USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=32 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 -150:sc= 0 USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 60 SER OG : rot -60:sc= 0.423 USER MOD Set 2.2: A 89 ASN : amide:sc= 0.295 K(o=0.72,f=0.11) USER MOD Set 3.1: A 25 TYR OH : rot -69:sc= 1.14 USER MOD Set 3.2: A 111 TYR OH : rot 17:sc= 1.41 USER MOD Set 4.1: A 16 SER OG : rot 180:sc= 0.0027 USER MOD Set 4.2: A 17 HIS :FLIP no HD1:sc= 0.147 F(o=-1.3,f=0.15) USER MOD Set 5.1: A 8 MET CE :methyl 165:sc= -3.39 (180deg=-4.26!) USER MOD Set 5.2: A 73 TYR OH : rot 100:sc= -0.856 USER MOD Single : A 1 ALA N :NH3+ -134:sc=-0.00149 (180deg=-1.83!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -141:sc= -0.458 (180deg=-2.26!) USER MOD Single : A 23 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.61) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 28 TYR OH : rot 139:sc= 0.404 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 48 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.1) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 52 TYR OH : rot 61:sc= 0.229 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.0169 (180deg=-0.232) USER MOD Single : A 57 ASN : amide:sc= 0.0146 X(o=0.015,f=-0.038) 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 15:sc= -0.0408 USER MOD Single : A 70 THR OG1 : rot -65:sc= 0.455 USER MOD Single : A 72 SER OG : rot 53:sc= 0.305 USER MOD Single : A 75 TYR OH : rot 150:sc= -0.351 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 THR OG1 : rot 81:sc= -0.189 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.91 K(o=-0.91,f=-2!) USER MOD Single : A 86 SER OG : rot 53:sc= 0.0272 USER MOD Single : A 88 ASN : amide:sc= -0.48 K(o=-0.48,f=-2.9!) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 74:sc= 0.587 USER MOD Single : A 108 LYS NZ :NH3+ 124:sc= -0.341 (180deg=-1.51!) 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 :FLIP no HD1:sc= -0.942 F(o=-3.5!,f=-0.94) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -56:sc= 0.66 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 -8.423 2.139 3.264 1.00 0.00 N ATOM 2 CA ALA A 1 -7.873 3.185 4.148 1.00 0.00 C ATOM 3 C ALA A 1 -6.397 2.927 4.418 1.00 0.00 C ATOM 4 O ALA A 1 -5.964 1.781 4.479 1.00 0.00 O ATOM 5 CB ALA A 1 -8.608 3.312 5.485 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.991 2.582 2.514 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.643 1.601 2.835 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.023 1.496 3.819 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.011 4.125 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.147 4.100 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.654 3.559 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.547 2.367 6.025 1.00 0.00 H new ATOM 6 N LEU A 2 -5.681 4.037 4.576 1.00 0.00 N ATOM 7 CA LEU A 2 -4.210 4.092 4.671 1.00 0.00 C ATOM 8 C LEU A 2 -3.671 4.081 6.110 1.00 0.00 C ATOM 9 O LEU A 2 -2.831 3.248 6.421 1.00 0.00 O ATOM 10 CB LEU A 2 -3.907 5.354 3.873 1.00 0.00 C ATOM 11 CG LEU A 2 -2.550 5.710 3.331 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.655 6.535 4.239 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.789 4.597 2.676 1.00 0.00 C ATOM 0 H LEU A 2 -6.115 4.957 4.645 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.706 3.209 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.581 5.339 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.210 6.190 4.503 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.850 6.382 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.706 6.727 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.143 7.483 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.473 5.988 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.827 4.971 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.625 3.795 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.360 4.214 1.830 1.00 0.00 H new ATOM 14 N TRP A 3 -4.137 4.982 6.992 1.00 0.00 N ATOM 15 CA TRP A 3 -3.839 4.936 8.453 1.00 0.00 C ATOM 16 C TRP A 3 -4.327 3.642 9.152 1.00 0.00 C ATOM 17 O TRP A 3 -3.600 3.109 9.996 1.00 0.00 O ATOM 18 CB TRP A 3 -4.389 6.196 9.179 1.00 0.00 C ATOM 19 CG TRP A 3 -5.961 6.335 9.247 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.805 5.735 10.218 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.843 6.745 8.247 1.00 0.00 C ATOM 22 NE1 TRP A 3 -8.159 5.777 9.864 1.00 0.00 N ATOM 23 CE2 TRP A 3 -8.157 6.355 8.621 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.594 7.199 6.927 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.197 6.368 7.655 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.646 7.294 6.028 1.00 0.00 C ATOM 27 CH2 TRP A 3 -8.938 6.881 6.389 1.00 0.00 C ATOM 0 H TRP A 3 -4.731 5.766 6.723 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.752 4.928 8.530 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -4.001 6.200 10.198 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.989 7.079 8.681 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.441 5.293 11.134 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.961 5.453 10.405 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.593 7.469 6.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -10.176 5.985 7.