 -9.101 -3.371 2.360 1.00 0.00 C ATOM 740 C CYS A 96 -8.229 -4.510 1.826 1.00 0.00 C ATOM 741 O CYS A 96 -7.064 -4.580 2.218 1.00 0.00 O ATOM 742 CB CYS A 96 -10.415 -3.843 2.987 1.00 0.00 C ATOM 743 SG CYS A 96 -10.368 -4.663 4.535 1.00 0.00 S ATOM 0 H CYS A 96 -10.606 -2.371 1.320 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.435 -2.885 3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.060 -2.971 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.899 -4.511 2.275 1.00 0.00 H new ATOM 744 N ASN A 97 -8.698 -5.324 0.855 1.00 0.00 N ATOM 745 CA ASN A 97 -7.775 -6.330 0.225 1.00 0.00 C ATOM 746 C ASN A 97 -6.547 -5.732 -0.517 1.00 0.00 C ATOM 747 O ASN A 97 -5.499 -6.373 -0.493 1.00 0.00 O ATOM 748 CB ASN A 97 -8.603 -7.222 -0.703 1.00 0.00 C ATOM 749 CG ASN A 97 -8.013 -8.585 -1.065 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.014 -9.053 -0.516 1.00 0.00 O ATOM 751 ND2 ASN A 97 -8.640 -9.269 -2.005 1.00 0.00 N ATOM 0 H ASN A 97 -9.653 -5.320 0.497 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.329 -6.905 1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.574 -7.387 -0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.782 -6.674 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.298 -10.190 -2.280 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.466 -8.877 -2.456 1.00 0.00 H new ATOM 752 N CYS A 98 -6.658 -4.530 -1.112 1.00 0.00 N ATOM 753 CA CYS A 98 -5.485 -3.802 -1.657 1.00 0.00 C ATOM 754 C CYS A 98 -4.446 -3.425 -0.553 1.00 0.00 C ATOM 755 O CYS A 98 -3.288 -3.794 -0.734 1.00 0.00 O ATOM 756 CB CYS A 98 -5.964 -2.618 -2.508 1.00 0.00 C ATOM 757 SG CYS A 98 -4.653 -1.942 -3.546 1.00 0.00 S ATOM 0 H CYS A 98 -7.544 -4.039 -1.230 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.929 -4.467 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.793 -2.939 -3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.346 -1.835 -1.853 1.00 0.00 H new ATOM 758 N ASP A 99 -4.830 -2.779 0.579 1.00 0.00 N ATOM 759 CA ASP A 99 -3.897 -2.463 1.710 1.00 0.00 C ATOM 760 C ASP A 99 -3.214 -3.667 2.418 1.00 0.00 C ATOM 761 O ASP A 99 -2.104 -3.521 2.918 1.00 0.00 O ATOM 762 CB ASP A 99 -4.616 -1.657 2.818 1.00 0.00 C ATOM 763 CG ASP A 99 -4.948 -0.219 2.490 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.111 0.677 2.539 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.268 -0.040 2.177 1.00 0.00 O ATOM 0 H ASP A 99 -5.786 -2.462 0.740 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.112 -1.900 1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.542 -2.173 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.991 -1.669 3.711 1.00 0.00 H new ATOM 766 N ARG A 100 -3.920 -4.781 2.479 1.00 0.00 N ATOM 767 CA ARG A 100 -3.476 -6.037 3.075 1.00 0.00 C ATOM 768 C ARG A 100 -2.648 -6.937 2.160 1.00 0.00 C ATOM 769 O ARG A 100 -1.659 -7.457 2.664 1.00 0.00 O ATOM 770 CB ARG A 100 -4.813 -6.686 3.423 1.00 0.00 C ATOM 771 CG ARG A 100 -4.748 -7.732 4.516 1.00 0.00 C ATOM 772 CD ARG A 100 -4.191 -9.108 4.195 1.00 0.00 C ATOM 773 NE ARG A 100 -4.759 -9.658 2.957 1.00 0.00 N ATOM 774 CZ ARG A 100 -4.428 -10.848 2.429 1.00 0.00 C ATOM 775 NH1 ARG A 100 -3.560 -11.693 2.980 1.00 0.00 N ATOM 776 NH2 ARG A 100 -5.001 -11.200 1.295 1.00 0.00 N ATOM 0 H ARG A 100 -4.864 -4.842 2.097 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.793 -5.872 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.511 -5.906 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.222 -7.146 2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.152 -7.319 5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.759 -7.869 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.107 -9.047 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.401 -9.786 5.022 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.453 -9.097 2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.100 -11.452 