USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=29 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 74 SER OG : rot -111:sc= 0.409 USER MOD Set 1.2: A 86 SER OG : rot 50:sc= 0.454 USER MOD Set 2.1: A 8 MET CE :methyl -165:sc= -3.43 (180deg=-4.05!) USER MOD Set 2.2: A 73 TYR OH : rot -119:sc= -0.501 USER MOD Set 3.1: A 1 ALA N :NH3+ 169:sc= -0.103 (180deg=-0.368) USER MOD Set 3.2: A 48 HIS : no HE2:sc= -0.727 K(o=-1.4,f=-3.6) USER MOD Set 3.3: A 52 TYR OH : rot 58:sc= 0.232 USER MOD Set 3.4: A 70 THR OG1 : rot 70:sc= -0.813 USER MOD Set 3.5: A 72 SER OG : rot 130:sc= 0.0234 USER MOD Set 4.1: A 25 TYR OH : rot -93:sc= 1.23 USER MOD Set 4.2: A 111 TYR OH : rot -161:sc= 1.55 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.25) USER MOD Single : A 20 MET CE :methyl -143:sc= -0.888 (180deg=-2.36) USER MOD Single : A 23 ASN : amide:sc= -0.111 K(o=-0.11,f=-1) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 28 TYR OH : rot 150:sc= -0.131 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 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.9) 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=-0.019) USER MOD Single : A 60 SER OG : rot 130:sc= 0.133 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot -16:sc= 0.076 USER MOD Single : A 75 TYR OH : rot 165:sc= -0.174 USER MOD Single : A 76 SER OG : rot 9:sc= 0.233 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 80 THR OG1 : rot -109:sc= 1.22 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.1 K(o=-1.1,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 107 SER OG : rot -76:sc= 1.25 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.58) USER MOD Single : A 116 LYS NZ :NH3+ -116:sc=0.000812 (180deg=-0.582) USER MOD Single : A 117 ASN : amide:sc=-0.00468 X(o=-0.0047,f=0) USER MOD Single : A 120 THR OG1 : rot -48:sc= 0.815 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.980 0.890 3.799 1.00 0.00 N ATOM 2 CA ALA A 1 -6.510 2.128 4.408 1.00 0.00 C ATOM 3 C ALA A 1 -5.026 2.187 4.669 1.00 0.00 C ATOM 4 O ALA A 1 -4.371 1.189 4.926 1.00 0.00 O ATOM 5 CB ALA A 1 -7.399 2.539 5.559 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.019 0.862 3.828 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.660 0.846 2.811 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.597 0.078 4.324 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.617 2.910 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.025 3.466 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.415 2.693 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.398 1.756 6.317 1.00 0.00 H new ATOM 6 N LEU A 2 -4.507 3.399 4.500 1.00 0.00 N ATOM 7 CA LEU A 2 -3.068 3.676 4.397 1.00 0.00 C ATOM 8 C LEU A 2 -2.446 4.015 5.743 1.00 0.00 C ATOM 9 O LEU A 2 -1.444 3.402 6.073 1.00 0.00 O ATOM 10 CB LEU A 2 -3.000 4.784 3.349 1.00 0.00 C ATOM 11 CG LEU A 2 -1.681 5.076 2.644 1.00 0.00 C ATOM 12 CD1 LEU A 2 -0.707 5.932 3.428 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.042 3.817 2.075 1.00 0.00 C ATOM 0 H LEU A 2 -5.083 4.238 4.429 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.472 2.815 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.736 4.550 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.324 5.707 3.830 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.955 5.708 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.199 6.082 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.164 6.898 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.455 5.432 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.105 4.075 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.845 3.112 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.718 3.361 1.352 1.00 0.00 H new ATOM 14 N TRP A 3 -3.019 4.963 6.504 1.00 0.00 N ATOM 15 CA TRP A 3 -2.730 5.126 7.948 1.00 0.00 C ATOM 16 C TRP A 3 -3.198 3.911 8.808 1.00 0.00 C ATOM 17 O TRP A 3 -2.481 3.512 9.729 1.00 0.00 O ATOM 18 CB TRP A 3 -3.342 6.450 8.470 1.00 0.00 C ATOM 19 CG TRP A 3 -4.905 6.537 8.534 1.00 0.00 C ATOM 20 CD1 TRP A 3 -5.726 6.064 9.592 1.00 0.00 C ATOM 21 CD2 TRP A 3 -5.804 6.881 7.528 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.087 6.127 9.287 1.00 0.00 N ATOM 23 CE2 TRP A 3 -7.117 6.641 8.012 1.00 0.00 C ATOM 24 CE3 TRP A 3 -5.606 7.183 6.149 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -8.219 6.746 7.128 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -6.708 7.354 5.330 1.00 0.00 C ATOM 27 CH2 TRP A 3 -8.007 7.201 5.833 1.00 0.00 C ATOM 0 H TRP A 3 -3.693 5.637 6.142 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.646 5.167 8.053 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.952 6.631 9.471 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.984 7.261 7.836 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.339 5.696 10.531 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -7.876 5.855 9.874 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.608 7.277 5.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -9.212 6.476 7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.565 7.609 4.290 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.853 7.440 5.206 1.00 0.00 H new ATOM 28 N GLN A 4 -4.392 3.356 8.493 1.00 0.00 N ATOM 29 CA GLN A 4 -4.959 2.198 9.202 1.00 0.00 C ATOM 30 C GLN A 4 -4.226 0.865 8.893 1.00 0.00 C ATOM 31 O GLN A 4 -4.108 0.054 9.815 1.00 0.00 O ATOM 32 CB GLN A 4 -6.493 2.115 9.015 1.00 0.00 C ATOM 33 CG GLN A 4 -7.268 2.261 10.341 1.00 0.00 C ATOM 34 CD GLN A 4 -8.786 2.169 10.194 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.403 1.191 10.613 1.00 0.00 O ATOM 36 NE2 GLN A 4 -9.430 3.180 9.631 1.00 0.00 N ATOM 0 H GLN A 4 -4.985 3.703 7.739 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.782 2.364 10.265 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.813 2.896 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.747 1.160 8.555 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.934 1.486 11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.016 3.221 10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.910 3.987 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.446 3.152 9.542 1.00 0.00 H new ATOM 37 N PHE A 5 -3.724 0.648 7.640 1.00 0.00 N ATOM 38 CA PHE A 5 -2.737 -0.433 7.364 1.00 0.00 C ATOM 39 C PHE A 5 -1.284 -0.060 7.754 1.00 0.00 C ATOM 40 O PHE A 5 -0.465 -0.966 7.857 1.00 0.00 O ATOM 41 CB PHE A 5 -2.934 -1.175 6.019 1.00 0.00 C ATOM 42 CG PHE A 5 -2.013 -0.956 4.822 1.00 0.00 C ATOM 43 CD1 PHE A 5 -1.551 0.317 4.542 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.555 -2.019 4.020 1.00 0.00 C ATOM 45 CE1 PHE A 5 -0.643 0.538 3.520 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.651 -1.786 2.978 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.203 -0.503 2.726 1.00 0.00 C ATOM 0 H PHE A 5 -3.983 1.198 6.821 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.978 -1.229 8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.906 -2.241 6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.945 -0.947 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.904 1.152 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.905 -3.023 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.274 1.537 3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.303 -2.609 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.485 -0.316 1.915 1.00 0.00 H new ATOM 48 N ARG A 6 -0.947 1.217 8.012 1.00 0.00 N ATOM 49 CA ARG A 6 0.341 1.586 8.639 1.00 0.00 C ATOM 50 C ARG A 6 0.462 1.418 10.168 1.00 0.00 C ATOM 51 O ARG A 6 1.099 2.209 10.870 1.00 0.00 O ATOM 52 CB ARG A 6 0.690 2.994 8.145 1.00 0.00 C ATOM 53 CG ARG A 6 1.636 2.945 6.949 1.00 0.00 C ATOM 54 CD ARG A 6 1.267 2.257 5.639 1.00 0.00 C ATOM 55 NE ARG A 6 2.372 1.429 5.088 1.00 0.00 N ATOM 56 CZ ARG A 6 2.747 1.301 3.792 1.00 0.00 C ATOM 57 NH1 ARG A 6 2.207 1.958 2.773 1.00 0.00 N ATOM 58 NH2 ARG A 6 3.735 0.480 3.504 1.00 0.00 N ATOM 0 H ARG A 6 -1.547 2.013 7.797 1.00 0.00 H new ATOM 0 HA ARG A 6 1.080 0.852 8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.223 3.521 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.152 3.561 8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.878 3.978 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.556 2.477 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.393 1.626 5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.985 3.012 4.905 1.00 0.00 H new ATOM 0 HE ARG A 6 2.913 0.893 5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.448 2.620 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.551 1.801 1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.198 -0.041 4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.037 0.365 2.537 1.00 0.00 H new ATOM 59 N SER A 7 -0.183 0.363 10.661 1.00 0.00 N ATOM 60 CA SER A 7 0.101 -0.172 12.030 1.00 0.00 C ATOM 61 C SER A 7 0.832 -1.516 11.852 1.00 0.00 C ATOM 62 O SER A 7 2.047 -1.591 11.711 1.00 0.00 O ATOM 63 CB SER A 7 -1.154 -0.059 12.903 1.00 0.00 C ATOM 64 OG SER A 7 -0.909 -0.522 14.225 1.00 0.00 O ATOM 0 H SER A 7 -0.904 -0.149 10.153 1.00 0.00 H new ATOM 0 HA SER A 7 0.800 0.406 12.633 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.485 0.979 12.935 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.963 -0.638 12.457 1.00 0.00 H new ATOM 0 HG SER A 7 -1.727 -0.436 14.758 1.00 0.00 H new ATOM 65 N MET A 8 0.009 -2.549 11.855 1.00 0.00 N ATOM 66 CA MET A 8 0.169 -3.801 11.097 1.00 0.00 C ATOM 67 C MET A 8 1.093 -4.036 9.898 1.00 0.00 C ATOM 68 O MET A 8 1.525 -5.172 9.766 1.00 0.00 O ATOM 69 CB MET A 8 -1.279 -3.973 10.618 1.00 0.00 C ATOM 70 CG MET A 8 -1.845 -2.830 9.780 1.00 0.00 C ATOM 71 SD MET A 8 -1.747 -3.432 8.101 1.00 0.00 S ATOM 72 CE MET A 8 -3.444 -3.887 8.164 1.00 0.00 C ATOM 0 H MET A 8 -0.843 -2.548 12.416 1.00 0.00 H new ATOM 0 HA MET A 8 0.691 -4.481 11.771 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.341 -4.891 10.034 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.917 -4.107 11.492 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.872 -2.600 10.062 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.266 -1.916 9.910 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.672 -4.556 7.335 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.650 -4.394 9.107 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.063 -2.993 8.090 1.00 0.00 H new ATOM 73 N ILE A 9 1.376 -3.099 8.979 1.00 0.00 N ATOM 74 CA ILE A 9 2.533 -3.255 8.014 1.00 0.00 C ATOM 75 C ILE A 9 3.877 -3.498 8.777 1.00 0.00 C ATOM 76 O ILE A 9 4.682 -4.313 8.369 1.00 0.00 O ATOM 77 CB ILE A 9 2.511 -2.028 7.061 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.394 -2.187 5.995 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.824 -1.611 6.371 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.857 -2.813 4.703 1.00 0.00 C ATOM 0 H ILE A 9 0.846 -2.235 8.865 1.00 0.00 H new ATOM 0 HA ILE A 9 2.435 -4.147 7.395 1.00 0.00 H new ATOM 0 HB ILE A 9 2.317 -1.206 7.750 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.592 -2.795 6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.971 -1.206 5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.643 -0.740 5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.569 -1.363 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.190 -2.434 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.016 -2.888 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.637 -2.195 4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.252 -3.809 4.902 1.00 0.00 H new ATOM 81 N LYS A 10 4.058 -2.835 9.898 1.00 0.00 N ATOM 82 CA LYS A 10 5.142 -3.010 10.872 1.00 0.00 C ATOM 83 C LYS A 10 4.862 -4.046 12.015 1.00 0.00 C ATOM 84 O LYS A 10 5.746 -4.309 12.832 1.00 0.00 O ATOM 85 CB LYS A 10 5.237 -1.518 11.193 1.00 0.00 C ATOM 86 CG LYS A 10 6.128 -1.141 12.336 1.00 0.00 C ATOM 87 CD LYS A 10 5.383 -1.238 13.661 1.00 0.00 C ATOM 88 CE LYS A 10 6.089 -0.527 14.810 1.00 0.00 C ATOM 89 NZ LYS A 10 5.335 -0.672 16.067 1.00 0.00 N ATOM 0 H LYS A 10 3.409 -2.102 10.185 1.00 0.00 H new ATOM 0 HA LYS A 10 6.076 -3.484 10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.586 -0.998 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.234 -1.149 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.999 -1.796 12.355 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.497 -0.125 12.195 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.386 -0.814 13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.253 -2.289 13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.091 -0.937 14.934 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.204 0.530 14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.838 -0.179 16.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.387 -0.259 15.