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.469 7.690 5.039 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.742 6.963 5.673 1.00 0.00 H new ATOM 28 N GLN A 4 -5.537 3.157 8.793 1.00 0.00 N ATOM 29 CA GLN A 4 -6.009 1.835 9.227 1.00 0.00 C ATOM 30 C GLN A 4 -5.313 0.647 8.477 1.00 0.00 C ATOM 31 O GLN A 4 -5.289 -0.455 9.030 1.00 0.00 O ATOM 32 CB GLN A 4 -7.537 1.709 9.176 1.00 0.00 C ATOM 33 CG GLN A 4 -8.274 2.201 10.432 1.00 0.00 C ATOM 34 CD GLN A 4 -9.793 2.098 10.275 1.00 0.00 C ATOM 35 OE1 GLN A 4 -10.414 2.891 9.567 1.00 0.00 O ATOM 36 NE2 GLN A 4 -10.421 1.130 10.921 1.00 0.00 N ATOM 0 H GLN A 4 -6.198 3.664 8.205 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.710 1.757 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.904 2.269 8.316 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.794 0.663 9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.957 1.613 11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.998 3.236 10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.894 0.480 11.504 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.433 1.033 10.836 1.00 0.00 H new ATOM 37 N PHE A 5 -4.735 0.858 7.266 1.00 0.00 N ATOM 38 CA PHE A 5 -3.716 -0.085 6.697 1.00 0.00 C ATOM 39 C PHE A 5 -2.416 -0.048 7.511 1.00 0.00 C ATOM 40 O PHE A 5 -1.628 -0.957 7.363 1.00 0.00 O ATOM 41 CB PHE A 5 -3.568 0.325 5.219 1.00 0.00 C ATOM 42 CG PHE A 5 -2.318 0.271 4.333 1.00 0.00 C ATOM 43 CD1 PHE A 5 -1.823 -0.906 3.788 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.777 1.453 3.861 1.00 0.00 C ATOM 45 CE1 PHE A 5 -0.908 -0.901 2.726 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.772 1.475 2.894 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.367 0.305 2.297 1.00 0.00 C ATOM 0 H PHE A 5 -4.947 1.656 6.668 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.017 -1.131 6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.315 -0.264 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.895 1.364 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.152 -1.851 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.145 2.389 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.626 -1.826 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.312 2.411 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.364 0.323 1.502 1.00 0.00 H new ATOM 48 N ARG A 6 -2.118 1.039 8.236 1.00 0.00 N ATOM 49 CA ARG A 6 -0.787 1.278 8.826 1.00 0.00 C ATOM 50 C ARG A 6 -0.543 1.137 10.298 1.00 0.00 C ATOM 51 O ARG A 6 0.196 1.914 10.912 1.00 0.00 O ATOM 52 CB ARG A 6 -0.255 2.510 8.128 1.00 0.00 C ATOM 53 CG ARG A 6 0.022 2.100 6.659 1.00 0.00 C ATOM 54 CD ARG A 6 0.294 3.235 5.755 1.00 0.00 C ATOM 55 NE ARG A 6 1.636 3.632 6.085 1.00 0.00 N ATOM 56 CZ ARG A 6 1.911 4.764 6.811 1.00 0.00 C ATOM 57 NH1 ARG A 6 0.994 5.631 7.243 1.00 0.00 N ATOM 58 NH2 ARG A 6 3.161 5.036 7.110 1.00 0.00 N ATOM 0 H ARG A 6 -2.791 1.780 8.432 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.175 0.396 8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.978 3.324 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.656 2.866 8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.874 1.421 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.837 1.546 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.211 2.940 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.413 4.049 5.914 1.00 0.00 H new ATOM 0 HE ARG A 6 2.412 3.051 5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.007 5.474 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.280 6.451 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.906 4.411 6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.386 5.872 7.649 1.00 0.00 H new ATOM 59 N SER A 7 -1.181 0.111 10.841 1.00 0.00 N ATOM 60 CA SER A 7 -0.743 -0.445 12.161 1.00 0.00 C ATOM 61 C SER A 7 -0.074 -1.798 11.938 1.00 0.00 C ATOM 62 O SER A 7 1.129 -1.963 12.034 1.00 0.00 O ATOM 63 CB SER A 7 -1.851 -0.318 13.194 1.00 0.00 C ATOM 64 OG SER A 7 -1.401 -0.692 14.489 1.00 0.00 O ATOM 0 H SER A 7 -1.983 -0.359 10.421 1.00 0.00 H new ATOM 0 HA SER A 7 0.047 0.140 12.632 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.213 0.710 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.693 -0.946 12.905 1.00 0.00 H new ATOM 0 HG SER A 7 -2.136 -0.598 15.131 1.00 0.00 H new ATOM 65 N MET A 8 -0.888 -2.766 11.606 1.00 0.00 N ATOM 66 CA MET A 8 -0.531 -3.858 10.683 1.00 0.00 C ATOM 67 C MET A 8 0.537 -3.679 9.543 1.00 0.00 C ATOM 68 O MET A 8 1.135 -4.703 9.253 1.00 0.00 O ATOM 69 CB MET A 8 -1.947 -4.090 10.129 1.00 0.00 C ATOM 70 CG MET A 8 -2.471 -2.921 9.305 1.00 0.00 C ATOM 71 SD MET A 8 -2.000 -3.445 7.644 1.00 0.00 S ATOM 72 CE MET A 8 -3.649 -3.895 7.335 1.00 0.00 C ATOM 0 H MET A 8 -1.840 -2.836 11.966 1.00 0.00 H new ATOM 0 HA MET A 8 0.013 -4.649 11.199 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.945 -4.989 9.512 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.629 -4.275 10.959 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.548 -2.792 9.408 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.008 -1.975 9.587 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.793 -4.035 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.876 -4.825 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.314 -3.108 7.691 1.00 0.00 H new ATOM 73 N ILE A 9 0.791 -2.507 8.876 1.00 0.00 N ATOM 74 CA ILE A 9 2.031 -2.314 7.996 1.00 0.00 C ATOM 75 C ILE A 9 3.324 -2.274 8.861 1.00 0.00 C ATOM 76 O ILE A 9 4.345 -2.795 8.427 1.00 0.00 O ATOM 77 CB ILE A 9 1.918 -1.147 6.949 1.00 0.00 C ATOM 78 CG1 ILE A 9 0.775 -1.480 5.963 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.199 -0.766 6.142 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.201 -2.158 4.696 1.00 0.00 C ATOM 0 H ILE A 9 0.180 -1.691 8.918 1.00 0.00 H new ATOM 0 HA ILE A 9 2.100 -3.196 7.359 1.00 0.00 H new ATOM 0 HB ILE A 9 1.728 -0.261 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.052 -2.118 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.258 -0.555 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.969 0.053 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.984 -0.455 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.539 -1.629 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.327 -2.348 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.898 -1.517 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.689 -3.103 4.935 1.00 0.00 H new ATOM 81 N LYS A 10 3.258 -1.680 10.052 1.00 0.00 N ATOM 82 CA LYS A 10 4.282 -1.782 11.106 1.00 0.00 C ATOM 83 C LYS A 10 4.142 -3.005 12.076 1.00 0.00 C ATOM 84 O LYS A 10 4.924 -3.085 13.026 1.00 0.00 O ATOM 85 CB LYS A 10 4.399 -0.382 11.704 1.00 0.00 C ATOM 86 CG LYS A 10 3.217 0.238 12.427 1.00 0.00 C ATOM 87 CD LYS A 10 3.062 -0.395 13.808 1.00 0.00 C ATOM 88 CE LYS A 10 2.208 0.417 14.772 1.00 0.00 C ATOM 89 NZ LYS A 10 2.053 -0.278 16.061 1.00 0.00 N ATOM 0 H LYS A 10 2.468 -1.095 10.324 1.00 0.00 H new ATOM 0 HA LYS A 10 5.254 -2.065 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.235 -0.398 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.674 0.294 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.363 1.314 12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.307 0.091 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.621 -1.385 13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.051 -0.535 14.245 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.666 1.393 14.935 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.227 0.595 14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.467 0.298 16.