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.354 -12.582 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.672 -10.576 0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -4.773 -12.097 0.865 1.00 0.00 H new ATOM 777 N ASN A 101 -2.989 -7.177 0.869 1.00 0.00 N ATOM 778 CA ASN A 101 -2.002 -7.806 -0.055 1.00 0.00 C ATOM 779 C ASN A 101 -0.779 -6.865 -0.383 1.00 0.00 C ATOM 780 O ASN A 101 0.259 -7.352 -0.829 1.00 0.00 O ATOM 781 CB ASN A 101 -2.685 -8.405 -1.293 1.00 0.00 C ATOM 782 CG ASN A 101 -3.330 -7.481 -2.329 1.00 0.00 C ATOM 783 OD1 ASN A 101 -2.967 -6.317 -2.502 1.00 0.00 O ATOM 784 ND2 ASN A 101 -4.305 -7.986 -3.065 1.00 0.00 N ATOM 0 H ASN A 101 -3.895 -6.958 0.455 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.557 -8.649 0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.942 -9.009 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.458 -9.087 -0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.757 -7.412 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.605 -8.950 -2.921 1.00 0.00 H new ATOM 785 N ALA A 102 -0.923 -5.549 -0.125 1.00 0.00 N ATOM 786 CA ALA A 102 0.195 -4.632 0.092 1.00 0.00 C ATOM 787 C ALA A 102 0.834 -4.806 1.498 1.00 0.00 C ATOM 788 O ALA A 102 2.046 -4.706 1.519 1.00 0.00 O ATOM 789 CB ALA A 102 -0.278 -3.203 -0.147 1.00 0.00 C ATOM 0 H ALA A 102 -1.835 -5.096 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 102 0.985 -4.868 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.551 -2.514 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.638 -3.105 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.086 -2.966 0.546 1.00 0.00 H new ATOM 790 N ALA A 103 0.141 -5.108 2.635 1.00 0.00 N ATOM 791 CA ALA A 103 0.845 -5.491 3.921 1.00 0.00 C ATOM 792 C ALA A 103 1.783 -6.749 3.845 1.00 0.00 C ATOM 793 O ALA A 103 2.753 -6.859 4.582 1.00 0.00 O ATOM 794 CB ALA A 103 -0.160 -5.707 5.064 1.00 0.00 C ATOM 0 H ALA A 103 -0.877 -5.098 2.700 1.00 0.00 H new ATOM 0 HA ALA A 103 1.493 -4.635 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.376 -5.981 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.719 -4.787 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.850 -6.507 4.795 1.00 0.00 H new ATOM 795 N ILE A 104 1.417 -7.625 2.925 1.00 0.00 N ATOM 796 CA ILE A 104 2.102 -8.845 2.415 1.00 0.00 C ATOM 797 C ILE A 104 3.279 -8.377 1.620 1.00 0.00 C ATOM 798 O ILE A 104 4.337 -8.275 2.209 1.00 0.00 O ATOM 799 CB ILE A 104 0.940 -9.555 1.647 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.007 -10.399 2.534 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.222 -10.363 0.378 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.135 -9.929 3.961 1.00 0.00 C ATOM 0 H ILE A 104 0.525 -7.500 2.447 1.00 0.00 H new ATOM 0 HA ILE A 104 2.535 -9.551 3.123 1.00 0.00 H new ATOM 0 HB ILE A 104 0.466 -8.638 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.982 -10.418 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.374 -11.425 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.289 -10.776 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.668 -9.714 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.910 -11.176 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.813 -10.593 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.841 -9.939 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.536 -8.915 3.972 1.00 0.00 H new ATOM 803 N CYS A 105 3.089 -7.943 0.378 1.00 0.00 N ATOM 804 CA CYS A 105 4.159 -7.355 -0.455 1.00 0.00 C ATOM 805 C CYS A 105 5.194 -6.464 0.318 1.00 0.00 C ATOM 806 O CYS A 105 6.402 -6.631 0.178 1.00 0.00 O ATOM 807 CB CYS A 105 3.510 -6.465 -1.513 1.00 0.00 C ATOM 808 SG CYS A 105 2.560 -7.301 -2.761 1.00 0.00 S ATOM 0 H CYS A 105 2.185 -7.985 -0.092 1.00 0.00 H new ATOM 0 HA CYS A 105 4.710 -8.202 -0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.860 -5.750 -1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.294 -5.890 -2.006 1.00 0.00 H new ATOM 809 N PHE A 106 4.668 -5.640 1.227 1.00 0.00 N ATOM 810 CA PHE A 106 5.470 -4.761 2.090 1.00 0.00 C ATOM 811 C PHE A 106 6.184 -5.503 3.210 1.00 0.00 C ATOM 812 O PHE A 106 7.387 -5.286 3.382 1.00 0.00 O ATOM 813 CB PHE A 106 4.605 -3.574 2.463 1.00 0.00 C ATOM 814 CG PHE A 106 4.164 -2.705 1.215 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.549 -2.863 -0.166 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.156 -1.802 1.504 1.00 0.00 C ATOM 817 CE1 PHE A 106 3.931 -2.102 -1.152 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.605 -0.989 0.524 1.00 0.00 C ATOM 819 CZ PHE A 106 2.991 -1.144 -0.803 1.00 0.00 C ATOM 0 H PHE A 106 3.664 -5.561 1.388 1.00 0.00 H new ATOM 0 HA PHE A 106 6.334 -4.357 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.715 -3.930 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.150 -2.941 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.318 -3.573 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.789 -1.728 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.183 -2.257 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.877 -0.237 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.556 -0.515 -1.566 1.00 0.00 H new ATOM 820 N SER A 107 5.511 -6.433 3.912 1.00 0.00 N ATOM 821 CA SER A 107 6.237 -7.380 4.794 1.00 0.00 C ATOM 822 C SER A 107 7.354 -8.255 4.129 1.00 0.00 C ATOM 823 O SER A 107 8.353 -8.565 4.782 1.00 0.00 O ATOM 824 CB SER A 107 5.245 -8.363 5.477 1.00 0.00 C ATOM 825 OG SER A 107 5.882 -9.289 6.360 1.00 0.00 O ATOM 0 H SER A 107 4.498 -6.552 3.892 1.00 0.00 H new ATOM 0 HA SER A 107 6.738 -6.712 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.504 -7.791 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.707 -8.917 4.708 1.00 0.00 H new ATOM 0 HG SER A 107 6.154 -8.826 7.180 1.00 0.00 H new ATOM 826 N LYS A 108 7.121 -8.656 2.874 1.00 0.00 N ATOM 827 CA LYS A 108 7.775 -9.814 2.272 1.00 0.00 C ATOM 828 C LYS A 108 8.189 -9.572 0.809 1.00 0.00 C ATOM 829 O LYS A 108 9.401 -9.464 0.628 1.00 0.00 O ATOM 830 CB LYS A 108 7.017 -11.147 2.544 1.00 0.00 C ATOM 831 CG LYS A 108 5.519 -11.120 2.894 1.00 0.00 C ATOM 832 CD LYS A 108 4.673 -12.183 2.204 1.00 0.00 C ATOM 833 CE LYS A 108 4.642 -12.102 0.666 1.00 0.00 C ATOM 834 NZ LYS A 108 3.788 -13.161 0.099 1.00 0.00 N ATOM 0 H LYS A 108 6.470 -8.182 2.248 1.00 0.00 H new ATOM 0 HA LYS A 108 8.725 -9.949 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.132 -11.772 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.532 -11.653 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.412 -11.237 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.120 -10.138 2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.047 -13.165 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.651 -12.109 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.270 -11.125 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.654 -12.196 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.674 -13.005 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.231 -14.088 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.856 -13.138 0.559 1.00 0.00 H new ATOM 835 N ALA A 109 7.280 -9.528 -0.203 1.00 0.00 N ATOM 836 CA ALA A 109 7.638 -9.523 -1.658 1.00 0.00 C ATOM 837 C ALA A 109 8.930 -10.320 -2.101 1.00 0.00 C ATOM 838 O ALA A 109 9.541 -11.087 -1.353 1.00 0.00 O ATOM 839 CB ALA A 109 7.663 -8.076 -2.237 1.00 0.00 C ATOM 0 H ALA A 109 6.274 -9.495 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 109 6.824 -10.100 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.926 -8.112 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.679 -7.622 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.401 -7.482 -1.699 1.00 0.00 H new ATOM 840 N PRO A 110 9.350 -10.131 -3.355 1.00 0.00 N ATOM 841 CA PRO A 110 10.802 -10.290 -3.784 