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.247 -1.681 16.305 1.00 0.00 H new ATOM 90 N CYS A 11 3.664 -4.647 12.085 1.00 0.00 N ATOM 91 CA CYS A 11 3.511 -6.058 12.524 1.00 0.00 C ATOM 92 C CYS A 11 4.154 -6.992 11.378 1.00 0.00 C ATOM 93 O CYS A 11 5.061 -7.768 11.669 1.00 0.00 O ATOM 94 CB CYS A 11 2.057 -6.546 12.720 1.00 0.00 C ATOM 95 SG CYS A 11 1.114 -5.876 14.092 1.00 0.00 S ATOM 0 H CYS A 11 2.786 -4.187 11.846 1.00 0.00 H new ATOM 0 HA CYS A 11 3.997 -6.119 13.498 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.508 -6.332 11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.082 -7.630 12.831 1.00 0.00 H new ATOM 96 N ALA A 12 3.687 -6.832 10.119 1.00 0.00 N ATOM 97 CA ALA A 12 4.186 -7.513 8.894 1.00 0.00 C ATOM 98 C ALA A 12 5.708 -7.634 8.740 1.00 0.00 C ATOM 99 O ALA A 12 6.228 -8.722 8.475 1.00 0.00 O ATOM 100 CB ALA A 12 3.363 -7.047 7.680 1.00 0.00 C ATOM 0 H ALA A 12 2.916 -6.196 9.916 1.00 0.00 H new ATOM 0 HA ALA A 12 3.995 -8.581 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.727 -7.545 6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.313 -7.298 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.465 -5.968 7.564 1.00 0.00 H new ATOM 101 N ILE A 13 6.415 -6.549 9.009 1.00 0.00 N ATOM 102 CA ILE A 13 7.873 -6.515 9.203 1.00 0.00 C ATOM 103 C ILE A 13 7.898 -6.500 10.768 1.00 0.00 C ATOM 104 O ILE A 13 7.264 -5.603 11.312 1.00 0.00 O ATOM 105 CB ILE A 13 8.280 -5.159 8.540 1.00 0.00 C ATOM 106 CG1 ILE A 13 8.140 -5.215 6.987 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.651 -4.605 8.911 1.00 0.00 C ATOM 108 CD1 ILE A 13 6.845 -4.585 6.501 1.00 0.00 C ATOM 0 H ILE A 13 5.983 -5.630 9.104 1.00 0.00 H new ATOM 0 HA ILE A 13 8.523 -7.291 8.799 1.00 0.00 H new ATOM 0 HB ILE A 13 7.565 -4.456 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.985 -4.701 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.182 -6.253 6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.817 -3.663 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.696 -4.435 9.987 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.422 -5.320 8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.795 -4.649 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.997 -5.115 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.813 -3.539 6.805 1.00 0.00 H new ATOM 109 N PRO A 14 8.511 -7.414 11.551 1.00 0.00 N ATOM 110 CA PRO A 14 8.683 -7.232 13.073 1.00 0.00 C ATOM 111 C PRO A 14 9.740 -6.095 13.294 1.00 0.00 C ATOM 112 O PRO A 14 10.952 -6.286 13.417 1.00 0.00 O ATOM 113 CB PRO A 14 9.144 -8.634 13.489 1.00 0.00 C ATOM 114 CG PRO A 14 9.716 -9.294 12.214 1.00 0.00 C ATOM 115 CD PRO A 14 9.583 -8.280 11.072 1.00 0.00 C ATOM 0 HA PRO A 14 7.813 -6.922 13.652 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.900 -8.579 14.272 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.313 -9.215 13.889 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.760 -9.571 12.361 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.173 -10.209 11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.509 -7.729 10.907 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.326 -8.761 10.128 1.00 0.00 H new ATOM 116 N GLY A 15 9.147 -4.910 13.174 1.00 0.00 N ATOM 117 CA GLY A 15 9.730 -3.873 12.307 1.00 0.00 C ATOM 118 C GLY A 15 9.855 -2.471 12.880 1.00 0.00 C ATOM 119 O GLY A 15 10.074 -2.324 14.087 1.00 0.00 O ATOM 0 H GLY A 15 8.286 -4.642 13.650 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.724 -4.204 12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.127 -3.814 11.401 1.00 0.00 H new ATOM 120 N SER A 16 9.806 -1.438 12.000 1.00 0.00 N ATOM 121 CA SER A 16 10.191 -0.043 12.423 1.00 0.00 C ATOM 122 C SER A 16 9.175 1.032 11.967 1.00 0.00 C ATOM 123 O SER A 16 8.194 1.253 12.679 1.00 0.00 O ATOM 124 CB SER A 16 11.673 0.198 12.041 1.00 0.00 C ATOM 125 OG SER A 16 12.142 1.444 12.546 1.00 0.00 O ATOM 0 H SER A 16 9.517 -1.525 11.026 1.00 0.00 H new ATOM 0 HA SER A 16 10.132 0.056 13.507 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.288 -0.611 12.435 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.779 0.180 10.956 1.00 0.00 H new ATOM 0 HG SER A 16 13.080 1.568 12.291 1.00 0.00 H new ATOM 126 N HIS A 17 9.417 1.730 10.844 1.00 0.00 N ATOM 127 CA HIS A 17 8.406 2.590 10.170 1.00 0.00 C ATOM 128 C HIS A 17 7.614 1.632 9.208 1.00 0.00 C ATOM 129 O HIS A 17 8.261 0.886 8.460 1.00 0.00 O ATOM 130 CB HIS A 17 8.921 3.834 9.357 1.00 0.00 C ATOM 131 CG HIS A 17 10.326 3.760 8.832 1.00 0.00 C ATOM 132 ND1 HIS A 17 11.493 4.270 9.387 1.00 0.00 N ATOM 133 CD2 HIS A 17 10.584 2.841 7.844 1.00 0.00 C ATOM 134 CE1 HIS A 17 12.386 3.577 8.604 1.00 0.00 C ATOM 135 NE2 HIS A 17 11.929 2.694 7.660 1.00 0.00 N ATOM 0 H HIS A 17 10.320 1.719 10.370 1.00 0.00 H new ATOM 0 HA HIS A 17 7.818 3.054 10.962 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.250 3.991 8.513 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.842 4.714 9.995 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.827 2.308 7.289 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.448 3.728 8.733 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.444 2.100 7.010 1.00 0.00 H new ATOM 136 N PRO A 18 6.263 1.618 9.145 1.00 0.00 N ATOM 137 CA PRO A 18 5.542 0.844 8.102 1.00 0.00 C ATOM 138 C PRO A 18 5.707 1.501 6.723 1.00 0.00 C ATOM 139 O PRO A 18 6.415 0.897 5.916 1.00 0.00 O ATOM 140 CB PRO A 18 4.125 0.676 8.633 1.00 0.00 C ATOM 141 CG PRO A 18 3.969 1.643 9.815 1.00 0.00 C ATOM 142 CD PRO A 18 5.363 2.202 10.150 1.00 0.00 C ATOM 0 HA PRO A 18 5.944 -0.153 7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.394 0.897 7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.952 -0.352 8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.284 2.452 9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.546 1.128 10.677 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.373 3.291 10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.667 1.925 11.159 1.00 0.00 H new ATOM 143 N LEU A 19 5.180 2.725 6.460 1.00 0.00 N ATOM 144 CA LEU A 19 5.458 3.406 5.201 1.00 0.00 C ATOM 145 C LEU A 19 6.823 3.838 4.819 1.00 0.00 C ATOM 146 O LEU A 19 7.040 3.801 3.639 1.00 0.00 O ATOM 147 CB LEU A 19 4.717 4.775 5.076 1.00 0.00 C ATOM 148 CG LEU A 19 3.658 4.779 4.029 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.831 6.045 4.235 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.240 4.885 2.620 1.00 0.00 C ATOM 0 H LEU A 19 4.574 3.239 7.099 1.00 0.00 H new ATOM 0 HA LEU A 19 5.152 2.569 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.269 5.026 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.445 5.555 4.850 1.00 0.00 H new ATOM 0 HG LEU A 19 3.090 3.853 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.040 6.089 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.388 6.032 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.474 6.920 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.430 4.884 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.808 5.811 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.897 4.036 2.433 1.00 0.00 H new ATOM 151 N MET A 20 7.514 4.535 5.684 1.00 0.00 N ATOM 152 CA MET A 20 8.714 5.336 5.277 1.00 0.00 C ATOM 153 C MET A 20 9.958 4.584 4.748 1.00 0.00 C ATOM 154 O MET A 20 10.846 5.157 4.116 1.00 0.00 O ATOM 155 CB MET A 20 8.850 6.294 6.446 1.00 0.00 C ATOM 156 CG MET A 20 7.830 7.437 6.390 1.00 0.00 C ATOM 157 SD MET A 20 7.171 7.794 8.035 1.00 0.00 S ATOM 158 CE MET A 20 6.224 6.275 8.334 1.00 0.00 C ATOM 0 H MET A 20 7.294 4.585 6.679 1.00 0.00 H new ATOM 0 HA MET A 20 8.588 5.862 4.331 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.724 5.744 7.379 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.857 6.710 6.455 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.301 8.331 5.981 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.015 7.170 5.717 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.308 6.518 8.872 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.973 5.809 7.381 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.822 5.585 8.929 1.00 0.00 H new ATOM 159 N ASP A 21 9.837 3.266 4.909 1.00 0.00 N ATOM 160 CA ASP A 21 10.451 2.235 4.042 1.00 0.00 C ATOM 161 C ASP A 21 9.914 2.161 2.572 1.00 0.00 C ATOM 162 O ASP A 21 10.384 1.325 1.799 1.00 0.00 O ATOM 163 CB ASP A 21 10.397 0.883 4.792 1.00 0.00 C ATOM 164 CG ASP A 21 11.218 -0.275 4.227 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.275 -0.135 3.611 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.646 -1.490 4.506 1.00 0.00 O ATOM 0 H ASP A 21 9.291 2.863 5.671 1.00 0.00 H new ATOM 0 HA ASP A 21 11.486 2.529 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.722 1.055 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.355 0.565 4.837 1.00 0.00 H new ATOM 167 N PHE A 22 8.954 3.014 2.193 1.00 0.00 N ATOM 168 CA PHE A 22 8.179 2.917 0.951 1.00 0.00 C ATOM 169 C PHE A 22 7.735 4.362 0.508 1.00 0.00 C ATOM 170 O PHE A 22 7.706 4.571 -0.702 1.00 0.00 O ATOM 171 CB PHE A 22 6.968 1.973 1.119 1.00 0.00 C ATOM 172 CG PHE A 22 7.263 0.539 1.611 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.277 0.293 3.000 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.494 -0.539 0.740 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.327 -1.007 3.491 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.650 -1.829 1.247 1.00 0.00 C ATOM 177 CZ PHE A 22 7.583 -2.055 2.618 1.00 0.00 C ATOM 0 H PHE A 22 8.687 3.817 2.762 1.00 0.00 H new ATOM 0 HA PHE A 22 8.803 2.485 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.272 2.435 1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.456 1.904 0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.249 1.124 3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.551 -0.368 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.168 -1.199 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.823 -2.655 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.731 -3.052 3.005 1.00 0.00 H new ATOM 178 N ASN A 23 7.439 5.361 1.405 1.00 0.00 N ATOM 179 CA ASN A 23 7.193 6.797 1.014 1.00 0.00 C ATOM 180 C ASN A 23 8.134 7.364 -0.089 1.00 0.00 C ATOM 181 O ASN A 23 7.680 7.936 -1.081 1.00 0.00 O ATOM 182 CB ASN A 23 7.328 7.616 2.337 1.00 0.00 C ATOM 183 CG ASN A 23 7.126 9.133 2.291 1.00 0.00 C ATOM 184 OD1 ASN A 23 6.841 9.747 1.263 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.307 9.790 3.423 1.00 0.00 N ATOM 0 H ASN A 23 7.365 5.197 2.409 1.00 0.00 H new ATOM 0 HA ASN A 23 6.207 6.870 0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.612 7.209 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.323 7.428 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.211 10.805 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.543 9.282 4.275 1.00 0.00 H new ATOM 186 N ASN A 24 9.429 7.180 0.155 1.00 0.00 N ATOM 187 CA ASN A 24 10.507 7.558 -0.761 1.00 0.00 C ATOM 188 C ASN A 24 11.276 6.225 -0.944 1.00 0.00 C ATOM 189 O ASN A 24 12.065 5.816 -0.085 1.00 0.00 O ATOM 190 CB ASN A 24 11.372 8.647 -0.105 1.00 0.00 C ATOM 191 CG ASN A 24 10.824 10.076 -0.143 1.00 0.00 C ATOM 192 OD1 ASN A 24 9.663 10.344 -0.455 1.00 0.00 O ATOM 193 ND2 ASN A 24 11.662 11.038 0.199 1.00 0.00 N ATOM 0 H ASN A 24 9.769 6.753 1.017 1.00 0.00 H new ATOM 0 HA ASN A 24 10.178 7.976 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.533 8.372 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.348 8.644 -0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.349 12.009 0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.622 10.810 0.456 1.00 0.00 H new ATOM 194 N TYR A 25 10.950 5.522 -2.035 1.00 0.00 N ATOM 195 CA TYR A 25 11.512 4.180 -2.329 1.00 0.00 C ATOM 196 C TYR A 25 11.298 3.980 -3.835 1.00 0.00 C ATOM 197 O TYR A 25 10.208 3.604 -4.285 1.00 0.00 O ATOM 198 CB TYR A 25 10.790 3.113 -1.489 1.00 0.00 C ATOM 199 CG TYR A 25 11.500 1.767 -1.395 1.00 0.00 C ATOM 200 CD1 TYR A 25 12.441 1.578 -0.378 1.00 0.00 C ATOM 201 CD2 TYR A 25 11.182 0.686 -2.233 1.00 0.00 C ATOM 202 CE1 TYR A 25 13.025 0.334 -0.157 1.00 0.00 C ATOM 203 CE2 TYR A 25 11.742 -0.569 -1.995 1.00 0.00 C ATOM 204 CZ TYR A 25 12.645 -0.752 -0.942 1.00 0.00 C ATOM 205 OH TYR A 25 13.137 -1.989 -0.676 1.00 0.00 O ATOM 0 H TYR A 25 10.294 5.857 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 25 12.569 4.094 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.649 3.502 -0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.798 2.953 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 25 12.720 2.413 0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.504 0.826 -3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.768 0.212 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.477 -1.404 -2.627 1.00 0.00 H new ATOM 0 HH TYR A 25 13.936 -2.148 -1.221 1.00 0.00 H new ATOM 206 N GLY A 26 12.344 4.290 -4.599 1.00 0.00 N ATOM 207 CA GLY A 26 12.255 4.324 -6.054 1.00 0.00 C ATOM 208 C GLY A 26 11.828 5.685 -6.595 1.00 0.00 C ATOM 209 O GLY A 26 12.601 6.606 -6.852 1.00 0.00 O ATOM 0 H GLY A 26 13.266 4.522 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.224 4.059 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.544 3.568 -6.386 1.00 0.00 H new ATOM 210 N CYS A 27 10.517 5.707 -6.720 1.00 0.00 N ATOM 211 CA CYS A 27 9.715 6.859 -7.154 1.00 0.00 C ATOM 212 C CYS A 27 8.619 7.293 -6.145 1.00 0.00 C ATOM 213 O CYS A 27 8.358 8.494 -6.035 1.00 0.00 O ATOM 214 CB CYS A 27 9.066 6.609 -8.531 1.00 0.00 C ATOM 215 SG CYS A 27 10.076 5.545 -9.566 1.00 0.00 S ATOM 0 H CYS A 27 9.944 4.889 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 27 10.430 7.679 -7.219 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.085 6.155 -8.392 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.908 7.562 -9.036 1.00 0.00 H new ATOM 216 N TYR A 28 7.971 6.331 -5.461 1.00 0.00 N ATOM 217 CA TYR A 28 6.765 6.589 -4.665 1.00 0.00 C ATOM 218 C TYR A 28 6.444 5.646 -3.467 1.00 0.00 C ATOM 219 O TYR A 28 5.807 6.095 -2.512 1.00 0.00 O ATOM 220 CB TYR A 28 5.457 6.570 -5.525 1.00 0.00 C ATOM 221 CG TYR A 28 5.280 5.687 -6.769 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.150 4.290 -6.703 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.059 6.305 -8.002 1.00 0.00 C ATOM 224 CE1 TYR A 28 4.780 3.546 -7.822 1.00 0.00 C ATOM 225 CE2 TYR A 28 4.657 5.565 -9.112 1.00 0.00 C ATOM 226 CZ TYR A 28 4.500 4.186 -9.015 1.00 0.00 C ATOM 227 OH TYR A 28 4.026 3.467 -10.065 1.00 0.00 O ATOM 0 H TYR A 28 8.271 5.356 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 28 7.036 7.567 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.645 6.311 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.286 7.597 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.340 3.783 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.202 7.371 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.712 2.470 -7.757 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.467 6.064 -10.051 1.00 0.00 H new ATOM 0 HH TYR A 28 3.450 4.036 -10.618 1.00 0.00 H new ATOM 228 N CYS A 29 6.775 4.360 -3.620 1.00 0.00 N ATOM 229 CA CYS A 29 6.022 3.206 -3.078 1.00 0.00 C ATOM 230 C CYS A 29 4.654 3.480 -2.443 1.00 0.00 C ATOM 231 O CYS A 29 3.734 3.856 -3.182 1.00 0.00 O ATOM 232 CB CYS A 29 6.928 2.097 -2.541 1.00 0.00 C ATOM 233 