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.594 -1.198 15.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.989 -0.426 16.491 1.00 0.00 H new ATOM 90 N CYS A 11 3.178 -3.939 11.883 1.00 0.00 N ATOM 91 CA CYS A 11 3.200 -5.307 12.478 1.00 0.00 C ATOM 92 C CYS A 11 3.852 -6.280 11.438 1.00 0.00 C ATOM 93 O CYS A 11 4.792 -6.993 11.787 1.00 0.00 O ATOM 94 CB CYS A 11 1.811 -5.693 12.993 1.00 0.00 C ATOM 95 SG CYS A 11 0.925 -6.868 11.981 1.00 0.00 S ATOM 0 H CYS A 11 2.355 -3.767 11.306 1.00 0.00 H new ATOM 0 HA CYS A 11 3.822 -5.361 13.371 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.915 -6.107 13.996 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.210 -4.788 13.082 1.00 0.00 H new ATOM 96 N ALA A 12 3.366 -6.221 10.171 1.00 0.00 N ATOM 97 CA ALA A 12 4.082 -6.635 8.932 1.00 0.00 C ATOM 98 C ALA A 12 5.575 -6.289 8.829 1.00 0.00 C ATOM 99 O ALA A 12 6.322 -7.084 8.255 1.00 0.00 O ATOM 100 CB ALA A 12 3.298 -5.988 7.776 1.00 0.00 C ATOM 0 H ALA A 12 2.428 -5.870 9.975 1.00 0.00 H new ATOM 0 HA ALA A 12 4.103 -7.725 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.767 -6.249 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.271 -6.352 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.300 -4.905 7.896 1.00 0.00 H new ATOM 101 N ILE A 13 6.000 -5.141 9.369 1.00 0.00 N ATOM 102 CA ILE A 13 7.394 -4.745 9.475 1.00 0.00 C ATOM 103 C ILE A 13 7.401 -4.738 11.034 1.00 0.00 C ATOM 104 O ILE A 13 7.063 -3.685 11.582 1.00 0.00 O ATOM 105 CB ILE A 13 7.493 -3.372 8.738 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.269 -3.447 7.204 1.00 0.00 C ATOM 107 CG2 ILE A 13 8.772 -2.608 9.051 1.00 0.00 C ATOM 108 CD1 ILE A 13 7.956 -4.609 6.521 1.00 0.00 C ATOM 0 H ILE A 13 5.359 -4.447 9.753 1.00 0.00 H new ATOM 0 HA ILE A 13 8.223 -5.313 9.052 1.00 0.00 H new ATOM 0 HB ILE A 13 6.656 -2.808 9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.198 -3.510 7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.621 -2.519 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.775 -1.664 8.506 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.824 -2.409 10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.634 -3.203 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.743 -4.580 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.032 -4.539 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.588 -5.546 6.939 1.00 0.00 H new ATOM 109 N PRO A 14 7.757 -5.831 11.800 1.00 0.00 N ATOM 110 CA PRO A 14 7.925 -5.790 13.318 1.00 0.00 C ATOM 111 C PRO A 14 8.763 -4.566 13.734 1.00 0.00 C ATOM 112 O PRO A 14 8.269 -3.678 14.433 1.00 0.00 O ATOM 113 CB PRO A 14 8.483 -7.187 13.658 1.00 0.00 C ATOM 114 CG PRO A 14 8.021 -8.077 12.471 1.00 0.00 C ATOM 115 CD PRO A 14 8.139 -7.140 11.258 1.00 0.00 C ATOM 0 HA PRO A 14 7.013 -5.632 13.894 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.569 -7.172 13.746 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.091 -7.553 14.607 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.652 -8.959 12.361 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.999 -8.431 12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.152 -7.128 10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.478 -7.447 10.447 1.00 0.00 H new ATOM 116 N GLY A 15 9.969 -4.465 13.137 1.00 0.00 N ATOM 117 CA GLY A 15 10.200 -3.298 12.258 1.00 0.00 C ATOM 118 C GLY A 15 10.242 -1.895 12.851 1.00 0.00 C ATOM 119 O GLY A 15 10.696 -1.703 13.983 1.00 0.00 O ATOM 0 H GLY A 15 10.744 -5.121 13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.147 -3.461 11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.419 -3.305 11.497 1.00 0.00 H new ATOM 120 N SER A 16 9.786 -0.917 12.043 1.00 0.00 N ATOM 121 CA SER A 16 9.801 0.517 12.450 1.00 0.00 C ATOM 122 C SER A 16 8.567 1.274 11.884 1.00 0.00 C ATOM 123 O SER A 16 7.444 0.966 12.290 1.00 0.00 O ATOM 124 CB SER A 16 11.203 1.138 12.199 1.00 0.00 C ATOM 125 OG SER A 16 11.591 1.104 10.828 1.00 0.00 O ATOM 0 H SER A 16 9.405 -1.084 11.112 1.00 0.00 H new ATOM 0 HA SER A 16 9.668 0.619 13.527 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.204 2.172 12.545 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.943 0.602 12.793 1.00 0.00 H new ATOM 0 HG SER A 16 12.478 1.508 10.729 1.00 0.00 H new ATOM 126 N HIS A 17 8.760 2.254 10.987 1.00 0.00 N ATOM 127 CA HIS A 17 7.679 3.066 10.352 1.00 0.00 C ATOM 128 C HIS A 17 6.879 2.164 9.335 1.00 0.00 C ATOM 129 O HIS A 17 7.511 1.291 8.733 1.00 0.00 O ATOM 130 CB HIS A 17 8.196 4.367 9.639 1.00 0.00 C ATOM 131 CG HIS A 17 9.582 4.888 9.952 1.00 0.00 C ATOM 132 ND1 HIS A 17 10.664 4.188 9.434 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 9.979 6.045 10.602 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 11.834 4.826 9.716 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 11.337 5.908 10.403 1.00 0.00 N flip ATOM 0 H HIS A 17 9.691 2.520 10.667 1.00 0.00 H new ATOM 0 HA HIS A 17 7.028 3.409 11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.148 4.191 8.564 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.489 5.165 9.863 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.407 6.811 11.105 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.852 4.560 9.472 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.976 6.614 10.768 1.00 0.00 H new ATOM 136 N PRO A 18 5.554 2.316 9.070 1.00 0.00 N ATOM 137 CA PRO A 18 4.832 1.469 8.056 1.00 0.00 C ATOM 138 C PRO A 18 5.326 1.716 6.615 1.00 0.00 C ATOM 139 O PRO A 18 6.194 0.933 6.217 1.00 0.00 O ATOM 140 CB PRO A 18 3.359 1.639 8.384 1.00 0.00 C ATOM 141 CG PRO A 18 3.237 2.655 9.530 1.00 0.00 C ATOM 142 CD PRO A 18 4.649 3.127 9.890 1.00 0.00 C ATOM 0 HA