1.00 0.00 C ATOM 842 C PRO A 110 11.543 -8.961 -3.530 1.00 0.00 C ATOM 843 O PRO A 110 11.928 -8.180 -4.406 1.00 0.00 O ATOM 844 CB PRO A 110 10.637 -10.607 -5.279 1.00 0.00 C ATOM 845 CG PRO A 110 9.319 -11.393 -5.244 1.00 0.00 C ATOM 846 CD PRO A 110 8.423 -10.433 -4.459 1.00 0.00 C ATOM 0 HA PRO A 110 11.382 -11.049 -3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.569 -9.707 -5.890 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.464 -11.198 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.932 -11.593 -6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.427 -12.356 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.144 -9.549 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.497 -10.898 -4.120 1.00 0.00 H new ATOM 847 N TYR A 111 11.685 -8.801 -2.222 1.00 0.00 N ATOM 848 CA TYR A 111 12.095 -7.522 -1.599 1.00 0.00 C ATOM 849 C TYR A 111 13.518 -7.020 -2.019 1.00 0.00 C ATOM 850 O TYR A 111 14.384 -7.869 -2.264 1.00 0.00 O ATOM 851 CB TYR A 111 12.297 -7.850 -0.051 1.00 0.00 C ATOM 852 CG TYR A 111 11.837 -6.714 0.837 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.470 -6.600 0.901 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.642 -5.711 1.435 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.877 -5.498 1.485 1.00 0.00 C ATOM 856 CE2 TYR A 111 12.030 -4.659 2.128 1.00 0.00 C ATOM 857 CZ TYR A 111 10.639 -4.553 2.158 1.00 0.00 C ATOM 858 OH TYR A 111 10.077 -3.436 2.691 1.00 0.00 O ATOM 0 H TYR A 111 11.522 -9.549 -1.549 1.00 0.00 H new ATOM 0 HA TYR A 111 11.345 -6.781 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.744 -8.754 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.350 -8.056 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.850 -7.383 0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.718 -5.758 1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.807 -5.370 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.637 -3.927 2.641 1.00 0.00 H new ATOM 0 HH TYR A 111 9.194 -3.291 2.291 1.00 0.00 H new ATOM 859 N ASN A 112 13.792 -5.700 -2.040 1.00 0.00 N ATOM 860 CA ASN A 112 15.179 -5.200 -2.215 1.00 0.00 C ATOM 861 C ASN A 112 15.226 -3.826 -1.480 1.00 0.00 C ATOM 862 O ASN A 112 14.666 -2.821 -1.912 1.00 0.00 O ATOM 863 CB ASN A 112 15.642 -5.104 -3.679 1.00 0.00 C ATOM 864 CG ASN A 112 15.924 -6.423 -4.399 1.00 0.00 C ATOM 865 OD1 ASN A 112 16.845 -7.156 -4.041 1.00 0.00 O ATOM 866 ND2 ASN A 112 15.160 -6.758 -5.424 1.00 0.00 N ATOM 0 H ASN A 112 13.088 -4.969 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 112 15.886 -5.912 -1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 112 14.880 -4.565 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 112 16.548 -4.499 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.332 -7.630 -5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.398 -6.145 -5.714 1.00 0.00 H new ATOM 867 N LYS A 113 15.917 -3.869 -0.340 1.00 0.00 N ATOM 868 CA LYS A 113 16.039 -2.792 0.665 1.00 0.00 C ATOM 869 C LYS A 113 17.284 -1.922 0.684 1.00 0.00 C ATOM 870 O LYS A 113 17.991 -1.737 1.678 1.00 0.00 O ATOM 871 CB LYS A 113 15.594 -3.377 1.989 1.00 0.00 C ATOM 872 CG LYS A 113 16.268 -4.627 2.559 1.00 0.00 C ATOM 873 CD LYS A 113 17.769 -4.632 2.809 1.00 0.00 C ATOM 874 CE LYS A 113 18.614 -5.070 1.603 1.00 0.00 C ATOM 875 NZ LYS A 113 19.998 -5.391 1.995 1.00 0.00 N ATOM 0 H LYS A 113 16.440 -4.702 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 113 15.377 -1.983 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.694 -2.590 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.531 -3.599 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.780 -4.855 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.049 -5.452 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.078 -3.631 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 113 17.983 -5.296 