SG CYS A 29 5.911 0.667 -2.150 1.00 0.00 S ATOM 0 H CYS A 29 7.603 4.075 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 29 5.574 2.705 -3.936 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.683 1.833 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.459 2.439 -1.652 1.00 0.00 H new ATOM 234 N GLY A 30 4.510 3.378 -1.123 1.00 0.00 N ATOM 235 CA GLY A 30 3.213 3.611 -0.476 1.00 0.00 C ATOM 236 C GLY A 30 2.652 5.040 -0.526 1.00 0.00 C ATOM 237 O GLY A 30 1.472 5.182 -0.861 1.00 0.00 O ATOM 0 H GLY A 30 5.266 3.138 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.482 2.945 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.300 3.318 0.570 1.00 0.00 H new ATOM 238 N LEU A 31 3.446 6.079 -0.185 1.00 0.00 N ATOM 239 CA LEU A 31 2.925 7.453 -0.034 1.00 0.00 C ATOM 240 C LEU A 31 3.204 8.314 -1.231 1.00 0.00 C ATOM 241 O LEU A 31 2.307 8.825 -1.910 1.00 0.00 O ATOM 242 CB LEU A 31 3.128 8.000 1.401 1.00 0.00 C ATOM 243 CG LEU A 31 3.432 9.478 1.666 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.374 10.490 1.227 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.705 9.692 3.175 1.00 0.00 C ATOM 0 H LEU A 31 4.447 5.991 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 31 1.836 7.458 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.225 7.759 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.941 7.426 1.845 1.00 0.00 H new ATOM 0 HG LEU A 31 4.301 9.678 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.711 11.498 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.218 10.410 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.437 10.285 1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.921 10.744 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.827 9.395 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.559 9.087 3.480 1.00 0.00 H new ATOM 246 N GLY A 32 4.505 8.528 -1.326 1.00 0.00 N ATOM 247 CA GLY A 32 4.978 9.801 -1.855 1.00 0.00 C ATOM 248 C GLY A 32 4.699 10.207 -3.320 1.00 0.00 C ATOM 249 O GLY A 32 3.594 10.665 -3.619 1.00 0.00 O ATOM 0 H GLY A 32 5.232 7.866 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.562 10.584 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.059 9.822 -1.718 1.00 0.00 H new ATOM 250 N GLY A 33 5.699 10.065 -4.210 1.00 0.00 N ATOM 251 CA GLY A 33 5.675 10.635 -5.580 1.00 0.00 C ATOM 252 C GLY A 33 4.711 10.073 -6.641 1.00 0.00 C ATOM 253 O GLY A 33 3.602 9.643 -6.313 1.00 0.00 O ATOM 0 H GLY A 33 6.554 9.549 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.462 11.699 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.684 10.548 -5.983 1.00 0.00 H new ATOM 254 N SER A 34 5.121 10.136 -7.931 1.00 0.00 N ATOM 255 CA SER A 34 4.226 9.791 -9.077 1.00 0.00 C ATOM 256 C SER A 34 5.005 9.389 -10.370 1.00 0.00 C ATOM 257 O SER A 34 6.128 9.843 -10.612 1.00 0.00 O ATOM 258 CB SER A 34 3.304 11.012 -9.352 1.00 0.00 C ATOM 259 OG SER A 34 2.298 10.715 -10.316 1.00 0.00 O ATOM 0 H SER A 34 6.060 10.420 -8.210 1.00 0.00 H new ATOM 0 HA SER A 34 3.642 8.913 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.832 11.327 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.907 11.850 -9.703 1.00 0.00 H new ATOM 0 HG SER A 34 1.739 11.507 -10.460 1.00 0.00 H new ATOM 260 N GLY A 35 4.350 8.547 -11.193 1.00 0.00 N ATOM 261 CA GLY A 35 4.880 8.077 -12.490 1.00 0.00 C ATOM 262 C GLY A 35 4.695 6.553 -12.641 1.00 0.00 C ATOM 263 O GLY A 35 3.566 6.058 -12.705 1.00 0.00 O ATOM 0 H GLY A 35 3.428 8.169 -10.974 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.369 8.592 -13.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.938 8.328 -12.568 1.00 0.00 H new ATOM 264 N THR A 36 5.823 5.839 -12.687 1.00 0.00 N ATOM 265 CA THR A 36 5.892 4.358 -12.646 1.00 0.00 C ATOM 266 C THR A 36 7.037 3.943 -11.624 1.00 0.00 C ATOM 267 O THR A 36 7.789 4.815 -11.177 1.00 0.00 O ATOM 268 CB THR A 36 5.997 3.674 -14.047 1.00 0.00 C ATOM 269 OG1 THR A 36 6.033 4.585 -15.149 1.00 0.00 O ATOM 270 CG2 THR A 36 4.807 2.724 -14.259 1.00 0.00 C ATOM 0 H THR A 36 6.742 6.277 -12.756 1.00 0.00 H new ATOM 0 HA THR A 36 4.939 3.972 -12.284 1.00 0.00 H new ATOM 0 HB THR A 36 6.948 3.142 -14.033 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.101 4.082 -15.987 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.888 2.252 -15.238 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.811 1.957 -13.485 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.876 3.289 -14.205 1.00 0.00 H new ATOM 271 N PRO A 37 7.210 2.670 -11.186 1.00 0.00 N ATOM 272 CA PRO A 37 8.115 2.316 -10.044 1.00 0.00 C ATOM 273 C PRO A 37 9.567 1.955 -10.455 1.00 0.00 C ATOM 274 O PRO A 37 10.042 2.341 -11.528 1.00 0.00 O ATOM 275 CB PRO A 37 7.299 1.097 -9.513 1.00 0.00 C ATOM 276 CG PRO A 37 6.951 0.337 -10.801 1.00 0.00 C ATOM 277 CD PRO A 37 6.449 1.495 -11.662 1.00 0.00 C ATOM 0 HA PRO A 37 8.312 3.120 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.885 0.485 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.405 1.412 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.816 -0.163 -11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.189 -0.426 -10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.628 1.309 -12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.376 1.642 -11.542 1.00 0.00 H new ATOM 278 N VAL A 38 10.237 1.183 -9.582 1.00 0.00 N ATOM 279 CA VAL A 38 11.598 0.658 -9.794 1.00 0.00 C ATOM 280 C VAL A 38 11.676 -0.872 -9.449 1.00 0.00 C ATOM 281 O VAL A 38 12.024 -1.717 -10.275 1.00 0.00 O ATOM 282 CB VAL A 38 12.696 1.492 -9.032 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.483 3.008 -9.132 1.00 0.00 C ATOM 284 CG2 VAL A 38 12.912 1.233 -7.513 1.00 0.00 C ATOM 0 H VAL A 38 9.838 0.900 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 38 11.819 0.769 -10.855 1.00 0.00 H new ATOM 0 HB VAL A 38 13.571 1.125 -9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.273 3.523 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.508 3.311 -10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.516 3.269 -8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.701 1.887 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.987 1.438 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.199 0.193 -7.358 1.00 0.00 H new ATOM 285 N ASP A 39 11.347 -1.115 -8.180 1.00 0.00 N ATOM 286 CA ASP A 39 11.426 -2.414 -7.491 1.00 0.00 C ATOM 287 C ASP A 39 10.235 -3.292 -7.831 1.00 0.00 C ATOM 288 O ASP A 39 9.150 -2.784 -8.118 1.00 0.00 O ATOM 289 CB ASP A 39 11.633 -2.176 -5.965 1.00 0.00 C ATOM 290 CG ASP A 39 12.379 -3.327 -5.269 1.00 0.00 C ATOM 291 OD1 ASP A 39 11.832 -4.353 -4.872 1.00 0.00 O ATOM 292 OD2 ASP A 39 13.726 -3.094 -5.174 1.00 0.00 O ATOM 0 H ASP A 39 11.000 -0.376 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 39 12.292 -2.974 -7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.190 -1.250 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.661 -2.041 -5.490 1.00 0.00 H new ATOM 293 N GLU A 40 10.437 -4.625 -7.730 1.00 0.00 N ATOM 294 CA GLU A 40 9.301 -5.564 -7.581 1.00 0.00 C ATOM 295 C GLU A 40 8.261 -5.137 -6.474 1.00 0.00 C ATOM 296 O GLU A 40 7.056 -5.348 -6.615 1.00 0.00 O ATOM 297 CB GLU A 40 9.742 -6.982 -7.197 1.00 0.00 C ATOM 298 CG GLU A 40 8.848 -8.047 -7.835 1.00 0.00 C ATOM 299 CD GLU A 40 9.256 -8.453 -9.240 1.00 0.00 C ATOM 300 OE1 GLU A 40 10.215 -9.433 -9.239 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.775 -7.950 -10.256 1.00 0.00 O ATOM 0 H GLU A 40 11.355 -5.068 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 40 8.842 -5.541 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.774 -7.139 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.718 -7.089 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.850 -8.933 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.824 -7.675 -7.861 1.00 0.00 H new ATOM 302 N LEU A 41 8.803 -4.555 -5.393 1.00 0.00 N ATOM 303 CA LEU A 41 8.024 -3.910 -4.348 1.00 0.00 C ATOM 304 C LEU A 41 7.230 -2.686 -4.789 1.00 0.00 C ATOM 305 O LEU A 41 6.021 -2.611 -4.570 1.00 0.00 O ATOM 306 CB LEU A 41 8.897 -3.450 -3.166 1.00 0.00 C ATOM 307 CG LEU A 41 9.561 -4.596 -2.395 1.00 0.00 C ATOM 308 CD1 LEU A 41 10.773 -3.957 -1.727 1.00 0.00 C ATOM 309 CD2 LEU A 41 8.376 -5.147 -1.618 1.00 0.00 C ATOM 0 H LEU A 41 9.809 -4.524 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 41 7.328 -4.698 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.672 -2.781 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.281 -2.872 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 41 10.011 -5.464 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.310 -4.710 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.434 -3.545 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.443 -3.158 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.701 -5.989 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.969 -4.368 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.607 -5.480 -2.315 1.00 0.00 H new ATOM 310 N ASP A 42 7.972 -1.753 -5.404 1.00 0.00 N ATOM 311 CA ASP A 42 7.434 -0.559 -6.052 1.00 0.00 C ATOM 312 C ASP A 42 6.315 -0.830 -7.088 1.00 0.00 C ATOM 313 O ASP A 42 5.437 0.016 -7.230 1.00 0.00 O ATOM 314 CB ASP A 42 8.648 0.300 -6.425 1.00 0.00 C ATOM 315 CG ASP A 42 8.493 1.818 -6.505 1.00 0.00 C ATOM 316 OD1 ASP A 42 7.305 2.272 -6.012 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.369 2.552 -6.954 1.00 0.00 O ATOM 0 H ASP A 42 8.988 -1.814 -5.463 1.00 0.00 H new ATOM 0 HA ASP A 42 6.817 0.050 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.434 0.089 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.008 -0.044 -7.395 1.00 0.00 H new ATOM 318 N ARG A 43 6.299 -2.022 -7.717 1.00 0.00 N ATOM 319 CA ARG A 43 5.189 -2.527 -8.533 1.00 0.00 C ATOM 320 C ARG A 43 3.883 -2.808 -7.733 1.00 0.00 C ATOM 321 O ARG A 43 2.829 -2.437 -8.257 1.00 0.00 O ATOM 322 CB ARG A 43 5.477 -3.935 -9.119 1.00 0.00 C ATOM 323 CG ARG A 43 6.794 -4.225 -9.778 1.00 0.00 C ATOM 324 CD ARG A 43 7.325 -3.230 -10.765 1.00 0.00 C ATOM 325 NE ARG A 43 6.318 -2.936 -11.782 1.00 0.00 N ATOM 326 CZ ARG A 43 6.602 -2.522 -13.034 1.00 0.00 C ATOM 327 NH1 ARG A 43 7.829 -2.240 -13.470 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.607 -2.396 -13.888 1.00 0.00 N ATOM 0 H ARG A 43 7.082 -2.674 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 43 5.079 -1.733 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.357 -4.653 -8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.697 -4.146 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.540 -4.346 -8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.708 -5.185 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.609 -2.313 -10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.225 -3.622 -11.238 1.00 0.00 H new ATOM 0 HE ARG A 43 5.337 -3.051 -11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.627 -2.333 -12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.970 -1.931 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.654 -2.609 -13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.790 -2.085 -14.842 1.00 0.00 H new ATOM 329 N CYS A 44 3.902 -3.488 -6.532 1.00 0.00 N ATOM 330 CA CYS A 44 2.654 -3.577 -5.736 1.00 0.00 C ATOM 331 C CYS A 44 2.126 -2.203 -5.210 1.00 0.00 C ATOM 332 O CYS A 44 0.987 -2.175 -4.763 1.00 0.00 O ATOM 333 CB CYS A 44 2.827 -4.522 -4.558 1.00 0.00 C ATOM 334 SG CYS A 44 3.312 -6.176 -5.045 1.00 0.00 S ATOM 0 H CYS A 44 4.717 -3.949 -6.128 1.00 0.00 H new ATOM 0 HA CYS A 44 1.907 -3.961 -6.431 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.578 -4.115 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.891 -4.574 -4.002 1.00 0.00 H new ATOM 335 N CYS A 45 2.956 -1.145 -5.263 1.00 0.00 N ATOM 336 CA CYS A 45 2.572 0.252 -5.084 1.00 0.00 C ATOM 337 C CYS A 45 2.241 1.019 -6.396 1.00 0.00 C ATOM 338 O CYS A 45 1.532 2.020 -6.264 1.00 0.00 O ATOM 339 CB CYS A 45 3.593 0.989 -4.226 1.00 0.00 C ATOM 340 SG CYS A 45 5.059 0.034 -3.832 1.00 0.00 S ATOM 0 H CYS A 45 3.955 -1.254 -5.440 1.00 0.00 H new ATOM 0 HA CYS A 45 1.621 0.226 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.896 1.899 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.114 1.296 -3.296 1.00 0.00 H new ATOM 341 N GLU A 46 2.669 0.630 -7.640 1.00 0.00 N ATOM 342 CA GLU A 46 1.971 1.108 -8.877 1.00 0.00 C ATOM 343 C GLU A 46 0.453 0.700 -8.852 1.00 0.00 C ATOM 344 O GLU A 46 -0.391 1.489 -9.261 1.00 0.00 O ATOM 345 CB GLU A 46 2.691 0.470 -10.091 1.00 0.00 C ATOM 346 CG GLU A 46 2.245 0.994 -11.465 1.00 0.00 C ATOM 347 CD GLU A 46 2.557 0.023 -12.599 1.00 0.00 C ATOM 348 OE1 GLU A 46 3.896 -0.238 -12.710 1.00 0.00 O ATOM 349 OE2 GLU A 46 1.694 -0.466 -13.327 1.00 0.00 O ATOM 0 H GLU A 46 3.462 0.011 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 46 2.009 2.195 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.763 0.637 -9.987 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.532 -0.608 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.173 1.188 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.737 1.946 -11.663 1.00 0.00 H new ATOM 350 N THR A 47 0.181 -0.503 -8.333 1.00 0.00 N ATOM 351 CA THR A 47 -1.152 -1.045 -8.049 1.00 0.00 C ATOM 352 C THR A 47 -1.699 -0.730 -6.616 1.00 0.00 C ATOM 353 O THR A 47 -2.908 -0.865 -6.445 1.00 0.00 O ATOM 354 CB THR A 47 -0.948 -2.576 -8.303 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.691 -2.806 -9.691 1.00 0.00 O ATOM 356 CG2 THR A 47 -2.129 -3.465 -7.943 1.00 0.00 C ATOM 0 H THR A 47 0.923 -1.158 -8.087 1.00 0.00 H new ATOM 0 HA THR A 47 -1.922 -0.590 -8.673 1.00 0.00 H new ATOM 0 HB THR A 47 -0.117 -2.842 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.562 -3.765 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.881 -4.504 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.355 -3.358 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.999 -3.170 -8.530 1.00 0.00 H new ATOM 357 N HIS A 48 -0.911 -0.316 -5.603 1.00 0.00 N ATOM 358 CA HIS A 48 -1.483 0.328 -4.368 1.00 0.00 C ATOM 359 C HIS A 48 -1.517 1.876 -4.638 1.00 0.00 C ATOM 360 O HIS A 48 -0.785 2.685 -4.066 1.00 0.00 O ATOM 361 CB HIS A 48 -0.743 -0.095 -3.082 1.00 0.00 C ATOM 362 CG HIS A 48 -1.664 -0.052 -1.855 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.619 0.944 -0.880 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.675 -0.988 -1.565 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.646 0.506 -0.099 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.400 -0.550 -0.499 1.00 0.00 N ATOM 0 H HIS A 48 0.105 -0.406 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.499 -0.015 -4.176 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.348 -1.103 -3.205 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.110 0.564 -2.920 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.005 1.753 -0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.848 -1.908 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.860 0.999 0.838 1.00 0.00 H new ATOM 367 N ASP A 49 -2.414 2.167 -5.582 1.00 0.00 N ATOM 368 CA ASP A 49 -2.556 3.391 -6.371 1.00 0.00 C ATOM 369 C ASP A 49 -3.573 2.907 -7.496 1.00 0.00 C ATOM 370 O ASP A 49 -4.663 3.468 -7.533 1.00 0.00 O ATOM 371 CB ASP A 49 -1.272 3.839 -7.082 1.00 0.00 C ATOM 372 CG ASP A 49 -0.337 4.782 -6.354 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.648 5.440 -5.360 1.00 0.00 O ATOM 374 OD2 ASP A 49 0.900 4.822 -6.945 1.00 0.00 O ATOM 0 H ASP A 49 -3.128 1.485 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.849 4.234 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.706 2.944 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.560 4.315 -8.019 1.00 0.00 H new ATOM 375 N ASN A 50 -3.220 1.903 -8.361 1.00 0.00 N ATOM 376 CA ASN A 50 -4.074 1.442 -9.481 1.00 0.00 C ATOM 377 C ASN A 50 -5.211 0.444 -9.165 1.00 0.00 C ATOM 378 O ASN A 50 -6.230 0.479 -9.859 1.00 0.00 O ATOM 379 CB ASN A 50 -3.304 1.066 -10.765 1.00 0.00 C ATOM 380 CG ASN A 50 -2.509 2.211 -11.416 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.864 3.386 -11.353 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.398 1.900 -12.052 1.00 0.00 N ATOM 0 H ASN A 50 -2.336 1.399 -8.292 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.616 2.365 -9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.615 0.255 -10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.015 0.679 -11.495 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.838 2.632 -12.488 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.098 0.927 -12.108 1.00 0.00 H new ATOM 383 N CYS A 51 -5.058 -0.464 -8.199 1.00 0.00 N ATOM 384 CA CYS A 51 -6.228 -1.008 -7.469 1.00 0.00 C ATOM 385 C CYS A 51 -6.502 -0.282 -6.113 1.00 0.00 C ATOM 386 O CYS A 51 -7.277 -0.844 -5.331 1.00 0.00 O ATOM 387 CB CYS A 51 -6.158 -2.534 -7.348 1.00 0.00 C ATOM 388 SG CYS A 51 -4.951 -3.131 -6.167 1.00 0.00 S ATOM 0 H CYS A 51 -4.158 -0.839 -7.901 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.107 -0.789 -8.075 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.141 -2.909 -7.064 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.928 -2.953 -8.327 1.00 0.00 H new ATOM 389 N TYR A 52 -5.933 0.933 -5.810 1.00 0.00 N ATOM 390 CA TYR A 52 -6.298 1.647 -4.536 1.00 0.00 C ATOM 391 C TYR A 52 -7.502 2.573 -4.786 1.00 0.00 C ATOM 392 O TYR A 52 -8.499 2.523 -4.059 1.00 0.00 O ATOM 393 CB TYR A 52 -5.150 2.429 -3.868 1.00 0.00 C ATOM 394 CG TYR A 52 -5.259 2.817 -2.401 1.00 0.00 C ATOM 395 CD1 TYR A 52 -6.241 2.257 -1.580 1.00 0.00 C ATOM 396 CD2 TYR A 52 -4.187 3.513 -1.804 1.00 0.00 C ATOM 397 CE1 TYR A 52 -6.075 2.253 -0.212 1.00 0.00 C ATOM 398 CE2 TYR A 52 -4.063 3.557 -0.416 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.998 2.892 0.374 1.00 0.00 C ATOM 400 OH TYR A 52 -4.782 2.691 1.689 1.00 0.00 O ATOM 0 H TYR A 52 -5.254 1.418 -6.397 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.552 0.862 -3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.242 1.837 -3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.005 3.347 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.130 1.827 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.459 4.014 -2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.796 1.744 0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.250 4.101 0.042 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.667 1.733 1.859 1.00 0.00 H new ATOM 401 N ARG A 53 -7.371 3.399 -5.829 1.00 0.00 N ATOM 402 CA ARG A 53 -8.448 4.135 -6.448 1.00 0.00 C ATOM 403 C ARG A 53 -9.788 3.414 -6.635 1.00 0.00 C ATOM 404 O ARG A 53 -10.809 4.018 -6.329 1.00 0.00 O ATOM 405 CB ARG A 53 -7.764 4.756 -7.682 1.00 0.00 C ATOM 406 CG ARG A 53 -8.264 4.232 -8.995 1.00 0.00 C ATOM 407 CD ARG A 53 -7.437 3.139 -9.568 1.00 0.00 C ATOM 408 NE ARG A 53 -6.821 3.543 -10.842 1.00 0.00 N ATOM 409 CZ ARG A 53 -5.869 4.475 -11.038 1.00 0.00 C ATOM 410 NH1 ARG A 53 -5.286 5.171 -10.069 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.500 4.719 -12.280 1.00 0.00 N ATOM 0 H ARG A 53 -6.470 3.571 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.866 4.900 -5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.908 5.836 -7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.691 4.575 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.284 3.871 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.306 5.054 -9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.658 2.859 -8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.057 2.256 -9.726 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.155 3.060 -11.676 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.553 5.015 -9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.571 5.862 -10.297 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.933 4.209 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.782 5.418 -12.471 1.00 0.00 H new ATOM 412 N ASP A 54 -9.751 2.190 -7.193 1.00 0.00 N ATOM 413 CA ASP A 54 -10.889 1.629 -7.989 1.00 0.00 C ATOM 414 C ASP A 54 -12.233 1.307 -7.293 1.00 0.00 C ATOM 415 O ASP A 54 -13.186 0.866 -7.922 1.00 0.00 O ATOM 416 CB ASP A 54 -10.345 0.400 -8.725 1.00 0.00 C ATOM 417 CG ASP A 54 -11.055 0.006 -10.012 1.00 0.00 C ATOM 418 OD1 ASP A 54 -10.636 0.753 -11.084 1.00 0.00 O ATOM 419 OD2 ASP A 54 -11.912 -0.875 -10.073 1.00 0.00 O ATOM 0 H ASP A 54 -8.952 1.561 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.206 2.448 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.295 0.579 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.381 -0.449 -8.043 1.00 0.00 H new ATOM 420 N ALA A 55 -12.237 1.575 -5.997 1.00 0.00 N ATOM 421 CA ALA A 55 -13.416 1.962 -5.203 1.00 0.00 C ATOM 422 C ALA A 55 -14.302 3.070 -5.867 1.00 0.00 C ATOM 423 O ALA A 55 -15.526 2.951 -5.892 1.00 0.00 O ATOM 424 CB ALA A 55 -12.822 2.606 -3.925 1.00 0.00 C ATOM 0 H ALA A 55 -11.387 1.530 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.047 1.084 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.631 2.927 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.201 1.877 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.215 3.468 -4.201 1.00 0.00 H new ATOM 425 N LYS A 56 -13.637 4.109 -6.415 1.00 0.00 N ATOM 426 CA LYS A 56 -14.213 5.105 -7.318 1.00 0.00 C ATOM 427 C LYS A 56 -14.999 4.623 -8.545 1.00 0.00 C ATOM 428 O LYS A 56 -15.907 5.311 -9.012 1.00 0.00 O ATOM 429 CB LYS A 56 -13.143 6.174 -7.569 1.00 0.00 C ATOM 430 CG LYS A 56 -12.107 5.788 -8.600 1.00 0.00 C ATOM 431 CD LYS A 56 -10.850 6.598 -8.328 1.00 0.00 C ATOM 432 CE LYS A 56 -10.039 7.011 -9.554 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.597 8.174 -10.269 1.00 0.00 N ATOM 0 H LYS A 56 -12.648 4.276 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.069 5.545 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.633 7.093 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.638 6.394 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.892 4.721 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.478 5.986 -9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.134 7.499 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.204 6.018 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.020 7.241 -9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.980 6.167 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.997 8.398 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.559 7.952 -10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.629 8.993 -9.629 1.00 0.00 H new ATOM 434 N ASN A 57 -14.597 3.446 -9.065 1.00 0.00 N ATOM 435 CA ASN A 57 -15.227 2.770 -10.227 1.00 0.00 C ATOM 436 C ASN A 57 -16.131 1.532 -9.873 1.00 0.00 C ATOM 437 O ASN A 57 -16.973 1.157 -10.689 1.00 0.00 O ATOM 438 CB ASN A 57 -14.003 2.288 -11.060 1.00 0.00 C ATOM 439 CG ASN A 57 -14.272 1.776 -12.468 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.190 2.211 -13.165 1.00 0.00 O ATOM 441 ND2 ASN A 57 -13.444 0.861 -12.937 1.00 0.00 N ATOM 0 H ASN A 57 -13.808 2.924 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.907 3.456 -10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.297 3.116 -11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.507 1.494 -10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.560 0.506 -13.886 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.688 0.509 -12.350 1.00 0.00 H new ATOM 442 N LEU A 58 -15.884 0.945 -8.693 1.00 0.00 N ATOM 443 CA LEU A 58 -16.361 -0.368 -8.196 1.00 0.00 C ATOM 444 C LEU A 58 -17.622 -0.998 -8.751 1.00 0.00 C ATOM 445 O LEU A 58 -18.650 -0.368 -9.012 1.00 0.00 O ATOM 446 CB LEU A 58 -16.142 -0.334 -6.673 1.00 0.00 C ATOM 447 CG LEU A 58 -16.126 -1.531 -5.751 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.191 -2.585 -6.265 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.599 -1.123 -4.358 1.00 0.00 C ATOM 0 H LEU A 58 -15.298 1.409 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.769 -1.158 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.184 0.165 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.912 0.330 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.147 -1.909 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.195 -3.438 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.515 -2.908 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.182 -2.177 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.592 -1.994 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.586 -0.732 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.246 -0.355 -3.935 1.00 0.00 H new ATOM 450 N ASP A 59 -17.460 -2.322 -8.892 1.00 0.00 N ATOM 451 CA ASP A 59 -18.544 -3.277 -9.188 1.00 0.00 C ATOM 452 C ASP A 59 -19.692 -3.220 -8.137 1.00 0.00 C ATOM 453 O ASP A 59 -20.855 -3.458 -8.467 1.00 0.00 O ATOM 454 CB ASP A 59 -17.869 -4.677 -8.978 1.00 0.00 C ATOM 455 CG ASP A 59 -17.046 -5.184 -10.152 1.00 0.00 C ATOM 456 OD1 ASP A 59 -17.535 -5.767 -11.119 1.00 0.00 O ATOM 457 OD2 ASP A 59 -15.710 -4.912 -10.004 1.00 0.00 O ATOM 0 H ASP A 59 -16.549 -2.772 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.962 -3.073 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.225 -4.624 -8.100 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.647 -5.408 -8.758 1.00 0.00 H new ATOM 458 N SER A 60 -19.291 -2.965 -6.884 1.00 0.00 N ATOM 459 CA SER A 60 -20.182 -2.905 -5.741 1.00 0.00 C ATOM 460 C SER A 60 -20.487 -1.439 -5.426 1.00 0.00 C ATOM 461 O SER A 60 -21.576 -1.172 -4.911 1.00 0.00 O ATOM 462 CB SER A 60 -19.367 -3.615 -4.650 1.00 0.00 C ATOM 463 OG SER A 60 -20.202 -4.107 -3.616 1.00 0.00 O ATOM 0 H SER A 60 -18.315 -2.792 -6.643 1.00 0.00 H new ATOM 0 HA SER A 60 -21.157 -3.374 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.808 -4.440 -5.091 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.637 -2.923 -4.231 1.00 0.00 H new ATOM 0 HG SER A 60 -19.989 -5.048 -3.443 1.00 0.00 H new ATOM 464 N CYS A 61 -19.529 -0.501 -5.712 1.00 0.00 N ATOM 465 CA CYS A 61 -19.679 0.891 -5.284 1.00 0.00 C ATOM 466 C CYS A 61 -19.313 1.810 -6.456 1.00 0.00 C ATOM 467 O CYS A 61 -18.163 2.223 -6.623 1.00 0.00 O ATOM 468 CB CYS A 61 -18.817 0.982 -4.018 1.00 0.00 C ATOM 469 SG CYS A 61 -19.282 -0.381 -2.889 1.00 0.00 S ATOM 0 H CYS A 61 -18.670 -0.697 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.687 1.217 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.760 0.915 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.965 1.945 -3.529 1.00 0.00 H new ATOM 470 N LYS A 62 -20.328 2.146 -7.274 1.00 0.00 N ATOM 471 CA LYS A 62 -20.123 2.865 -8.561 1.00 0.00 C ATOM 472 C LYS A 62 -19.587 4.312 -8.434 1.00 0.00 C ATOM 473 O LYS A 62 -18.665 4.645 -9.183 1.00 0.00 O ATOM 474 CB LYS A 62 -21.444 2.787 -9.374 1.00 0.00 C ATOM 475 CG LYS A 62 -21.289 3.169 -10.857 1.00 0.00 C ATOM 476 CD LYS A 62 -22.575 3.021 -11.687 1.00 0.00 C ATOM 477 CE LYS A 62 -23.646 4.078 -11.383 1.00 0.00 C ATOM 478 NZ LYS A 62 -24.820 3.912 -12.258 1.00 0.00 N ATOM 0 H LYS A 62 -21.305 1.933 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.316 2.361 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -21.839 1.773 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -22.181 3.446 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -20.947 4.202 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -20.511 2.548 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -22.319 3.073 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -22.997 2.032 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -23.952 4.000 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -23.226 5.075 -11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -25.528 4.639 -12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -24.529 4.010 -13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -25.233 2.969 -12.110 1.00 0.00 H new ATOM 479 N PHE A 63 -20.104 5.139 -7.504 1.00 0.00 N ATOM 480 CA PHE A 63 -19.645 6.522 -7.317 1.00 0.00 C ATOM 481 C PHE A 63 -18.160 6.704 -6.906 1.00 0.00 C ATOM 482 O PHE A 63 -17.517 5.848 -6.291 1.00 0.00 O ATOM 483 CB PHE A 63 -20.609 7.156 -6.260 1.00 0.00 C ATOM 484 CG PHE A 63 -20.901 8.622 -6.577 1.00 0.00 C