PRO A 18 5.050 0.402 8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.812 1.987 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.921 0.684 8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.618 3.499 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.755 2.199 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.774 4.189 9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.851 2.988 10.952 1.00 0.00 H new ATOM 143 N LEU A 19 4.901 2.720 5.783 1.00 0.00 N ATOM 144 CA LEU A 19 5.906 3.434 4.982 1.00 0.00 C ATOM 145 C LEU A 19 6.603 4.423 5.931 1.00 0.00 C ATOM 146 O LEU A 19 6.543 4.343 7.156 1.00 0.00 O ATOM 147 CB LEU A 19 5.507 3.916 3.598 1.00 0.00 C ATOM 148 CG LEU A 19 4.134 4.377 3.090 1.00 0.00 C ATOM 149 CD1 LEU A 19 3.239 5.532 3.565 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.494 4.917 1.658 1.00 0.00 C ATOM 0 H LEU A 19 3.935 3.025 5.664 1.00 0.00 H new ATOM 0 HA LEU A 19 6.643 2.724 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.175 4.752 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.794 3.106 2.928 1.00 0.00 H new ATOM 0 HG LEU A 19 3.544 3.510 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.329 5.558 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.978 5.383 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.774 6.476 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.591 5.285 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.216 5.729 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.925 4.112 1.063 1.00 0.00 H new ATOM 151 N MET A 20 7.217 5.452 5.431 1.00 0.00 N ATOM 152 CA MET A 20 8.568 5.957 5.798 1.00 0.00 C ATOM 153 C MET A 20 9.731 5.042 6.325 1.00 0.00 C ATOM 154 O MET A 20 10.886 5.455 6.438 1.00 0.00 O ATOM 155 CB MET A 20 8.239 7.031 6.844 1.00 0.00 C ATOM 156 CG MET A 20 7.274 8.117 6.359 1.00 0.00 C ATOM 157 SD MET A 20 6.372 8.848 7.735 1.00 0.00 S ATOM 158 CE MET A 20 5.416 7.378 8.206 1.00 0.00 C ATOM 0 H MET A 20 6.785 6.022 4.704 1.00 0.00 H new ATOM 0 HA MET A 20 9.037 6.230 4.852 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.809 6.546 7.721 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.167 7.504 7.164 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.830 8.893 5.832 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.570 7.689 5.645 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.405 7.675 8.484 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.373 6.687 7.364 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.896 6.888 9.053 1.00 0.00 H new ATOM 159 N ASP A 21 9.361 3.771 6.382 1.00 0.00 N ATOM 160 CA ASP A 21 10.208 2.635 5.938 1.00 0.00 C ATOM 161 C ASP A 21 10.397 2.606 4.386 1.00 0.00 C ATOM 162 O ASP A 21 11.405 2.077 3.911 1.00 0.00 O ATOM 163 CB ASP A 21 9.722 1.322 6.570 1.00 0.00 C ATOM 164 CG ASP A 21 10.615 0.103 6.342 1.00 0.00 C ATOM 165 OD1 ASP A 21 11.632 0.025 7.260 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.435 -0.710 5.437 1.00 0.00 O ATOM 0 H ASP A 21 8.452 3.478 6.741 1.00 0.00 H new ATOM 0 HA ASP A 21 11.222 2.778 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.616 1.475 7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.729 1.099 6.180 1.00 0.00 H new ATOM 167 N PHE A 22 9.450 3.198 3.638 1.00 0.00 N ATOM 168 CA PHE A 22 9.448 3.250 2.189 1.00 0.00 C ATOM 169 C PHE A 22 9.302 4.715 1.630 1.00 0.00 C ATOM 170 O PHE A 22 9.627 4.846 0.455 1.00 0.00 O ATOM 171 CB PHE A 22 8.350 2.317 1.652 1.00 0.00 C ATOM 172 CG PHE A 22 8.365 0.818 2.076 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.989 0.340 3.374 1.00 0.00 C ATOM 174 CD2 PHE A 22 8.632 -0.126 1.085 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.788 -1.027 3.591 1.00 0.00 C ATOM 176 CE2 PHE A 22 8.440 -1.482 1.311 1.00 0.00 C ATOM 177 CZ PHE A 22 8.061 -1.929 2.565 1.00 0.00 C ATOM 0 H PHE A 22 8.643 3.665 4.052 1.00 0.00 H new ATOM 0 HA PHE A 22 10.418 2.903 1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.388 2.734 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.390 2.352 0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.860 1.038 4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.995 0.204 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.425 -1.380 4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.586 -2.189 0.508 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.976 -2.990 2.750 1.00 0.00 H new ATOM 178 N ASN A 23 8.874 5.806 2.359 1.00 0.00 N ATOM 179 CA ASN A 23 8.935 7.261 1.838 1.00 0.00 C ATOM 180 C ASN A 23 10.187 7.630 0.985 1.00 0.00 C ATOM 181 O ASN A 23 10.112 8.236 -0.085 1.00 0.00 O ATOM 182 CB ASN A 23 8.766 8.253 3.024 1.00 0.00 C ATOM 183 CG ASN A 23 8.714 9.757 2.712 1.00 0.00 C ATOM 184 OD1 ASN A 23 8.653 10.205 1.568 1.00 0.00 O ATOM 185 ND2 ASN A 23 8.747 10.583 3.742 1.00 0.00 N ATOM 0 H ASN A 23 8.485 5.727 3.299 1.00 0.00 H new ATOM 0 HA ASN A 23 8.104 7.345 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.848 7.990 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.590 8.085 3.718 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.722 11.591 3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.798 10.213 4.691 1.00 0.00 H new ATOM 186 N ASN A 24 11.288 7.187 1.569 1.00 0.00 N ATOM 187 CA ASN A 24 12.631 7.234 0.978 1.00 0.00 C ATOM 188 C ASN A 24 12.922 5.835 0.367 1.00 0.00 C ATOM 189 O ASN A 24 13.510 4.964 1.014 1.00 0.00 O ATOM 190 CB ASN A 24 13.624 7.608 2.100 1.00 0.00 C ATOM 191 CG ASN A 24 13.724 9.092 2.457 1.00 0.00 C ATOM 192 OD1 ASN A 24 12.845 9.909 2.175 1.00 0.00 O ATOM 193 ND2 ASN A 24 14.800 9.471 3.122 1.00 0.00 N ATOM 0 H ASN A 24 11.280 6.769 2.499 1.00 0.00 H new ATOM 0 HA ASN A 24 12.722 7.977 0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.345 7.059 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.615 7.260 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.908 10.445 3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.524 8.790 3.352 1.00 0.00 H new ATOM 194 N TYR A 25 12.449 5.627 -0.874 1.00 0.00 N ATOM 195 CA TYR A 25 12.566 4.325 -1.598 1.00 0.00 C ATOM 196 C TYR A 25 12.189 4.531 -3.094 1.00 0.00 C ATOM 197 O TYR A 25 12.020 5.663 -3.566 1.00 0.00 O ATOM 198 CB TYR A 25 11.698 