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.157 -5.942 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.622 -4.276 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.538 -5.682 1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.443 -4.551 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.992 -6.166 2.689 1.00 0.00 H new ATOM 876 N GLU A 114 17.538 -1.365 -0.503 1.00 0.00 N ATOM 877 CA GLU A 114 18.919 -1.414 -1.006 1.00 0.00 C ATOM 878 C GLU A 114 19.289 -0.191 -1.841 1.00 0.00 C ATOM 879 O GLU A 114 20.401 0.329 -1.721 1.00 0.00 O ATOM 880 CB GLU A 114 19.012 -2.896 -1.546 1.00 0.00 C ATOM 881 CG GLU A 114 18.716 -3.020 -3.005 1.00 0.00 C ATOM 882 CD GLU A 114 19.281 -4.215 -3.728 1.00 0.00 C ATOM 883 OE1 GLU A 114 19.239 -5.365 -3.289 1.00 0.00 O ATOM 884 OE2 GLU A 114 19.829 -3.871 -4.936 1.00 0.00 O ATOM 0 H GLU A 114 16.856 -0.902 -1.104 1.00 0.00 H new ATOM 0 HA GLU A 114 19.740 -1.281 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.013 -3.282 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.315 -3.522 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.633 -3.032 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.084 -2.122 -3.501 1.00 0.00 H new ATOM 885 N HIS A 115 18.352 0.238 -2.712 1.00 0.00 N ATOM 886 CA HIS A 115 18.456 1.473 -3.480 1.00 0.00 C ATOM 887 C HIS A 115 18.007 2.656 -2.601 1.00 0.00 C ATOM 888 O HIS A 115 18.660 3.676 -2.807 1.00 0.00 O ATOM 889 CB HIS A 115 17.688 1.363 -4.822 1.00 0.00 C ATOM 890 CG HIS A 115 16.279 0.802 -4.797 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.238 1.438 -4.143 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.074 -0.586 -4.820 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.526 0.333 -3.770 1.00 0.00 C ATOM 894 NE2 HIS A 115 14.903 -0.909 -4.190 1.00 0.00 N ATOM 0 H HIS A 115 17.493 -0.280 -2.896 1.00 0.00 H new ATOM 0 HA HIS A 115 19.494 1.655 -3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.642 2.359 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.281 0.744 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.747 -1.300 -5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.658 0.444 -3.137 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.446 -1.813 -4.070 1.00 0.00 H new ATOM 895 N LYS A 116 17.004 2.482 -1.636 1.00 0.00 N ATOM 896 CA LYS A 116 16.252 3.492 -0.888 1.00 0.00 C ATOM 897 C LYS A 116 16.850 4.864 -0.805 1.00 0.00 C ATOM 898 O LYS A 116 18.077 5.009 -0.832 1.00 0.00 O ATOM 899 CB LYS A 116 16.200 2.764 0.535 1.00 0.00 C ATOM 900 CG LYS A 116 15.424 3.695 1.463 1.00 0.00 C ATOM 901 CD LYS A 116 15.034 3.106 2.773 1.00 0.00 C ATOM 902 CE LYS A 116 14.657 4.302 3.664 1.00 0.00 C ATOM 903 NZ LYS A 116 14.211 3.920 5.012 1.00 0.00 N ATOM 0 H LYS A 116 16.709 1.542 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 116 15.300 3.740 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.709 1.794 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 116 17.205 2.583 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.028 4.583 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.522 4.025 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.194 2.420 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.855 2.536 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.518 4.965 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.865 4.871 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.529 4.622 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.757 2.985 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.031 3.882 5.651 1.00 0.00 H new ATOM 904 N ASN A 117 15.995 5.871 -0.489 1.00 0.00 N ATOM 905 CA ASN A 117 16.507 7.186 0.038 1.00 0.00 C ATOM 906 C ASN A 117 16.839 8.194 -1.095 1.00 0.00 C ATOM 907 O ASN A 117 16.581 9.391 -0.967 1.00 0.00 O ATOM 908 CB ASN A 117 17.698 6.955 1.030 1.00 0.00 C ATOM 909 CG ASN A 117 17.700 7.829 2.262 1.00 0.00 C ATOM 910 OD1 ASN