ATOM 485 CD1 PHE A 63 -21.792 8.933 -7.611 1.00 0.00 C ATOM 486 CD2 PHE A 63 -20.218 9.660 -5.934 1.00 0.00 C ATOM 487 CE1 PHE A 63 -21.998 10.254 -7.999 1.00 0.00 C ATOM 488 CE2 PHE A 63 -20.423 10.982 -6.323 1.00 0.00 C ATOM 489 CZ PHE A 63 -21.316 11.282 -7.353 1.00 0.00 C ATOM 0 H PHE A 63 -20.850 4.864 -6.865 1.00 0.00 H new ATOM 0 HA PHE A 63 -19.679 7.021 -8.285 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -21.543 6.595 -6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -20.164 7.079 -5.268 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -22.325 8.139 -8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -19.529 9.436 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -22.686 10.481 -8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -19.889 11.778 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 63 -21.478 12.308 -7.648 1.00 0.00 H new ATOM 490 N LEU A 64 -17.686 7.886 -7.268 1.00 0.00 N ATOM 491 CA LEU A 64 -16.345 8.409 -7.059 1.00 0.00 C ATOM 492 C LEU A 64 -15.781 8.499 -5.620 1.00 0.00 C ATOM 493 O LEU A 64 -16.433 8.193 -4.620 1.00 0.00 O ATOM 494 CB LEU A 64 -16.572 9.894 -7.544 1.00 0.00 C ATOM 495 CG LEU A 64 -16.784 10.053 -9.074 1.00 0.00 C ATOM 496 CD1 LEU A 64 -18.233 9.956 -9.559 1.00 0.00 C ATOM 497 CD2 LEU A 64 -16.224 11.431 -9.405 1.00 0.00 C ATOM 0 H LEU A 64 -18.278 8.559 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.626 7.753 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.440 10.302 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.712 10.494 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.288 9.225 -9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -18.264 10.081 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -18.641 8.980 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -18.828 10.738 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.336 11.622 -10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.767 12.190 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -15.168 11.468 -9.138 1.00 0.00 H new ATOM 498 N VAL A 65 -14.539 8.995 -5.606 1.00 0.00 N ATOM 499 CA VAL A 65 -13.937 9.745 -4.498 1.00 0.00 C ATOM 500 C VAL A 65 -13.169 8.868 -3.485 1.00 0.00 C ATOM 501 O VAL A 65 -13.734 7.974 -2.848 1.00 0.00 O ATOM 502 CB VAL A 65 -14.718 10.934 -3.843 1.00 0.00 C ATOM 503 CG1 VAL A 65 -15.307 11.951 -4.841 1.00 0.00 C ATOM 504 CG2 VAL A 65 -15.772 10.598 -2.786 1.00 0.00 C ATOM 0 H VAL A 65 -13.902 8.881 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.203 10.315 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.892 11.395 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.829 12.737 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.502 12.391 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -16.007 11.445 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -16.229 11.518 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.539 9.961 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.300 10.075 -1.955 1.00 0.00 H new ATOM 505 N ASP A 66 -11.878 9.187 -3.353 1.00 0.00 N ATOM 506 CA ASP A 66 -10.991 8.641 -2.296 1.00 0.00 C ATOM 507 C ASP A 66 -10.154 9.883 -1.862 1.00 0.00 C ATOM 508 O ASP A 66 -9.131 10.201 -2.479 1.00 0.00 O ATOM 509 CB ASP A 66 -10.083 7.489 -2.782 1.00 0.00 C ATOM 510 CG ASP A 66 -10.820 6.186 -3.090 1.00 0.00 C ATOM 511 OD1 ASP A 66 -11.335 5.950 -4.181 1.00 0.00 O ATOM 512 OD2 ASP A 66 -10.840 5.327 -2.020 1.00 0.00 O ATOM 0 H ASP A 66 -11.405 9.838 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.561 8.187 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.555 7.813 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.328 7.293 -2.021 1.00 0.00 H new ATOM 513 N ASN A 67 -10.632 10.599 -0.825 1.00 0.00 N ATOM 514 CA ASN A 67 -10.059 11.913 -0.422 1.00 0.00 C ATOM 515 C ASN A 67 -8.686 11.766 0.293 1.00 0.00 C ATOM 516 O ASN A 67 -7.712 12.162 -0.357 1.00 0.00 O ATOM 517 CB ASN A 67 -11.090 12.795 0.320 1.00 0.00 C ATOM 518 CG ASN A 67 -12.240 13.298 -0.568 1.00 0.00 C ATOM 519 OD1 ASN A 67 -13.251 12.619 -0.744 1.00 0.00 O ATOM 520 ND2 ASN A 67 -12.113 14.482 -1.144 1.00 0.00 N ATOM 0 H ASN A 67 -11.415 10.295 -0.246 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.830 12.466 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.508 12.226 1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.575 13.654 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.858 14.841 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.270 15.036 -0.991 1.00 0.00 H new ATOM 521 N PRO A 68 -8.495 11.203 1.522 1.00 0.00 N ATOM 522 CA PRO A 68 -7.128 10.971 2.098 1.00 0.00 C ATOM 523 C PRO A 68 -6.367 9.842 1.354 1.00 0.00 C ATOM 524 O PRO A 68 -5.385 10.139 0.670 1.00 0.00 O ATOM 525 CB PRO A 68 -7.422 10.732 3.598 1.00 0.00 C ATOM 526 CG PRO A 68 -8.852 10.143 3.634 1.00 0.00 C ATOM 527 CD PRO A 68 -9.573 10.838 2.464 1.00 0.00 C ATOM 0 HA PRO A 68 -6.432 11.801 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.700 10.044 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.363 11.661 4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.841 9.060 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.344 10.349 4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.300 10.174 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.118 11.719 2.802 1.00 0.00 H new ATOM 528 N TYR A 69 -6.845 8.591 1.457 1.00 0.00 N ATOM 529 CA TYR A 69 -6.320 7.443 0.696 1.00 0.00 C ATOM 530 C TYR A 69 -7.426 6.348 0.440 1.00 0.00 C ATOM 531 O TYR A 69 -7.336 5.721 -0.620 1.00 0.00 O ATOM 532 CB TYR A 69 -5.082 6.751 1.366 1.00 0.00 C ATOM 533 CG TYR A 69 -3.688 7.369 0.993 1.00 0.00 C ATOM 534 CD1 TYR A 69 -3.046 7.044 -0.220 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.968 8.194 1.889 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.858 7.675 -0.610 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.782 8.831 1.491 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.252 8.595 0.229 1.00 0.00 C ATOM 539 OH TYR A 69 -0.102 9.207 -0.165 1.00 0.00 O ATOM 0 H TYR A 69 -7.616 8.345 2.078 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.995 7.875 -0.251 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.203 6.795 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.080 5.697 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.480 6.292 -0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.336 8.336 2.894 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.414 7.444 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.280 9.506 2.168 1.00 0.00 H new ATOM 0 HH TYR A 69 0.290 8.715 -0.917 1.00 0.00 H new ATOM 540 N THR A 70 -8.428 6.090 1.328 1.00 0.00 N ATOM 541 CA THR A 70 -9.100 4.780 1.360 1.00 0.00 C ATOM 542 C THR A 70 -10.658 4.767 1.335 1.00 0.00 C ATOM 543 O THR A 70 -11.344 5.755 1.068 1.00 0.00 O ATOM 544 CB THR A 70 -8.527 4.223 2.709 1.00 0.00 C ATOM 545 OG1 THR A 70 -8.737 2.814 2.708 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.092 4.820 3.991 1.00 0.00 C ATOM 0 H THR A 70 -8.774 6.762 2.012 1.00 0.00 H new ATOM 0 HA THR A 70 -8.904 4.202 0.457 1.00 0.00 H new ATOM 0 HB THR A 70 -7.476 4.511 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.148 2.396 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.615 4.351 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.899 5.893 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.167 4.644 4.032 1.00 0.00 H new ATOM 547 N GLU A 71 -11.123 3.567 1.705 1.00 0.00 N ATOM 548 CA GLU A 71 -12.474 3.246 2.180 1.00 0.00 C ATOM 549 C GLU A 71 -12.515 2.349 3.514 1.00 0.00 C ATOM 550 O GLU A 71 -13.536 2.388 4.203 1.00 0.00 O ATOM 551 CB GLU A 71 -13.234 2.413 1.106 1.00 0.00 C ATOM 552 CG GLU A 71 -13.481 3.116 -0.231 1.00 0.00 C ATOM 553 CD GLU A 71 -14.407 4.318 -0.199 1.00 0.00 C ATOM 554 OE1 GLU A 71 -15.718 3.958 -0.018 1.00 0.00 O ATOM 555 OE2 GLU A 71 -14.016 5.477 -0.333 1.00 0.00 O ATOM 0 H GLU A 71 -10.526 2.741 1.679 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.926 4.217 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.670 1.500 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.196 2.113 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.519 3.436 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.891 2.387 -0.930 1.00 0.00 H new ATOM 556 N SER A 72 -11.455 1.561 3.819 1.00 0.00 N ATOM 557 CA SER A 72 -11.558 0.364 4.716 1.00 0.00 C ATOM 558 C SER A 72 -10.809 0.300 6.107 1.00 0.00 C ATOM 559 O SER A 72 -10.225 1.279 6.567 1.00 0.00 O ATOM 560 CB SER A 72 -11.046 -0.785 3.774 1.00 0.00 C ATOM 561 OG SER A 72 -9.630 -0.789 3.615 1.00 0.00 O ATOM 0 H SER A 72 -10.514 1.726 3.461 1.00 0.00 H new ATOM 0 HA SER A 72 -12.581 0.332 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.363 -1.746 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.515 -0.681 2.796 1.00 0.00 H new ATOM 0 HG SER A 72 -9.285 -1.691 3.780 1.00 0.00 H new ATOM 562 N TYR A 73 -10.916 -0.911 6.721 1.00 0.00 N ATOM 563 CA TYR A 73 -10.164 -1.462 7.866 1.00 0.00 C ATOM 564 C TYR A 73 -10.929 -1.591 9.204 1.00 0.00 C ATOM 565 O TYR A 73 -11.578 -0.655 9.677 1.00 0.00 O ATOM 566 CB TYR A 73 -8.764 -0.909 8.207 1.00 0.00 C ATOM 567 CG TYR A 73 -7.689 -1.655 7.457 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.273 -2.916 7.890 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.257 -1.187 6.246 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.434 -3.700 7.119 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.392 -1.946 5.478 1.00 0.00 C ATOM 572 CZ TYR A 73 -5.964 -3.200 5.910 1.00 0.00 C ATOM 573 OH TYR A 73 -5.013 -3.884 5.220 1.00 0.00 O ATOM 0 H TYR A 73 -11.602 -1.587 6.387 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.018 -2.436 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -8.717 0.151 7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.588 -0.992 9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.613 -3.286 8.846 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.592 -0.224 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.148 -4.687 7.452 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.044 -1.561 4.531 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.212 -3.327 5.127 1.00 0.00 H new ATOM 574 N SER A 74 -10.705 -2.787 9.800 1.00 0.00 N ATOM 575 CA SER A 74 -11.273 -3.249 11.092 1.00 0.00 C ATOM 576 C SER A 74 -10.609 -4.637 11.349 1.00 0.00 C ATOM 577 O SER A 74 -11.195 -5.678 11.045 1.00 0.00 O ATOM 578 CB SER A 74 -12.784 -3.308 10.816 1.00 0.00 C ATOM 579 OG SER A 74 -13.538 -3.816 11.895 1.00 0.00 O ATOM 0 H SER A 74 -10.097 -3.487 9.376 1.00 0.00 H new ATOM 0 HA SER A 74 -11.099 -2.634 11.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.140 -2.306 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.960 -3.928 9.937 1.00 0.00 H new ATOM 0 HG SER A 74 -13.900 -4.695 11.656 1.00 0.00 H new ATOM 580 N TYR A 75 -9.389 -4.694 11.893 1.00 0.00 N ATOM 581 CA TYR A 75 -8.449 -5.809 11.675 1.00 0.00 C ATOM 582 C TYR A 75 -7.887 -6.257 13.041 1.00 0.00 C ATOM 583 O TYR A 75 -8.618 -6.288 14.039 1.00 0.00 O ATOM 584 CB TYR A 75 -7.436 -5.245 10.628 1.00 0.00 C ATOM 585 CG TYR A 75 -6.579 -4.034 11.070 1.00 0.00 C ATOM 586 CD1 TYR A 75 -7.043 -2.713 11.326 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.290 -4.343 11.412 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.225 -1.792 11.979 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.488 -3.451 12.104 1.00 0.00 C ATOM 590 CZ TYR A 75 -4.948 -2.173 12.395 1.00 0.00 C ATOM 591 OH TYR A 75 -4.199 -1.314 13.138 1.00 0.00 O ATOM 0 H TYR A 75 -9.019 -3.964 12.502 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.867 -6.731 11.271 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.762 -6.051 10.339 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.993 -4.960 9.736 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.035 -2.422 11.012 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.888 -5.307 11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.578 -0.788 12.162 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.499 -3.751 12.419 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.453 -1.800 13.547 1.00 0.00 H new ATOM 592 N SER A 76 -6.596 -6.645 13.083 1.00 0.00 N ATOM 593 CA SER A 76 -5.983 -7.296 14.263 1.00 0.00 C ATOM 594 C SER A 76 -4.385 -7.231 14.220 1.00 0.00 C ATOM 595 O SER A 76 -3.819 -6.138 14.177 1.00 0.00 O ATOM 596 CB SER A 76 -6.503 -8.765 14.167 1.00 0.00 C ATOM 597 OG SER A 76 -7.886 -8.946 14.425 1.00 0.00 O ATOM 0 H SER A 76 -5.950 -6.517 12.304 1.00 0.00 H new ATOM 0 HA SER A 76 -6.250 -6.808 15.201 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.286 -9.143 13.168 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.938 -9.378 14.869 1.00 0.00 H new ATOM 0 HG SER A 76 -8.325 -8.072 14.481 1.00 0.00 H new ATOM 598 N CYS A 77 -3.734 -8.411 14.326 1.00 0.00 N ATOM 599 CA CYS A 77 -2.356 -8.776 14.047 1.00 0.00 C ATOM 600 C CYS A 77 -2.336 -10.284 14.620 1.00 0.00 C ATOM 601 O CYS A 77 -2.746 -10.549 15.758 1.00 0.00 O ATOM 602 CB CYS A 77 -1.235 -7.970 14.608 1.00 0.00 C ATOM 603 SG CYS A 77 -0.853 -6.375 13.864 1.00 0.00 S ATOM 0 H CYS A 77 -4.247 -9.229 14.655 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.145 -8.613 12.990 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.448 -7.799 15.663 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.333 -8.581 14.560 1.00 0.00 H new ATOM 604 N SER A 78 -1.833 -11.202 13.803 1.00 0.00 N ATOM 605 CA SER A 78 -1.869 -12.663 14.088 1.00 0.00 C ATOM 606 C SER A 78 -0.578 -13.313 13.559 1.00 0.00 C ATOM 607 O SER A 78 -0.371 -13.337 12.352 1.00 0.00 O ATOM 608 CB SER A 78 -3.083 -13.304 13.358 1.00 0.00 C ATOM 609 OG SER A 78 -4.319 -12.862 13.907 1.00 0.00 O ATOM 0 H SER A 78 -1.384 -10.971 12.917 1.00 0.00 H new ATOM 0 HA SER A 78 -1.957 -12.820 15.163 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.045 -13.053 12.298 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.020 -14.390 13.431 1.00 0.00 H new ATOM 0 HG SER A 78 -5.061 -13.283 