3.250 -0.899 1.00 0.00 C ATOM 199 CG TYR A 25 12.153 1.811 -1.003 1.00 0.00 C ATOM 200 CD1 TYR A 25 13.177 1.389 -0.150 1.00 0.00 C ATOM 201 CD2 TYR A 25 11.522 0.874 -1.845 1.00 0.00 C ATOM 202 CE1 TYR A 25 13.602 0.068 -0.139 1.00 0.00 C ATOM 203 CE2 TYR A 25 11.883 -0.469 -1.761 1.00 0.00 C ATOM 204 CZ TYR A 25 12.928 -0.873 -0.911 1.00 0.00 C ATOM 205 OH TYR A 25 13.302 -2.175 -0.859 1.00 0.00 O ATOM 0 H TYR A 25 11.973 6.350 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 25 13.594 3.964 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.631 3.506 0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.689 3.314 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.645 2.103 0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.767 1.193 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.448 -0.227 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.357 -1.204 -2.352 1.00 0.00 H new ATOM 0 HH TYR A 25 14.181 -2.280 -1.280 1.00 0.00 H new ATOM 206 N GLY A 26 12.093 3.421 -3.865 1.00 0.00 N ATOM 207 CA GLY A 26 11.658 3.473 -5.273 1.00 0.00 C ATOM 208 C GLY A 26 10.156 3.884 -5.319 1.00 0.00 C ATOM 209 O GLY A 26 9.268 3.227 -4.779 1.00 0.00 O ATOM 0 H GLY A 26 12.312 2.482 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.263 4.190 -5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.798 2.502 -5.748 1.00 0.00 H new ATOM 210 N CYS A 27 10.039 5.055 -5.923 1.00 0.00 N ATOM 211 CA CYS A 27 8.896 6.006 -5.939 1.00 0.00 C ATOM 212 C CYS A 27 7.611 5.753 -5.143 1.00 0.00 C ATOM 213 O CYS A 27 7.447 6.304 -4.054 1.00 0.00 O ATOM 214 CB CYS A 27 8.630 6.445 -7.378 1.00 0.00 C ATOM 215 SG CYS A 27 7.714 7.957 -7.572 1.00 0.00 S ATOM 0 H CYS A 27 10.814 5.418 -6.478 1.00 0.00 H new ATOM 0 HA CYS A 27 9.273 6.806 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.588 6.555 -7.887 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.089 5.647 -7.887 1.00 0.00 H new ATOM 216 N TYR A 28 6.711 4.943 -5.710 1.00 0.00 N ATOM 217 CA TYR A 28 5.349 4.688 -5.158 1.00 0.00 C ATOM 218 C TYR A 28 5.340 3.862 -3.848 1.00 0.00 C ATOM 219 O TYR A 28 4.430 4.011 -3.032 1.00 0.00 O ATOM 220 CB TYR A 28 4.365 4.081 -6.206 1.00 0.00 C ATOM 221 CG TYR A 28 4.529 4.491 -7.672 1.00 0.00 C ATOM 222 CD1 TYR A 28 4.811 5.822 -7.986 1.00 0.00 C ATOM 223 CD2 TYR A 28 4.773 3.510 -8.642 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.511 6.132 -9.144 1.00 0.00 C ATOM 225 CE2 TYR A 28 5.398 3.842 -9.842 1.00 0.00 C ATOM 226 CZ TYR A 28 5.815 5.150 -10.070 1.00 0.00 C ATOM 227 OH TYR A 28 6.608 5.488 -11.121 1.00 0.00 O ATOM 0 H TYR A 28 6.896 4.434 -6.574 1.00 0.00 H new ATOM 0 HA TYR A 28 4.983 5.682 -4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.449 2.996 -6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.351 4.338 -5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.484 6.612 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.474 2.489 -8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.822 7.151 -9.324 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.559 3.085 -10.595 1.00 0.00 H new ATOM 0 HH TYR A 28 7.252 4.768 -11.290 1.00 0.00 H new ATOM 228 N CYS A 29 6.369 3.007 -3.652 1.00 0.00 N ATOM 229 CA CYS A 29 6.737 2.494 -2.315 1.00 0.00 C ATOM 230 C CYS A 29 7.522 3.692 -1.741 1.00 0.00 C ATOM 231 O CYS A 29 8.655 3.991 -2.126 1.00 0.00 O ATOM 232 CB CYS A 29 7.586 1.242 -2.458 1.00 0.00 C ATOM 233 SG CYS A 29 6.611 -0.109 -3.107 1.00 0.00 S ATOM 0 H CYS A 29 6.960 2.657 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 29 5.906 2.190 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.428 1.441 -3.121 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.001 0.965 -1.489 1.00 0.00 H new ATOM 234 N GLY A 30 6.781 4.462 -0.962 1.00 0.00 N ATOM 235 CA GLY A 30 7.115 5.846 -0.671 1.00 0.00 C ATOM 236 C GLY A 30 5.938 6.705 -1.066 1.00 0.00 C ATOM 237 O GLY A 30 5.339 6.526 -2.135 1.00 0.00 O ATOM 0 H GLY A 30 5.924 4.142 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.338 5.969 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.007 6.146 -1.221 1.00 0.00 H new ATOM 238 N LEU A 31 5.594 7.641 -0.167 1.00 0.00 N ATOM 239 CA LEU A 31 4.262 8.224 -0.151 1.00 0.00 C ATOM 240 C LEU A 31 3.966 9.016 -1.428 1.00 0.00 C ATOM 241 O LEU A 31 4.554 10.037 -1.798 1.00 0.00 O ATOM 242 CB LEU A 31 3.848 8.871 1.187 1.00 0.00 C ATOM 243 CG LEU A 31 4.077 10.372 1.342 1.00 0.00 C ATOM 244 CD1 LEU A 31 3.160 10.974 2.417 1.00 0.00 C ATOM 245 CD2 LEU A 31 5.532 10.747 1.598 1.00 0.00 C ATOM 0 H LEU A 31 6.223 8.002 0.550 1.00 0.00 H new ATOM 0 HA LEU A 31 3.557 7.393 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.787 8.674 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.387 8.364 1.987 1.00 0.00 H new ATOM 0 HG LEU A 31 3.816 10.807 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.351 12.044 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.119 10.811 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.359 10.494 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.617 11.829 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.874 10.270 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.147 10.410 0.763 1.00 0.00 H new ATOM 246 N GLY A 32 3.037 8.369 -2.068 1.00 0.00 N ATOM 247 CA GLY A 32 2.327 8.866 -3.218 1.00 0.00 C ATOM 248 C GLY A 32 2.977 8.535 -4.572 1.00 0.00 C ATOM 249 O GLY A 32 2.953 7.374 -4.992 1.00 0.00 O ATOM 0 H GLY A 32 2.737 7.434 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.316 8.458 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.235 9.949 -3.130 1.00 0.00 H new ATOM 250 N GLY A 33 3.528 9.554 -5.259 1.00 0.00 N ATOM 251 CA GLY A 33 4.255 9.376 -6.541 1.00 0.00 C ATOM 252 C GLY A 33 3.421 9.075 -7.804 1.00 0.00 C ATOM 253 O GLY A 33 2.202 8.891 -7.716 1.00 0.00 O ATOM 0 H GLY A 33 3.485 10.524 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.831 10.282 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.971 8.564 -6.411 1.00 0.00 H new ATOM 254 N SER A 34 4.083 9.026 -8.991 1.00 0.00 N ATOM 255 CA SER A 34 3.377 8.745 -10.277 1.00 0.00 C ATOM 256 C SER A 34 4.254 8.191 -11.440 1.00 0.00 C ATOM 257 O SER A 34 5.403 8.602 -11.625 1.00 0.00 O ATOM 258 CB SER A 34 2.634 10.020 -10.755 1.00 0.00 C ATOM 259 OG SER A 34 3.525 11.081 -11.094 1.00 0.00 O ATOM 0 H SER A 34 5.088 9.174 -9.087 1.00 0.00 H new ATOM 0 HA SER A 34 2.688 7.935 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.021 9.775 -11.622 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.956 10.357 -9.970 1.00 0.00 H new ATOM 0 HG SER A 34 3.009 11.860 -11.390 1.00 0.00 H new ATOM 260 N GLY A 35 3.646 7.267 -12.215 1.00 0.00 N ATOM 261 CA GLY A 35 4.248 6.677 -13.423 1.00 0.00 C ATOM 262 C GLY A 35 4.182 5.134 -13.430 1.00 0.00 C ATOM 263 O GLY A 35 3.115 4.531 -13.292 1.00 0.00 O ATOM 0 H GLY A 35 2.713 6.908 -12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.736 7.062 -14.