A 117 18.073 9.001 2.213 1.00 0.00 O ATOM 911 ND2 ASN A 117 17.287 7.295 3.399 1.00 0.00 N ATOM 0 H ASN A 117 14.981 5.814 -0.581 1.00 0.00 H new ATOM 0 HA ASN A 117 15.703 7.656 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.687 5.912 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.632 7.115 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.275 7.856 4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.981 6.322 3.424 1.00 0.00 H new ATOM 912 N LEU A 118 17.411 7.583 -2.146 1.00 0.00 N ATOM 913 CA LEU A 118 17.624 8.080 -3.499 1.00 0.00 C ATOM 914 C LEU A 118 17.102 9.419 -3.904 1.00 0.00 C ATOM 915 O LEU A 118 17.430 10.467 -3.338 1.00 0.00 O ATOM 916 CB LEU A 118 17.764 6.798 -4.335 1.00 0.00 C ATOM 917 CG LEU A 118 16.608 6.079 -4.902 1.00 0.00 C ATOM 918 CD1 LEU A 118 16.996 4.631 -5.075 1.00 0.00 C ATOM 919 CD2 LEU A 118 15.300 6.133 -4.215 1.00 0.00 C ATOM 0 H LEU A 118 17.769 6.633 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 118 18.499 8.682 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 118 18.416 7.045 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 118 18.300 6.081 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 118 16.412 6.626 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.156 4.077 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.849 4.561 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 118 17.263 4.208 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.571 5.547 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.400 5.723 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.964 7.168 -4.153 1.00 0.00 H new ATOM 920 N ASP A 119 16.451 9.374 -5.037 1.00 0.00 N ATOM 921 CA ASP A 119 16.519 10.440 -6.031 1.00 0.00 C ATOM 922 C ASP A 119 15.231 10.255 -6.861 1.00 0.00 C ATOM 923 O ASP A 119 14.251 9.642 -6.400 1.00 0.00 O ATOM 924 CB ASP A 119 17.974 10.241 -6.538 1.00 0.00 C ATOM 925 CG ASP A 119 18.917 11.405 -6.317 1.00 0.00 C ATOM 926 OD1 ASP A 119 18.900 12.430 -6.997 1.00 0.00 O ATOM 927 OD2 ASP A 119 19.783 11.177 -5.279 1.00 0.00 O ATOM 0 H ASP A 119 15.851 8.595 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 119 16.458 11.510 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 119 18.392 9.362 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.940 10.024 -7.606 1.00 0.00 H new ATOM 928 N THR A 120 15.148 10.852 -8.061 1.00 0.00 N ATOM 929 CA THR A 120 13.893 10.814 -8.868 1.00 0.00 C ATOM 930 C THR A 120 14.087 10.756 -10.410 1.00 0.00 C ATOM 931 O THR A 120 13.615 11.649 -11.125 1.00 0.00 O ATOM 932 CB THR A 120 12.938 11.980 -8.458 1.00 0.00 C ATOM 933 OG1 THR A 120 13.451 13.261 -8.815 1.00 0.00 O ATOM 934 CG2 THR A 120 12.633 11.977 -6.961 1.00 0.00 C ATOM 0 H THR A 120 15.916 11.362 -8.498 1.00 0.00 H new ATOM 0 HA THR A 120 13.432 9.857 -8.623 1.00 0.00 H new ATOM 0 HB THR A 120 12.018 11.801 -9.015 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.696 13.262 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.966 12.806 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 120 12.154 11.036 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 120 13.561 12.087 -6.400 1.00 0.00 H new ATOM 935 N LYS A 121 14.736 9.695 -10.958 1.00 0.00 N ATOM 936 CA LYS A 121 15.104 9.701 -12.433 1.00 0.00 C ATOM 937 C LYS A 121 15.454 8.259 -12.900 1.00 0.00 C ATOM 938 O LYS A 121 14.703 7.653 -13.668 1.00 0.00 O ATOM 939 CB LYS A 121 16.123 10.842 -12.761 1.00 0.00 C ATOM 940 CG LYS A 121 17.183 11.052 -11.686 1.00 0.00 C ATOM 941 CD LYS A 121 18.130 12.240 -11.783 1.00 0.00 C ATOM 942 CE LYS A 121 18.675 12.553 -10.362 1.00 0.00 C ATOM 943 NZ LYS A 121 19.572 13.720 -10.351 1.00 0.00 N ATOM 0 H LYS A 121 15.012 8.856 -10.447 1.00 0.00 H new ATOM 0 HA LYS A 121 14.250 9.973 -13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 121 16.618 10.614 -13.705 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.576 