13.424 1.00 0.00 H new ATOM 610 N ASN A 79 0.174 -14.055 14.395 1.00 0.00 N ATOM 611 CA ASN A 79 1.626 -14.373 14.145 1.00 0.00 C ATOM 612 C ASN A 79 2.472 -13.390 13.225 1.00 0.00 C ATOM 613 O ASN A 79 3.119 -13.647 12.200 1.00 0.00 O ATOM 614 CB ASN A 79 1.701 -15.710 13.379 1.00 0.00 C ATOM 615 CG ASN A 79 1.333 -16.998 14.086 1.00 0.00 C ATOM 616 OD1 ASN A 79 1.042 -17.047 15.282 1.00 0.00 O ATOM 617 ND2 ASN A 79 1.353 -18.097 13.353 1.00 0.00 N ATOM 0 H ASN A 79 -0.188 -14.456 15.260 1.00 0.00 H new ATOM 0 HA ASN A 79 2.049 -14.332 15.149 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.056 -15.622 12.505 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.722 -15.819 13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.126 -18.997 13.777 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.595 -18.046 12.364 1.00 0.00 H new ATOM 618 N THR A 80 2.367 -12.218 13.779 1.00 0.00 N ATOM 619 CA THR A 80 2.828 -10.972 13.175 1.00 0.00 C ATOM 620 C THR A 80 2.327 -10.601 11.742 1.00 0.00 C ATOM 621 O THR A 80 2.876 -9.727 11.077 1.00 0.00 O ATOM 622 CB THR A 80 4.228 -10.607 13.678 1.00 0.00 C ATOM 623 OG1 THR A 80 4.368 -9.193 13.767 1.00 0.00 O ATOM 624 CG2 THR A 80 5.370 -11.209 12.872 1.00 0.00 C ATOM 0 H THR A 80 1.945 -12.083 14.698 1.00 0.00 H new ATOM 0 HA THR A 80 2.224 -10.149 13.556 1.00 0.00 H new ATOM 0 HB THR A 80 4.309 -11.054 14.669 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.973 -8.879 13.063 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.322 -10.897 13.301 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.300 -12.296 12.898 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.307 -10.866 11.839 1.00 0.00 H new ATOM 625 N GLU A 81 1.234 -11.263 11.331 1.00 0.00 N ATOM 626 CA GLU A 81 0.424 -10.979 10.129 1.00 0.00 C ATOM 627 C GLU A 81 -0.781 -10.127 10.594 1.00 0.00 C ATOM 628 O GLU A 81 -0.626 -9.330 11.522 1.00 0.00 O ATOM 629 CB GLU A 81 0.020 -12.320 9.428 1.00 0.00 C ATOM 630 CG GLU A 81 1.257 -12.966 8.827 1.00 0.00 C ATOM 631 CD GLU A 81 0.993 -14.227 8.036 1.00 0.00 C ATOM 632 OE1 GLU A 81 0.718 -13.964 6.718 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.025 -15.354 8.530 1.00 0.00 O ATOM 0 H GLU A 81 0.868 -12.057 11.857 1.00 0.00 H new ATOM 0 HA GLU A 81 0.976 -10.417 9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.443 -12.995 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.719 -12.129 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.748 -12.242 8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.956 -13.198 9.631 1.00 0.00 H new ATOM 634 N ILE A 82 -1.926 -10.190 9.889 1.00 0.00 N ATOM 635 CA ILE A 82 -3.145 -9.455 10.271 1.00 0.00 C ATOM 636 C ILE A 82 -4.421 -10.265 9.785 1.00 0.00 C ATOM 637 O ILE A 82 -4.607 -11.405 10.218 1.00 0.00 O ATOM 638 CB ILE A 82 -3.136 -7.922 10.035 1.00 0.00 C ATOM 639 CG1 ILE A 82 -2.258 -7.261 8.976 1.00 0.00 C ATOM 640 CG2 ILE A 82 -3.010 -7.040 11.269 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.756 -7.258 9.240 1.00 0.00 C ATOM 0 H ILE A 82 -2.032 -10.749 9.043 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.189 -9.424 11.360 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.143 -7.959 9.620 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.436 -7.762 8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.585 -6.228 8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.016 -5.992 10.969 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.848 -7.231 11.940 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.076 -7.265 11.783 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.243 -6.761 8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.551 -6.727 10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.399 -8.285 9.323 1.00 0.00 H new ATOM 642 N THR A 83 -5.287 -9.617 8.988 1.00 0.00 N ATOM 643 CA THR A 83 -6.656 -10.096 8.615 1.00 0.00 C ATOM 644 C THR A 83 -7.253 -9.083 7.583 1.00 0.00 C ATOM 645 O THR A 83 -6.924 -9.294 6.421 1.00 0.00 O ATOM 646 CB THR A 83 -7.570 -10.486 9.801 1.00 0.00 C ATOM 647 OG1 THR A 83 -8.777 -11.073 9.314 1.00 0.00 O ATOM 648 CG2 THR A 83 -7.920 -9.339 10.738 1.00 0.00 C ATOM 0 H THR A 83 -5.060 -8.717 8.566 1.00 0.00 H new ATOM 0 HA THR A 83 -6.577 -11.069 8.131 1.00 0.00 H new ATOM 0 HB THR A 83 -6.990 -11.197 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.350 -11.319 10.070 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.563 -9.706 11.538 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.006 -8.928 11.167 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.442 -8.561 10.181 1.00 0.00 H new ATOM 649 N CYS A 84 -8.190 -8.137 7.914 1.00 0.00 N ATOM 650 CA CYS A 84 -8.531 -6.954 7.104 1.00 0.00 C ATOM 651 C CYS A 84 -9.698 -6.140 7.719 1.00 0.00 C ATOM 652 O CYS A 84 -9.553 -4.945 7.961 1.00 0.00 O ATOM 653 CB CYS A 84 -8.660 -7.001 5.588 1.00 0.00 C ATOM 654 SG CYS A 84 -10.327 -6.938 4.945 1.00 0.00 S ATOM 0 H CYS A 84 -8.733 -8.192 8.776 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.562 -6.461 7.183 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.098 -6.167 5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.187 -7.916 5.230 1.00 0.00 H new ATOM 655 N ASN A 85 -10.883 -6.772 7.845 1.00 0.00 N ATOM 656 CA ASN A 85 -12.143 -6.066 8.143 1.00 0.00 C ATOM 657 C ASN A 85 -13.131 -6.944 8.956 1.00 0.00 C ATOM 658 O ASN A 85 -12.912 -8.141 9.176 1.00 0.00 O ATOM 659 CB ASN A 85 -12.717 -5.532 6.799 1.00 0.00 C ATOM 660 CG ASN A 85 -13.531 -6.454 5.890 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.507 -6.017 5.285 1.00 0.00 O ATOM 662 ND2 ASN A 85 -13.170 -7.728 5.767 1.00 0.00 N ATOM 0 H ASN A 85 -10.992 -7.781 7.743 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.960 -5.216 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.345 -4.673 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.876 -5.161 6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.705 -8.354 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.358 -8.079 6.274 1.00 0.00 H new ATOM 663 N SER A 86 -14.245 -6.325 9.373 1.00 0.00 N ATOM 664 CA SER A 86 -15.406 -7.063 9.941 1.00 0.00 C ATOM 665 C SER A 86 -16.721 -6.290 9.648 1.00 0.00 C ATOM 666 O SER A 86 -17.437 -5.876 10.565 1.00 0.00 O ATOM 667 CB SER A 86 -15.201 -7.422 11.431 1.00 0.00 C ATOM 668 OG SER A 86 -15.057 -6.275 12.263 1.00 0.00 O ATOM 0 H SER A 86 -14.376 -5.314 9.332 1.00 0.00 H new ATOM 0 HA SER A 86 -15.490 -8.029 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.050 -8.012 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.315 -8.050 11.530 1.00 0.00 H new ATOM 0 HG SER A 86 -15.785 -5.645 12.081 1.00 0.00 H new ATOM 669 N LYS A 87 -17.030 -6.120 8.345 1.00 0.00 N ATOM 670 CA LYS A 87 -18.194 -5.341 7.874 1.00 0.00 C ATOM 671 C LYS A 87 -18.576 -5.741 6.417 1.00 0.00 C ATOM 672 O LYS A 87 -19.651 -6.316 6.234 1.00 0.00 O ATOM 673 CB LYS A 87 -18.099 -3.835 8.179 1.00 0.00 C ATOM 674 CG LYS A 87 -16.946 -3.040 7.589 1.00 0.00 C ATOM 675 CD LYS A 87 -15.730 -2.794 8.483 1.00 0.00 C ATOM 676 CE LYS A 87 -14.609 -2.012 7.758 1.00 0.00 C ATOM 677 NZ LYS A 87 -14.900 -0.580 7.556 1.00 0.00 N ATOM 0 H LYS A 87 -16.477 -6.521 7.588 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.061 -5.620 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.026 -3.371 7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.059 -3.719 9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.605 -3.557 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.332 -2.071 7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.041 -2.240 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.337 -3.751 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.687 -2.106 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.429 -2.474 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.102 -0.129 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.761 -0.478 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.043 -0.121 8.478 1.00 0.00 H new ATOM 678 N ASN A 88 -17.714 -5.463 5.418 1.00 0.00 N ATOM 679 CA ASN A 88 -17.874 -5.855 4.005 1.00 0.00 C ATOM 680 C ASN A 88 -19.169 -5.563 3.198 1.00 0.00 C ATOM 681 O ASN A 88 -20.273 -6.013 3.514 1.00 0.00 O ATOM 682 CB ASN A 88 -17.394 -7.298 3.652 1.00 0.00 C ATOM 683 CG ASN A 88 -18.112 -8.481 4.287 1.00 0.00 C ATOM 684 OD1 ASN A 88 -17.840 -8.850 5.429 1.00 0.00 O ATOM 685 ND2 ASN A 88 -19.031 -9.111 3.575 1.00 0.00 N ATOM 0 H ASN A 88 -16.854 -4.939 5.581 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.188 -5.083 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.459 -7.413 2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.339 -7.370 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.523 -9.912 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -19.248 -8.796 2.629 1.00 0.00 H new ATOM 686 N ASN A 89 -18.921 -4.912 2.060 1.00 0.00 N ATOM 687 CA ASN A 89 -19.700 -5.133 0.812 1.00 0.00 C ATOM 688 C ASN A 89 -18.498 -5.525 -0.131 1.00 0.00 C ATOM 689 O ASN A 89 -17.810 -6.521 0.133 1.00 0.00 O ATOM 690 CB ASN A 89 -20.542 -3.907 0.421 1.00 0.00 C ATOM 691 CG ASN A 89 -21.742 -3.651 1.338 1.00 0.00 C ATOM 692 OD1 ASN A 89 -22.739 -4.372 1.298 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.677 -2.632 2.178 1.00 0.00 N ATOM 0 H ASN A 89 -18.181 -4.217 1.964 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.492 -5.881 0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -19.902 -3.025 0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -20.901 -4.037 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.459 -2.436 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -20.845 -2.042 2.201 1.00 0.00 H new ATOM 694 N ALA A 90 -18.267 -4.826 -1.244 1.00 0.00 N ATOM 695 CA ALA A 90 -16.895 -4.637 -1.781 1.00 0.00 C ATOM 696 C ALA A 90 -16.363 -3.215 -1.407 1.00 0.00 C ATOM 697 O ALA A 90 -15.178 -3.109 -1.142 1.00 0.00 O ATOM 698 CB ALA A 90 -16.765 -5.012 -3.249 1.00 0.00 C ATOM 0 H ALA A 90 -18.999 -4.380 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.231 -5.351 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.738 -4.850 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -17.026 -6.062 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.437 -4.393 -3.843 1.00 0.00 H new ATOM 699 N CYS A 91 -17.173 -2.131 -1.395 1.00 0.00 N ATOM 700 CA CYS A 91 -16.808 -0.779 -0.840 1.00 0.00 C ATOM 701 C CYS A 91 -15.555 -0.641 0.088 1.00 0.00 C ATOM 702 O CYS A 91 -14.609 0.047 -0.269 1.00 0.00 O ATOM 703 CB CYS A 91 -18.038 -0.368 0.005 1.00 0.00 C ATOM 704 SG CYS A 91 -19.472 0.115 -0.965 1.00 0.00 S ATOM 0 H CYS A 91 -18.119 -2.158 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.543 -0.169 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.315 -1.201 0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.757 0.461 0.655 1.00 0.00 H new ATOM 705 N GLU A 92 -15.581 -1.309 1.246 1.00 0.00 N ATOM 706 CA GLU A 92 -14.438 -1.448 2.156 1.00 0.00 C ATOM 707 C GLU A 92 -13.628 -2.722 1.839 1.00 0.00 C ATOM 708 O GLU A 92 -12.427 -2.593 1.626 1.00 0.00 O ATOM 709 CB GLU A 92 -14.865 -1.447 3.644 1.00 0.00 C ATOM 710 CG GLU A 92 -16.042 -2.364 4.010 1.00 0.00 C ATOM 711 CD GLU A 92 -17.325 -1.644 4.401 1.00 0.00 C ATOM 712 OE1 GLU A 92 -17.359 -0.636 5.107 1.00 0.00 O ATOM 713 OE2 GLU A 92 -18.439 -2.254 3.883 1.00 0.00 O ATOM 0 H GLU A 92 -16.419 -1.780 1.586 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.805 -0.575 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.005 -1.735 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.125 -0.427 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.253 -3.014 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.738 -3.007 4.836 1.00 0.00 H new ATOM 714 N ALA A 93 -14.243 -3.926 1.812 1.00 0.00 N ATOM 715 CA ALA A 93 -13.486 -5.177 1.655 1.00 0.00 C ATOM 716 C ALA A 93 -12.663 -5.369 0.373 1.00 0.00 C ATOM 717 O ALA A 93 -11.641 -6.057 0.435 1.00 0.00 O ATOM 718 CB ALA A 93 -14.354 -6.415 1.817 1.00 0.00 C ATOM 0 H ALA A 93 -15.252 -4.052 1.896 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.768 -5.061 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.742 -7.308 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.800 -6.419 2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.143 -6.407 1.065 1.00 0.00 H new ATOM 719 N PHE A 94 -13.099 -4.796 -0.770 1.00 0.00 N ATOM 720 CA PHE A 94 -12.230 -4.771 -1.994 1.00 0.00 C ATOM 721 C PHE A 94 -10.968 -3.908 -1.762 1.00 0.00 C ATOM 722 O PHE A 94 -9.885 -4.294 -2.208 1.00 0.00 O ATOM 723 CB PHE A 94 -13.090 -4.352 -3.206 1.00 0.00 C ATOM 724 CG PHE A 94 -12.421 -3.933 -4.519 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.675 -2.755 -4.547 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.775 -4.517 -5.744 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.251 -2.185 -5.738 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.346 -3.955 -6.953 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.571 -2.791 -6.943 1.00 0.00 C ATOM 0 H PHE A 94 -14.012 -4.356 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.839 -5.764 -2.214 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.755 -5.185 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.719 -3.522 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.420 -2.273 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.384 -5.409 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.674 -1.272 -5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.613 -4.419 -7.891 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.222 -2.365 -7.872 1.00 0.00 H new ATOM 730 N ILE A 95 -11.135 -2.730 -1.123 1.00 0.00 N ATOM 731 CA ILE A 95 -10.010 -1.801 -0.848 1.00 0.00 C ATOM 732 C ILE A 95 -9.055 -2.451 0.195 1.00 0.00 C ATOM 733 O ILE A 95 -7.850 -2.458 -0.052 1.00 0.00 O ATOM 734 CB ILE A 95 -10.567 -0.393 -0.455 1.00 0.00 C ATOM 735 CG1 ILE A 95 -11.132 0.353 -1.695 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.471 0.536 0.137 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.459 -0.109 -2.287 1.00 0.00 C ATOM 0 H ILE A 95 -12.038 -2.397 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.405 -1.628 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.341 -0.590 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.238 1.404 -1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.382 0.298 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.911 1.500 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.052 0.079 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.681 0.682 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.711 0.514 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.373 -1.148 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.242 -0.024 -1.534 1.00 0.00 H new ATOM 738 N CYS A 96 -9.605 -3.034 1.288 1.00 0.00 N ATOM 739 CA CYS A 96 -8.849 -3.877 2.235 1.00 0.00 C ATOM 740 C CYS A 96 -8.080 -5.066 1.597 1.00 0.00 C ATOM 741 O CYS A 96 -7.011 -5.399 2.108 1.00 0.00 O ATOM 742 CB CYS A 96 -9.785 -4.372 3.363 1.00 0.00 C ATOM 743 SG CYS A 96 -10.268 -6.095 3.152 1.00 0.00 S ATOM 0 H CYS A 96 -10.589 -2.930 1.535 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.069 -3.232 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.285 -4.253 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.678 -3.748 3.389 1.00 0.00 H new ATOM 744 N ASN A 97 -8.606 -5.693 0.513 1.00 0.00 N ATOM 745 CA ASN A 97 -7.857 -6.747 -0.232 1.00 0.00 C ATOM 746 C ASN A 97 -6.603 -6.233 -0.976 1.00 0.00 C ATOM 747 O ASN A 97 -5.592 -6.937 -0.943 1.00 0.00 O ATOM 748 CB ASN A 97 -8.819 -7.449 -1.213 1.00 0.00 C ATOM 749 CG ASN A 97 -8.436 -8.867 -1.639 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.644 -9.565 -1.005 1.00 0.00 O ATOM 751 ND2 ASN A 97 -9.021 -9.339 -2.724 1.00 0.00 N ATOM 0 H ASN A 97 -9.533 -5.493 0.137 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.479 -7.449 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.808 -7.484 -0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.903 -6.834 -2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.818 -10.287 -3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.676 -8.756 -3.245 1.00 0.00 H new ATOM 752 N CYS A 98 -6.645 -5.043 -1.612 1.00 0.00 N ATOM 753 CA CYS A 98 -5.403 -4.389 -2.084 1.00 0.00 C ATOM 754 C CYS A 98 -4.448 -3.970 -0.933 1.00 0.00 C ATOM 755 O CYS A 98 -3.246 -4.149 -1.120 1.00 0.00 O ATOM 756 CB CYS A 98 -5.702 -3.279 -3.107 1.00 0.00 C ATOM 757 SG CYS A 98 -5.889 -4.124 -4.701 1.00 0.00 S ATOM 0 H CYS A 98 -7.502 -4.525 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.830 -5.142 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.609 -2.736 -2.842 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.893 -2.550 -3.142 1.00 0.00 H new ATOM 758 N ASP A 99 -4.932 -3.500 0.241 1.00 0.00 N ATOM 759 CA ASP A 99 -4.065 -3.174 1.403 1.00 0.00 C ATOM 760 C ASP A 99 -3.358 -4.390 2.002 1.00 0.00 C ATOM 761 O ASP A 99 -2.136 -4.394 1.988 1.00 0.00 O ATOM 762 CB ASP A 99 -4.778 -2.383 2.502 1.00 0.00 C ATOM 763 CG ASP A 99 -5.272 -1.023 2.065 1.00 0.00 C ATOM 764 OD1 ASP A 99 -6.309 -0.833 1.437 1.00 0.00 O ATOM 765 OD2 ASP A 99 -4.412 -0.032 2.448 1.00 0.00 O ATOM 0 H ASP A 99 -5.924 -3.337 0.411 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.300 -2.525 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.625 -2.966 2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.097 -2.257 3.343 1.00 0.00 H new ATOM 766 N ARG A 100 -4.079 -5.396 2.496 1.00 0.00 N ATOM 767 CA ARG A 100 -3.471 -6.675 2.893 1.00 0.00 C ATOM 768 C ARG A 100 -2.639 -7.417 1.839 1.00 0.00 C ATOM 769 O ARG A 100 -1.610 -7.940 2.254 1.00 0.00 O ATOM 770 CB ARG A 100 -4.584 -7.619 3.356 1.00 0.00 C ATOM 771 CG ARG A 100 -5.149 -7.271 4.733 1.00 0.00 C ATOM 772 CD ARG A 100 -4.227 -7.618 5.906 1.00 0.00 C ATOM 773 NE ARG A 100 -4.021 -9.077 5.993 1.00 0.00 N ATOM 774 CZ ARG A 100 -2.843 -9.717 6.063 1.00 0.00 C ATOM 775 NH1 ARG A 100 -1.661 -9.115 6.047 1.00 0.00 N ATOM 776 NH2 ARG A 100 -2.861 -11.031 6.156 1.00 0.00 N ATOM 0 H ARG A 100 -5.089 -5.354 2.633 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.759 -6.401 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.393 -7.600 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.199 -8.638 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.367 -6.203 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.096 -7.794 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.267 -7.117 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.660 -7.251 6.836 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.859 -9.658 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.607 -8.099 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.806 -9.668 6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.751 -11.529 6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.985 -11.550 6.211 1.00 0.00 H new ATOM 777 N ASN A 101 -3.001 -7.499 0.540 1.00 0.00 N ATOM 778 CA ASN A 101 -2.033 -8.078 -0.444 1.00 0.00 C ATOM 779 C ASN A 101 -0.818 -7.111 -0.765 1.00 0.00 C ATOM 780 O ASN A 101 0.188 -7.567 -1.309 1.00 0.00 O ATOM 781 CB ASN A 101 -2.743 -8.483 -1.749 1.00 0.00 C ATOM 782 CG ASN A 101 -3.731 -9.652 -1.649 1.00 0.00 C ATOM 783 OD1 ASN A 101 -3.658 -10.507 -0.765 1.00 0.00 O ATOM 784 ND2 ASN A 101 -4.671 -9.727 -2.575 1.00 0.00 N ATOM 0 H ASN A 101 -3.896 -7.196 0.156 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.619 -8.967 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.278 -7.614 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.983 -8.739 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.341 -10.496 -2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.726 -9.016 -3.304 1.00 0.00 H new ATOM 785 N ALA A 102 -0.923 -5.824 -0.388 1.00 0.00 N ATOM 786 CA ALA A 102 0.218 -4.926 -0.209 1.00 0.00 C ATOM 787 C ALA A 102 0.917 -5.123 1.171 1.00 0.00 C ATOM 788 O ALA A 102 2.104 -4.867 1.161 1.00 0.00 O ATOM 789 CB ALA A 102 -0.212 -3.481 -0.464 1.00 0.00 C ATOM 0 H ALA A 102 -1.820 -5.377 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 102 0.978 -5.180 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.642 -2.818 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.586 -3.387 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.999 -3.206 0.238 1.00 0.00 H new ATOM 790 N ALA A 103 0.327 -5.583 2.316 1.00 0.00 N ATOM 791 CA ALA A 103 1.149 -6.037 3.509 1.00 0.00 C ATOM 792 C ALA A 103 2.065 -7.311 3.307 1.00 0.00 C ATOM 793 O ALA A 103 2.946 -7.582 4.109 1.00 0.00 O ATOM 794 CB ALA A 103 0.199 -6.240 4.700 1.00 0.00 C ATOM 0 H ALA A 103 -0.682 -5.653 2.448 1.00 0.00 H new ATOM 0 HA ALA A 103 1.873 -5.241 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.770 -6.567 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.304 -5.300 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.544 -6.997 4.448 1.00 0.00 H new ATOM 795 N ILE A 104 1.750 -8.016 2.242 1.00 0.00 N ATOM 796 CA ILE A 104 2.333 -9.264 1.661 1.00 0.00 C ATOM 797 C ILE A 104 3.408 -9.029 0.587 1.00 0.00 C ATOM 798 O ILE A 104 4.378 -9.762 0.418 1.00 0.00 O ATOM 799 CB ILE A 104 1.032 -9.905 1.042 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.158 -10.699 2.026 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.133 -10.648 -0.302 1.00 0.00 C ATOM 802 CD1 ILE A 104 0.109 -10.193 3.458 1.00 0.00 C ATOM 0 H ILE A 104 0.971 -7.704 1.663 1.00 0.00 H new ATOM 0 HA ILE A 104 2.870 -9.869 2.392 1.00 0.00 H new ATOM 0 HB ILE A 104 0.526 -8.973 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.860 -10.719 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.513 -11.729 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.150 -11.026 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.492 -9.963 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.829 -11.482 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.540 -10.838 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.113 -10.202 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.281 -9.175 3.471 1.00 0.00 H new ATOM 803 N CYS A 105 3.128 -8.067 -0.275 1.00 0.00 N ATOM 804 CA CYS A 105 4.189 -7.476 -1.104 1.00 0.00 C ATOM 805 C CYS A 105 5.186 -6.695 -0.194 1.00 0.00 C ATOM 806 O CYS A 105 6.394 -6.888 -0.270 1.00 0.00 O ATOM 807 CB CYS A 105 3.577 -6.523 -2.112 1.00 0.00 C ATOM 808 SG CYS A 105 2.796 -7.321 -3.503 1.00 0.00 S ATOM 0 H CYS A 105 2.197 -7.678 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 105 4.719 -8.270 -1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.839 -5.901 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.356 -5.856 -2.482 1.00 0.00 H new ATOM 809 N PHE A 106 4.658 -5.881 0.717 1.00 0.00 N ATOM 810 CA PHE A 106 5.486 -4.995 1.548 1.00 0.00 C ATOM 811 C PHE A 106 6.215 -5.675 2.679 1.00 0.00 C ATOM 812 O PHE A 106 7.399 -5.365 2.862 1.00 0.00 O ATOM 813 CB PHE A 106 4.689 -3.772 1.945 1.00 0.00 C ATOM 814 CG PHE A 106 4.258 -2.869 0.753 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.750 -2.920 -0.593 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.191 -2.029 1.032 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.175 -2.116 -1.572 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.662 -1.188 0.066 1.00 0.00 C ATOM 819 CZ PHE A 106 3.144 -1.246 -1.236 1.00 0.00 C ATOM 0 H PHE A 106 3.657 -5.813 0.903 1.00 0.00 H new ATOM 0 HA PHE A 106 6.320 -4.658 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.797 -4.094 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.282 -3.177 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.565 -3.581 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.763 -2.030 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.529 -2.168 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.879 -0.491 0.324 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.713 -0.609 -1.994 1.00 0.00 H new ATOM 820 N SER A 107 5.597 -6.639 3.390 1.00 0.00 N ATOM 821 CA SER A 107 6.432 -7.479 4.286 1.00 0.00 C ATOM 822 C SER A 107 7.479 -8.399 3.620 1.00 0.00 C ATOM 823 O SER A 107 8.499 -8.720 4.238 1.00 0.00 O ATOM 824 CB SER A 107 5.671 -8.256 5.359 1.00 0.00 C ATOM 825 OG SER A 107 4.815 -9.271 4.862 1.00 0.00 O ATOM 0 H SER A 107 4.599 -6.850 3.372 1.00 0.00 H new ATOM 0 HA SER A 107 6.996 -6.685 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.392 -8.709 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.077 -7.554 5.944 1.00 0.00 H new ATOM 0 HG SER A 107 4.005 -8.863 4.491 1.00 0.00 H new ATOM 826 N LYS A 108 7.193 -8.795 2.380 1.00 0.00 N ATOM 827 CA LYS A 108 7.888 -9.882 1.716 1.00 0.00 C ATOM 828 C LYS A 108 8.212 -9.456 0.278 1.00 0.00 C ATOM 829 O LYS A 108 9.226 -8.771 0.147 1.00 0.00 O ATOM 830 CB LYS A 108 7.217 -11.244 1.970 1.00 0.00 C ATOM 831 CG LYS A 108 5.776 -11.305 2.553 1.00 0.00 C ATOM 832 CD LYS A 108 5.116 -12.613 2.097 1.00 0.00 C ATOM 833 CE LYS A 108 3.612 -12.509 1.923 1.00 0.00 C ATOM 834 NZ LYS A 108 2.957 -13.824 1.813 1.00 0.00 N ATOM 0 H LYS A 108 6.466 -8.363 1.809 1.00 0.00 H new ATOM 0 HA LYS A 108 8.867 -10.079 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.206 -11.782 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.864 -11.803 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.806 -11.257 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.194 -10.449 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.562 -12.924 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.335 -13.394 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.190 -11.968 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.394 -11.924 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.932 -13.693 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.337 -14.333 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.139 -14.376 2.676 1.00 0.00 H new ATOM 835 N ALA A 109 7.452 -9.794 -0.814 1.00 0.00 N ATOM 836 CA ALA A 109 8.037 -9.653 -2.212 1.00 0.00 C ATOM 837 C ALA A 109 9.475 -10.313 -2.327 1.00 0.00 C ATOM 838 O ALA A 109 9.764 -11.229 -1.548 1.00 0.00 O ATOM 839 CB ALA A 109 7.859 -8.199 -2.641 1.00 0.00 C ATOM 0 H ALA A 109 6.495 -10.144 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 109 7.501 -10.239 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.269 -8.062 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.798 -7.948 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.383 -7.547 -1.942 1.00 0.00 H new ATOM 840 N PRO A 110 10.382 -9.928 -3.233 1.00 0.00 N ATOM 841 CA PRO A 110 11.835 -10.340 -3.189 1.00 0.00 C ATOM 842 C PRO A 110 12.799 -9.293 -2.456 1.00 0.00 C ATOM 843 O PRO A 110 13.990 -9.211 -2.762 1.00 0.00 O ATOM 844 CB PRO A 110 12.129 -10.238 -4.713 1.00 0.00 C ATOM 845 CG PRO A 110 11.421 -8.931 -5.048 1.00 0.00 C ATOM 846 CD PRO A 110 10.088 -9.054 -4.367 1.00 0.00 C ATOM 0 HA PRO A 110 11.997 -11.282 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.197 -10.197 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.724 -11.083 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.979 -8.070 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.309 -8.803 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.709 -8.085 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.336 -9.487 -5.026 1.00 0.00 H new ATOM 847 N TYR A 111 12.208 -8.600 -1.477 1.00 0.00 N ATOM 848 CA TYR A 111 12.657 -7.286 -0.947 1.00 0.00 C ATOM 849 C TYR A 111 14.174 -7.013 -0.808 1.00 0.00 C ATOM 850 O TYR A 111 14.935 -7.851 -0.309 1.00 0.00 O ATOM 851 CB TYR A 111 12.183 -7.326 0.587 1.00 0.00 C ATOM 852 CG TYR A 111 11.873 -5.970 1.221 1.00 0.00 C ATOM 853 CD1 TYR A 111 12.805 -4.985 1.664 1.00 0.00 C ATOM 854 CD2 TYR A 111 10.542 -5.619 1.114 1.00 0.00 C ATOM 855 CE1 TYR A 111 12.357 -3.681 1.924 1.00 0.00 C ATOM 856 CE2 TYR A 111 10.139 -4.294 1.250 1.00 0.00 C ATOM 857 CZ TYR A 111 11.034 -3.325 1.679 1.00 0.00 C ATOM 858 OH TYR A 111 10.712 -2.003 1.590 1.00 0.00 O ATOM 0 H TYR A 111 11.370 -8.943 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 111 12.269 -6.544 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.293 -7.951 