11.774 -12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.666 11.125 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.794 10.150 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 121 18.952 12.015 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 121 17.609 13.107 -12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.839 12.734 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 121 19.210 11.683 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 19.910 13.889 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.385 13.539 -10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.056 14.557 -10.689 1.00 0.00 H new ATOM 944 N LYS A 122 16.538 7.698 -12.363 1.00 0.00 N ATOM 945 CA LYS A 122 16.737 6.238 -12.188 1.00 0.00 C ATOM 946 C LYS A 122 15.619 5.496 -11.250 1.00 0.00 C ATOM 947 O LYS A 122 15.074 4.421 -11.488 1.00 0.00 O ATOM 948 CB LYS A 122 18.056 6.264 -11.261 1.00 0.00 C ATOM 949 CG LYS A 122 19.248 5.703 -11.914 1.00 0.00 C ATOM 950 CD LYS A 122 20.471 5.550 -11.036 1.00 0.00 C ATOM 951 CE LYS A 122 21.523 6.591 -11.429 1.00 0.00 C ATOM 952 NZ LYS A 122 22.784 6.441 -10.685 1.00 0.00 N ATOM 0 H LYS A 122 17.327 8.249 -12.026 1.00 0.00 H new ATOM 0 HA LYS A 122 16.736 5.727 -13.151 1.00 0.00 H new ATOM 0 HB2 LYS A 122 18.263 7.293 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 122 17.857 5.706 -10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 122 18.990 4.724 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.509 6.339 -12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.196 5.674 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.882 4.546 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 122 21.725 6.510 -12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 122 21.121 7.589 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 23.574 6.783 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 22.737 6.996 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 22.933 5.438 -10.453 1.00 0.00 H new ATOM 953 N TYR A 123 15.465 6.297 -10.224 1.00 0.00 N ATOM 954 CA TYR A 123 14.803 6.278 -8.942 1.00 0.00 C ATOM 955 C TYR A 123 13.297 6.474 -9.225 1.00 0.00 C ATOM 956 O TYR A 123 12.537 5.534 -8.996 1.00 0.00 O ATOM 957 CB TYR A 123 15.534 7.517 -8.330 1.00 0.00 C ATOM 958 CG TYR A 123 17.058 7.711 -8.456 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.950 6.870 -7.839 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.561 8.686 -9.307 1.00 0.00 C ATOM 961 CE1 TYR A 123 19.313 7.122 -7.892 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.956 8.907 -9.406 1.00 0.00 C ATOM 963 CZ TYR A 123 19.832 8.148 -8.655 1.00 0.00 C ATOM 964 OH TYR A 123 21.175 8.380 -8.698 1.00 0.00 O ATOM 0 H TYR A 123 15.923 7.205 -10.303 1.00 0.00 H new ATOM 0 HA TYR A 123 14.849 5.398 -8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.068 8.402 -8.762 1.00 0.00 H new ATOM 0 HB3 TYR A 123 15.303 7.523 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.587 6.003 -7.307 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.882 9.281 -9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.986 6.499 -7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.335 9.670 -10.070 1.00 0.00 H new ATOM 0 HH TYR A 123 21.357 9.142 -9.287 1.00 0.00 H new ATOM 965 N CYS A 124 12.865 7.633 -9.820 1.00 0.00 N ATOM 966 CA CYS A 124 11.496 7.820 -10.316 1.00 0.00 C ATOM 967 C CYS A 124 11.359 7.244 -11.734 1.00 0.00 C ATOM 968 O CYS A 124 10.848 6.149 -11.963 1.00 0.00 O ATOM 969 CB CYS A 124 10.868 9.212 -10.186 1.00 0.00 C ATOM 970 SG CYS A 124 10.747 9.774 -8.487 1.00 0.00 S ATOM 971 OXT CYS A 124 11.887 8.066 -12.700 1.00 0.00 O ATOM 0 H CYS A 124 13.465 8.446 -9.959 1.00 0.00 H new ATOM 0 HA CYS A 124 10.887 7.250 -9.614 1.00 0.00 H new ATOM 0 HB2 CYS A 124 11.461 9.926 -10.757 1.00 0.00 H new ATOM 0 HB3 CYS A 124 9.872 9.198 -10.629 1.00 0.00 H new