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.961 -7.812 1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.846 -5.241 1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 111 9.803 -6.383 0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.045 -2.947 2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.121 -4.018 1.020 1.00 0.00 H new ATOM 0 HH TYR A 111 9.747 -1.892 1.722 1.00 0.00 H new ATOM 859 N ASN A 112 14.590 -5.837 -1.304 1.00 0.00 N ATOM 860 CA ASN A 112 15.995 -5.393 -1.211 1.00 0.00 C ATOM 861 C ASN A 112 15.912 -3.877 -0.880 1.00 0.00 C ATOM 862 O ASN A 112 15.392 -3.050 -1.633 1.00 0.00 O ATOM 863 CB ASN A 112 16.827 -5.651 -2.482 1.00 0.00 C ATOM 864 CG ASN A 112 16.991 -7.119 -2.883 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.571 -7.920 -2.150 1.00 0.00 O ATOM 866 ND2 ASN A 112 16.493 -7.506 -4.045 1.00 0.00 N ATOM 0 H ASN A 112 13.974 -5.174 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 112 16.521 -5.967 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 112 16.364 -5.117 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 112 17.818 -5.220 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 112 16.587 -8.477 -4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 112 16.014 -6.833 -4.644 1.00 0.00 H new ATOM 867 N LYS A 113 16.492 -3.610 0.288 1.00 0.00 N ATOM 868 CA LYS A 113 16.432 -2.333 1.030 1.00 0.00 C ATOM 869 C LYS A 113 17.625 -1.397 0.888 1.00 0.00 C ATOM 870 O LYS A 113 18.418 -1.120 1.791 1.00 0.00 O ATOM 871 CB LYS A 113 16.054 -2.678 2.466 1.00 0.00 C ATOM 872 CG LYS A 113 16.814 -3.768 3.235 1.00 0.00 C ATOM 873 CD LYS A 113 18.334 -3.772 3.294 1.00 0.00 C ATOM 874 CE LYS A 113 19.044 -4.463 2.118 1.00 0.00 C ATOM 875 NZ LYS A 113 20.476 -4.661 2.399 1.00 0.00 N ATOM 0 H LYS A 113 17.049 -4.311 0.777 1.00 0.00 H new ATOM 0 HA LYS A 113 15.670 -1.703 0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 113 16.133 -1.760 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.002 -2.963 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 113 16.455 -3.742 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.509 -4.726 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.680 -2.740 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 113 18.642 -4.260 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.573 -5.426 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.928 -3.862 1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.928 -5.129 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.928 -3.739 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.585 -5.255 3.246 1.00 0.00 H new ATOM 876 N GLU A 114 17.732 -0.889 -0.338 1.00 0.00 N ATOM 877 CA GLU A 114 19.075 -0.903 -0.969 1.00 0.00 C ATOM 878 C GLU A 114 19.378 0.345 -1.767 1.00 0.00 C ATOM 879 O GLU A 114 20.374 1.033 -1.524 1.00 0.00 O ATOM 880 CB GLU A 114 19.287 -2.359 -1.456 1.00 0.00 C ATOM 881 CG GLU A 114 19.267 -2.562 -2.928 1.00 0.00 C ATOM 882 CD GLU A 114 20.554 -2.390 -3.690 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.344 -3.509 -3.628 1.00 0.00 O ATOM 884 OE2 GLU A 114 20.851 -1.362 -4.297 1.00 0.00 O ATOM 0 H GLU A 114 16.975 -0.488 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 114 19.944 -0.743 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.244 -2.714 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.514 -2.986 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.899 -3.570 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.537 -1.871 -3.349 1.00 0.00 H new ATOM 885 N HIS A 115 18.462 0.650 -2.690 1.00 0.00 N ATOM 886 CA HIS A 115 18.373 1.945 -3.371 1.00 0.00 C ATOM 887 C HIS A 115 17.778 3.025 -2.434 1.00 0.00 C ATOM 888 O HIS A 115 18.438 4.059 -2.388 1.00 0.00 O ATOM 889 CB HIS A 115 17.666 1.811 -4.749 1.00 0.00 C ATOM 890 CG HIS A 115 16.257 1.216 -4.779 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.132 1.838 -4.260 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.121 -0.171 -4.683 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.488 0.732 -3.773 1.00 0.00 C ATOM 894 NE2 HIS A 115 14.953 -0.520 -4.056 1.00 0.00 N ATOM 0 H HIS A 115 17.746 -0.011 -2.991 1.00 0.00 H new ATOM 0 HA HIS A 115 19.377 2.296 -3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.619 2.803 -5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.300 1.200 -5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.845 -0.880 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.606 0.851 -3.161 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.553 -1.437 -3.860 1.00 0.00 H new ATOM 895 N LYS A 116 16.670 2.746 -1.639 1.00 0.00 N ATOM 896 CA LYS A 116 15.737 3.655 -0.932 1.00 0.00 C ATOM 897 C LYS A 116 16.062 5.128 -0.860 1.00 0.00 C ATOM 898 O LYS A 116 17.226 5.533 -0.797 1.00 0.00 O ATOM 899 CB LYS A 116 15.739 3.011 0.508 1.00 0.00 C ATOM 900 CG LYS A 116 14.805 3.828 1.395 1.00 0.00 C ATOM 901 CD LYS A 116 14.425 3.154 2.669 1.00 0.00 C ATOM 902 CE LYS A 116 14.091 4.303 3.635 1.00 0.00 C ATOM 903 NZ LYS A 116 13.714 3.861 4.984 1.00 0.00 N ATOM 0 H LYS A 116 16.403 1.775 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 116 14.792 3.707 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.408 1.973 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.748 3.006 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.284 4.779 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.899 4.058 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.569 2.494 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.241 2.540 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.955 4.964 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.275 4.891 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.727 4.129 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.811 2.828 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.336 4.313 5.684 1.00 0.00 H new ATOM 904 N ASN A 117 14.992 5.930 -0.688 1.00 0.00 N ATOM 905 CA ASN A 117 15.120 7.358 -0.280 1.00 0.00 C ATOM 906 C ASN A 117 15.156 8.303 -1.510 1.00 0.00 C ATOM 907 O ASN A 117 14.543 9.370 -1.481 1.00 0.00 O ATOM 908 CB ASN A 117 16.218 7.536 0.813 1.00 0.00 C ATOM 909 CG ASN A 117 15.858 8.514 1.917 1.00 0.00 C ATOM 910 OD1 ASN A 117 16.010 9.727 1.769 1.00 0.00 O ATOM 911 ND2 ASN A 117 15.367 8.022 3.042 1.00 0.00 N ATOM 0 H ASN A 117 14.029 5.621 -0.823 1.00 0.00 H new ATOM 0 HA ASN A 117 14.218 7.688 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.428 6.564 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.138 7.872 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.108 8.650 3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.247 7.015 3.149 1.00 0.00 H new ATOM 912 N LEU A 118 15.866 7.805 -2.548 1.00 0.00 N ATOM 913 CA LEU A 118 15.850 8.274 -3.963 1.00 0.00 C ATOM 914 C LEU A 118 15.642 9.784 -4.185 1.00 0.00 C ATOM 915 O LEU A 118 16.077 10.616 -3.381 1.00 0.00 O ATOM 916 CB LEU A 118 15.118 7.257 -4.905 1.00 0.00 C ATOM 917 CG LEU A 118 15.918 5.983 -5.172 1.00 0.00 C ATOM 918 CD1 LEU A 118 16.079 5.089 -3.997 1.00 0.00 C ATOM 919 CD2 LEU A 118 15.455 4.969 -6.202 1.00 0.00 C ATOM 0 H LEU A 118 16.504 7.020 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 118 16.880 8.244 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.160 6.988 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.902 7.746 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 118 16.800 6.517 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.660 4.212 -4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.598 5.624 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.098 4.774 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.161 4.139 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.469 4.595 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.402 5.444 -7.182 1.00 0.00 H new ATOM 920 N ASP A 119 15.120 10.129 -5.363 1.00 0.00 N ATOM 921 CA ASP A 119 15.353 11.450 -5.971 1.00 0.00 C ATOM 922 C ASP A 119 14.477 11.766 -7.184 1.00 0.00 C ATOM 923 O ASP A 119 13.916 12.861 -7.284 1.00 0.00 O ATOM 924 CB ASP A 119 16.847 11.529 -6.312 1.00 0.00 C ATOM 925 CG ASP A 119 17.434 12.926 -6.306 1.00 0.00 C ATOM 926 OD1 ASP A 119 17.016 13.848 -7.006 1.00 0.00 O ATOM 927 OD2 ASP A 119 18.483 13.041 -5.430 1.00 0.00 O ATOM 0 H ASP A 119 14.530 9.512 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 119 15.063 12.214 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.399 10.916 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.003 11.090 -7.298 1.00 0.00 H new ATOM 928 N THR A 120 14.355 10.776 -8.059 1.00 0.00 N ATOM 929 CA THR A 120 13.348 10.734 -9.129 1.00 0.00 C ATOM 930 C THR A 120 13.968 11.385 -10.366 1.00 0.00 C ATOM 931 O THR A 120 13.477 12.395 -10.876 1.00 0.00 O ATOM 932 CB THR A 120 11.878 10.999 -8.670 1.00 0.00 C ATOM 933 OG1 THR A 120 11.532 12.378 -8.635 1.00 0.00 O ATOM 934 CG2 THR A 120 11.616 10.353 -7.276 1.00 0.00 C ATOM 0 H THR A 120 14.964 9.958 -8.050 1.00 0.00 H new ATOM 0 HA THR A 120 13.106 9.728 -9.472 1.00 0.00 H new ATOM 0 HB THR A 120 11.241 10.535 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 120 12.230 12.878 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.587 10.548 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 120 11.779 9.277 -7.337 1.00 0.00 H new ATOM 0 HG23 THR A 120 12.298 10.782 -6.542 1.00 0.00 H new ATOM 935 N LYS A 121 15.090 10.768 -10.830 1.00 0.00 N ATOM 936 CA LYS A 121 15.960 11.367 -11.889 1.00 0.00 C ATOM 937 C LYS A 121 16.650 10.169 -12.616 1.00 0.00 C ATOM 938 O LYS A 121 16.302 9.798 -13.738 1.00 0.00 O ATOM 939 CB LYS A 121 16.922 12.411 -11.239 1.00 0.00 C ATOM 940 CG LYS A 121 17.515 11.998 -9.874 1.00 0.00 C ATOM 941 CD LYS A 121 18.905 12.540 -9.550 1.00 0.00 C ATOM 942 CE LYS A 121 19.639 11.599 -8.576 1.00 0.00 C ATOM 943 NZ LYS A 121 20.919 12.166 -8.117 1.00 0.00 N ATOM 0 H LYS A 121 15.414 9.862 -10.492 1.00 0.00 H new ATOM 0 HA LYS A 121 15.416 11.937 -12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.742 12.605 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.382 13.350 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 121 16.830 12.322 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.554 10.909 -9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 121 19.483 12.646 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 121 18.821 13.534 -9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 121 19.001 11.400 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 121 19.821 10.642 -9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 21.379 11.500 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 21.539 12.332 -8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 20.744 13.067 -7.627 1.00 0.00 H new ATOM 944 N LYS A 122 17.538 9.539 -11.855 1.00 0.00 N ATOM 945 CA LYS A 122 17.978 8.153 -11.966 1.00 0.00 C ATOM 946 C LYS A 122 16.776 7.120 -11.773 1.00 0.00 C ATOM 947 O LYS A 122 16.488 6.257 -12.600 1.00 0.00 O ATOM 948 CB LYS A 122 18.847 8.102 -10.629 1.00 0.00 C ATOM 949 CG LYS A 122 20.279 8.422 -10.804 1.00 0.00 C ATOM 950 CD LYS A 122 21.200 8.293 -9.599 1.00 0.00 C ATOM 951 CE LYS A 122 22.353 9.272 -9.829 1.00 0.00 C ATOM 952 NZ LYS A 122 23.430 9.165 -8.830 1.00 0.00 N ATOM 0 H LYS A 122 18.004 10.021 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 122 18.447 7.903 -12.918 1.00 0.00 H new ATOM 0 HB2 LYS A 122 18.419 8.799 -9.909 1.00 0.00 H new ATOM 0 HB3 LYS A 122 18.763 7.105 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 122 20.670 7.778 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.349 9.447 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.668 8.529 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.571 7.273 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 122 22.771 9.100 -10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 122 21.961 10.289 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 24.176 9.856 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 23.046 9.357 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.830 8.205 -8.853 1.00 0.00 H new ATOM 953 N TYR A 123 16.131 7.362 -10.642 1.00 0.00 N ATOM 954 CA TYR A 123 15.054 6.659 -9.959 1.00 0.00 C ATOM 955 C TYR A 123 13.664 6.876 -10.536 1.00 0.00 C ATOM 956 O TYR A 123 12.888 5.921 -10.505 1.00 0.00 O ATOM 957 CB TYR A 123 15.432 7.369 -8.610 1.00 0.00 C ATOM 958 CG TYR A 123 16.852 7.005 -8.001 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.567 5.835 -8.339 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.498 7.968 -7.253 1.00 0.00 C ATOM 961 CE1 TYR A 123 18.892 5.688 -7.962 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.822 7.808 -6.877 1.00 0.00 C ATOM 963 CZ TYR A 123 19.522 6.655 -7.201 1.00 0.00 C ATOM 964 OH TYR A 123 20.851 6.548 -6.912 1.00 0.00 O ATOM 0 H TYR A 123 16.394 8.185 -10.100 1.00 0.00 H new ATOM 0 HA TYR A 123 14.987 5.571 -9.970 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.393 8.447 -8.767 1.00 0.00 H new ATOM 0 HB3 TYR A 123 14.669 7.127 -7.870 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.077 5.049 -8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.964 8.859 -6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.439 4.808 -8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.316 8.593 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 123 21.130 7.314 -6.369 1.00 0.00 H new ATOM 965 N CYS A 124 13.350 8.069 -11.096 1.00 0.00 N ATOM 966 CA CYS A 124 12.047 8.389 -11.722 1.00 0.00 C ATOM 967 C CYS A 124 12.080 9.736 -12.458 1.00 0.00 C ATOM 968 O CYS A 124 12.851 9.965 -13.390 1.00 0.00 O ATOM 969 CB CYS A 124 10.836 8.067 -10.856 1.00 0.00 C ATOM 970 SG CYS A 124 10.175 6.470 -11.304 1.00 0.00 S ATOM 971 OXT CYS A 124 11.171 10.651 -11.983 1.00 0.00 O ATOM 0 H CYS A 124 14.007 8.848 -11.125 1.00 0.00 H new ATOM 0 HA CYS A 124 11.879 7.678 -12.531 1.00 0.00 H new ATOM 0 HB2 CYS A 124 11.120 8.071 -9.804 1.00 0.00 H new ATOM 0 HB3 CYS A 124 10.073 8.835 -10.983 1.00 0.00 H new TER 972 CYS A 124 HETATM 973 CA CA A 125 2.221 6.915 -4.218 1.00 0.00 CA