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.289 6.992 -13.496 1.00 0.00 H new ATOM 264 N THR A 36 5.360 4.542 -13.641 1.00 0.00 N ATOM 265 CA THR A 36 5.608 3.088 -13.609 1.00 0.00 C ATOM 266 C THR A 36 6.982 2.848 -12.851 1.00 0.00 C ATOM 267 O THR A 36 7.859 3.719 -12.847 1.00 0.00 O ATOM 268 CB THR A 36 5.520 2.374 -14.988 1.00 0.00 C ATOM 269 OG1 THR A 36 5.301 3.256 -16.093 1.00 0.00 O ATOM 270 CG2 THR A 36 4.379 1.348 -14.964 1.00 0.00 C ATOM 0 H THR A 36 6.203 5.078 -13.847 1.00 0.00 H new ATOM 0 HA THR A 36 4.794 2.612 -13.062 1.00 0.00 H new ATOM 0 HB THR A 36 6.492 1.903 -15.138 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.259 2.736 -16.923 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.318 0.848 -15.931 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.570 0.610 -14.185 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.437 1.856 -14.759 1.00 0.00 H new ATOM 271 N PRO A 37 7.189 1.700 -12.170 1.00 0.00 N ATOM 272 CA PRO A 37 8.104 1.607 -10.990 1.00 0.00 C ATOM 273 C PRO A 37 9.554 1.175 -11.268 1.00 0.00 C ATOM 274 O PRO A 37 10.062 1.324 -12.383 1.00 0.00 O ATOM 275 CB PRO A 37 7.278 0.523 -10.219 1.00 0.00 C ATOM 276 CG PRO A 37 6.931 -0.494 -11.311 1.00 0.00 C ATOM 277 CD PRO A 37 6.421 0.459 -12.388 1.00 0.00 C ATOM 0 HA PRO A 37 8.309 2.555 -10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.859 0.069 -9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.383 0.947 -9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.797 -1.070 -11.637 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.173 -1.210 -10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.590 0.057 -13.387 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.349 0.632 -12.291 1.00 0.00 H new ATOM 278 N VAL A 38 10.186 0.616 -10.216 1.00 0.00 N ATOM 279 CA VAL A 38 11.545 0.066 -10.253 1.00 0.00 C ATOM 280 C VAL A 38 11.575 -1.446 -9.826 1.00 0.00 C ATOM 281 O VAL A 38 11.975 -2.325 -10.592 1.00 0.00 O ATOM 282 CB VAL A 38 12.579 0.956 -9.470 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.298 2.472 -9.434 1.00 0.00 C ATOM 284 CG2 VAL A 38 12.808 0.668 -7.958 1.00 0.00 C ATOM 0 H VAL A 38 9.750 0.535 -9.298 1.00 0.00 H new ATOM 0 HA VAL A 38 11.872 0.094 -11.292 1.00 0.00 H new ATOM 0 HB VAL A 38 13.433 0.670 -10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.081 2.974 -8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.281 2.863 -10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.333 2.652 -8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.548 1.364 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.869 0.791 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.168 -0.353 -7.833 1.00 0.00 H new ATOM 285 N ASP A 39 11.161 -1.654 -8.575 1.00 0.00 N ATOM 286 CA ASP A 39 11.251 -2.943 -7.852 1.00 0.00 C ATOM 287 C ASP A 39 10.002 -3.786 -8.019 1.00 0.00 C ATOM 288 O ASP A 39 8.941 -3.243 -8.320 1.00 0.00 O ATOM 289 CB ASP A 39 11.640 -2.678 -6.369 1.00 0.00 C ATOM 290 CG ASP A 39 12.362 -3.874 -5.720 1.00 0.00 C ATOM 291 OD1 ASP A 39 13.666 -3.979 -6.133 1.00 0.00 O ATOM 292 OD2 ASP A 39 11.819 -4.664 -4.953 1.00 0.00 O ATOM 0 H ASP A 39 10.740 -0.915 -8.012 1.00 0.00 H new ATOM 0 HA ASP A 39 12.043 -3.548 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.283 -1.800 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.741 -2.448 -5.797 1.00 0.00 H new ATOM 293 N GLU A 40 10.115 -5.114 -7.728 1.00 0.00 N ATOM 294 CA GLU A 40 8.919 -5.916 -7.339 1.00 0.00 C ATOM 295 C GLU A 40 8.015 -5.173 -6.303 1.00 0.00 C ATOM 296 O GLU A 40 6.789 -5.164 -6.410 1.00 0.00 O ATOM 297 CB GLU A 40 9.249 -7.263 -6.675 1.00 0.00 C ATOM 298 CG GLU A 40 8.095 -8.273 -6.737 1.00 0.00 C ATOM 299 CD GLU A 40 6.863 -8.156 -5.855 1.00 0.00 C ATOM 300 OE1 GLU A 40 6.819 -7.536 -4.795 1.00 0.00 O ATOM 301 OE2 GLU A 40 5.797 -8.837 -6.383 1.00 0.00 O ATOM 0 H GLU A 40 10.991 -5.637 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 40 8.417 -6.073 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.125 -7.694 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.515 -7.090 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.742 -8.281 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.528 -9.254 -6.541 1.00 0.00 H new ATOM 302 N LEU A 41 8.690 -4.564 -5.318 1.00 0.00 N ATOM 303 CA LEU A 41 8.061 -3.743 -4.297 1.00 0.00 C ATOM 304 C LEU A 41 7.255 -2.576 -4.834 1.00 0.00 C ATOM 305 O LEU A 41 6.054 -2.473 -4.576 1.00 0.00 O ATOM 306 CB LEU A 41 9.067 -3.278 -3.230 1.00 0.00 C ATOM 307 CG LEU A 41 9.700 -4.454 -2.462 1.00 0.00 C ATOM 308 CD1 LEU A 41 11.005 -3.951 -1.870 1.00 0.00 C ATOM 309 CD2 LEU A 41 8.540 -4.928 -1.609 1.00 0.00 C ATOM 0 H LEU A 41 9.702 -4.635 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 41 7.336 -4.405 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.854 -2.695 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.564 -2.617 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 41 10.060 -5.344 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.487 -4.756 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.664 -3.617 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.802 -3.118 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.857 -5.776 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.212 -4.118 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.715 -5.232 -2.253 1.00 0.00 H new ATOM 310 N ASP A 42 7.950 -1.755 -5.634 1.00 0.00 N ATOM 311 CA ASP A 42 7.335 -0.694 -6.431 1.00 0.00 C ATOM 312 C ASP A 42 6.262 -1.131 -7.460 1.00 0.00 C ATOM 313 O ASP A 42 5.477 -0.279 -7.866 1.00 0.00 O ATOM 314 CB ASP A 42 8.473 0.199 -6.941 1.00 0.00 C ATOM 315 CG ASP A 42 8.093 1.649 -7.231 1.00 0.00 C ATOM 316 OD1 ASP A 42 7.017 2.156 -6.922 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.099 2.327 -7.862 1.00 0.00 O ATOM 0 H ASP A 42 8.962 -1.812 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 42 6.677 -0.098 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.275 0.193 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.876 -0.242 -7.853 1.00 0.00 H new ATOM 318 N ARG A 43 6.169 -2.423 -7.817 1.00 0.00 N ATOM 319 CA ARG A 43 5.041 -2.977 -8.580 1.00 0.00 C ATOM 320 C ARG A 43 3.767 -3.111 -7.696 1.00 0.00 C ATOM 321 O ARG A 43 2.706 -2.710 -8.181 1.00 0.00 O ATOM 322 CB ARG A 43 5.231 -4.431 -9.069 1.00 0.00 C ATOM 323 CG ARG A 43 6.530 -4.824 -9.698 1.00 0.00 C ATOM 324 CD ARG A 43 7.115 -3.953 -10.766 1.00 0.00 C ATOM 325 NE ARG A 43 6.123 -3.723 -11.811 1.00 0.00 N ATOM 326 CZ ARG A 43 6.427 -3.570 -13.120 1.00 0.00 C ATOM 327 NH1 ARG A 43 7.669 -3.504 -13.598 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.439 -3.488 -13.989 1.00 0.00 N ATOM 0 H ARG A 43 6.880 -3.116 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 43 4.964 -2.276 -9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.067 -5.089 -8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.440 -4.641 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.269 -4.908 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.402 -5.821 -10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.435 -3.002 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.001 -4.426 -11.190 1.00 0.00 H new ATOM 0 HE ARG A 43 5.141 -3.675 -11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.464 -3.570 -12.963 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.825 -3.388 -14.599 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.472 -3.540 -13.668 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.641 -3.372 -14.982 1.00 0.00 H new ATOM 329 N CYS A 44 3.836 -3.691 -6.439 1.00 0.00 N ATOM 330 CA CYS A 44 2.650 -3.632 -5.554 1.00 0.00 C ATOM 331 C CYS A 44 2.258 -2.179 -5.138 1.00 0.00 C ATOM 332 O CYS A 44 1.132 -2.014 -4.683 1.00 0.00 O ATOM 333 CB CYS A 44 2.851 -4.499 -4.316 1.00 0.00 C ATOM 334 SG CYS A 44 3.374 -6.171 -4.728 1.00 0.00 S ATOM 0 H CYS A 44 4.651 -4.169 -6.054 1.00 0.00 H new ATOM 0 HA CYS A 44 1.819 -4.025 -6.140 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.597 -4.037 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.920 -4.541 -3.750 1.00 0.00 H new ATOM 335 N CYS A 45 3.162 -1.191 -5.323 1.00 0.00 N ATOM 336 CA CYS A 45 2.878 0.227 -5.214 1.00 0.00 C ATOM 337 C CYS A 45 2.448 0.942 -6.526 1.00 0.00 C ATOM 338 O CYS A 45 1.753 1.947 -6.338 1.00 0.00 O ATOM 339 CB CYS A 45 4.090 0.945 -4.647 1.00 0.00 C ATOM 340 SG CYS A 45 4.658 0.305 -3.092 1.00 0.00 S ATOM 0 H CYS A 45 4.136 -1.382 -5.559 1.00 0.00 H new ATOM 0 HA CYS A 45 2.011 0.281 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.904 0.886 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.848 2.001 -4.525 1.00 0.00 H new ATOM 341 N GLU A 46 2.772 0.557 -7.818 1.00 0.00 N ATOM 342 CA GLU A 46 2.005 1.163 -8.966 1.00 0.00 C ATOM 343 C GLU A 46 0.472 0.837 -8.885 1.00 0.00 C ATOM 344 O GLU A 46 -0.356 1.660 -9.256 1.00 0.00 O ATOM 345 CB GLU A 46 2.595 0.836 -10.356 1.00 0.00 C ATOM 346 CG GLU A 46 2.364 -0.585 -10.883 1.00 0.00 C ATOM 347 CD GLU A 46 2.708 -0.736 -12.353 1.00 0.00 C ATOM 348 OE1 GLU A 46 2.022 -0.273 -13.264 1.00 0.00 O ATOM 349 OE2 GLU A 46 3.851 -1.459 -12.538 1.00 0.00 O ATOM 0 H GLU A 46 3.497 -0.113 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 46 2.118 2.241 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.178 1.539 -11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.669 1.016 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.965 -1.284 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.320 -0.858 -10.730 1.00 0.00 H new ATOM 350 N THR A 47 0.188 -0.363 -8.372 1.00 0.00 N ATOM 351 CA THR A 47 -1.132 -0.865 -7.999 1.00 0.00 C ATOM 352 C THR A 47 -1.579 -0.440 -6.568 1.00 0.00 C ATOM 353 O THR A 47 -2.788 -0.453 -6.355 1.00 0.00 O ATOM 354 CB THR A 47 -0.957 -2.415 -8.144 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.701 -2.758 -9.511 1.00 0.00 O ATOM 356 CG2 THR A 47 -2.166 -3.240 -7.735 1.00 0.00 C ATOM 0 H THR A 47 0.921 -1.050 -8.196 1.00 0.00 H new ATOM 0 HA THR A 47 -1.928 -0.457 -8.622 1.00 0.00 H new ATOM 0 HB THR A 47 -0.131 -2.650 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.592 -3.729 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.947 -4.299 -7.871 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.399 -3.050 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.021 -2.964 -8.353 1.00 0.00 H new ATOM 357 N HIS A 48 -0.722 -0.046 -5.596 1.00 0.00 N ATOM 358 CA HIS A 48 -1.217 0.684 -4.379 1.00 0.00 C ATOM 359 C HIS A 48 -1.252 2.220 -4.708 1.00 0.00 C ATOM 360 O HIS A 48 -0.489 3.046 -4.207 1.00 0.00 O ATOM 361 CB HIS A 48 -0.450 0.314 -3.092 1.00 0.00 C ATOM 362 CG HIS A 48 -1.403 0.314 -1.887 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.474 1.337 -0.949 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.421 -0.634 -1.666 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.544 0.887 -0.245 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.246 -0.183 -0.681 1.00 0.00 N ATOM 0 H HIS A 48 0.285 -0.209 -5.616 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.233 0.365 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.008 -0.669 -3.203 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.359 1.025 -2.925 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.899 2.170 -0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.530 -1.570 -2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.836 1.386 0.667 1.00 0.00 H new ATOM 367 N ASP A 49 -2.198 2.482 -5.612 1.00 0.00 N ATOM 368 CA ASP A 49 -2.384 3.676 -6.430 1.00 0.00 C ATOM 369 C ASP A 49 -3.435 3.166 -7.511 1.00 0.00 C ATOM 370 O ASP A 49 -4.502 3.765 -7.566 1.00 0.00 O ATOM 371 CB ASP A 49 -1.132 4.121 -7.198 1.00 0.00 C ATOM 372 CG ASP A 49 -0.200 5.107 -6.521 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.856 6.205 -6.025 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.015 4.938 -6.448 1.00 0.00 O ATOM 0 H ASP A 49 -2.924 1.792 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.667 4.526 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.555 3.229 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.456 4.560 -8.141 1.00 0.00 H new ATOM 375 N ASN A 50 -3.139 2.111 -8.335 1.00 0.00 N ATOM 376 CA ASN A 50 -4.041 1.641 -9.419 1.00 0.00 C ATOM 377 C ASN A 50 -5.193 0.678 -9.039 1.00 0.00 C ATOM 378 O ASN A 50 -6.290 0.796 -9.590 1.00 0.00 O ATOM 379 CB ASN A 50 -3.322 1.210 -10.715 1.00 0.00 C ATOM 380 CG ASN A 50 -2.522 2.315 -11.424 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.892 3.488 -11.437 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.402 1.971 -12.033 1.00 0.00 N ATOM 0 H ASN A 50 -2.276 1.573 -8.261 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.565 2.572 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.645 0.389 -10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.065 0.820 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.845 2.678 -12.513 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.094 0.999 -12.023 1.00 0.00 H new ATOM 383 N CYS A 51 -4.959 -0.257 -8.124 1.00 0.00 N ATOM 384 CA CYS A 51 -6.050 -0.853 -7.310 1.00 0.00 C ATOM 385 C CYS A 51 -6.507 0.098 -6.158 1.00 0.00 C ATOM 386 O CYS A 51 -7.607 -0.145 -5.655 1.00 0.00 O ATOM 387 CB CYS A 51 -5.510 -2.184 -6.747 1.00 0.00 C ATOM 388 SG CYS A 51 -6.643 -3.181 -5.773 1.00 0.00 S ATOM 0 H CYS A 51 -4.032 -0.628 -7.917 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.933 -1.017 -7.928 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.162 -2.789 -7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.639 -1.962 -6.130 1.00 0.00 H new ATOM 389 N TYR A 52 -5.748 1.175 -5.748 1.00 0.00 N ATOM 390 CA TYR A 52 -6.097 1.887 -4.469 1.00 0.00 C ATOM 391 C TYR A 52 -7.227 2.902 -4.654 1.00 0.00 C ATOM 392 O TYR A 52 -8.171 2.955 -3.860 1.00 0.00 O ATOM 393 CB TYR A 52 -4.870 2.548 -3.803 1.00 0.00 C ATOM 394 CG TYR A 52 -4.904 2.890 -2.313 1.00 0.00 C ATOM 395 CD1 TYR A 52 -5.927 2.401 -1.505 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.863 3.639 -1.705 1.00 0.00 C ATOM 397 CE1 TYR A 52 -5.875 2.552 -0.138 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.849 3.833 -0.317 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.855 3.259 0.458 1.00 0.00 C ATOM 400 OH TYR A 52 -4.807 3.297 1.804 1.00 0.00 O ATOM 0 H TYR A 52 -4.942 1.548 -6.250 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.458 1.112 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.018 1.888 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.665 3.472 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.770 1.898 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.078 4.061 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.645 2.110 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.069 4.419 0.146 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.700 2.388 2.153 1.00 0.00 H new ATOM 401 N ARG A 53 -7.109 3.684 -5.724 1.00 0.00 N ATOM 402 CA ARG A 53 -8.188 4.467 -6.277 1.00 0.00 C ATOM 403 C ARG A 53 -9.506 3.699 -6.531 1.00 0.00 C ATOM 404 O ARG A 53 -10.565 4.259 -6.252 1.00 0.00 O ATOM 405 CB ARG A 53 -7.476 5.160 -7.464 1.00 0.00 C ATOM 406 CG ARG A 53 -8.010 4.767 -8.798 1.00 0.00 C ATOM 407 CD ARG A 53 -7.324 3.621 -9.450 1.00 0.00 C ATOM 408 NE ARG A 53 -6.304 4.128 -10.385 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.471 4.230 -11.721 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.568 3.846 -12.370 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.492 4.750 -12.432 1.00 0.00 N ATOM 0 H ARG A 53 -6.233 3.787 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.628 5.199 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.568 6.240 -7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.412 4.925 -7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.066 4.521 -8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.950 5.629 -9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.859 2.985 -8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.048 3.005 -9.984 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.409 4.423 -9.995 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.351 3.445 -11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.625 3.953 -13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.637 5.062 -11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.588 4.840 -13.443 1.00 0.00 H new ATOM 412 N ASP A 54 -9.399 2.490 -7.124 1.00 0.00 N ATOM 413 CA ASP A 54 -10.472 1.915 -7.999 1.00 0.00 C ATOM 414 C ASP A 54 -11.802 1.419 -7.388 1.00 0.00 C ATOM 415 O ASP A 54 -12.633 0.793 -8.030 1.00 0.00 O ATOM 416 CB ASP A 54 -9.804 0.844 -8.863 1.00 0.00 C ATOM 417 CG ASP A 54 -10.487 0.478 -10.173 1.00 0.00 C ATOM 418 OD1 ASP A 54 -10.227 1.392 -11.164 1.00 0.00 O ATOM 419 OD2 ASP A 54 -11.194 -0.518 -10.318 1.00 0.00 O ATOM 0 H ASP A 54 -8.585 1.885 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.863 2.768 -8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.792 1.178 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.713 -0.063 -8.265 1.00 0.00 H new ATOM 420 N ALA A 55 -11.918 1.753 -6.123 1.00 0.00 N ATOM 421 CA ALA A 55 -13.160 1.933 -5.373 1.00 0.00 C ATOM 422 C ALA A 55 -14.154 2.934 -6.023 1.00 0.00 C ATOM 423 O ALA A 55 -15.350 2.647 -6.101 1.00 0.00 O ATOM 424 CB ALA A 55 -12.704 2.596 -4.055 1.00 0.00 C ATOM 0 H ALA A 55 -11.096 1.920 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.670 0.973 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.571 2.774 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.004 1.938 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.215 3.545 -4.275 1.00 0.00 H new ATOM 425 N LYS A 56 -13.613 4.089 -6.479 1.00 0.00 N ATOM 426 CA LYS A 56 -14.278 5.061 -7.330 1.00 0.00 C ATOM 427 C LYS A 56 -15.145 4.514 -8.487 1.00 0.00 C ATOM 428 O LYS A 56 -16.258 4.965 -8.754 1.00 0.00 O ATOM 429 CB LYS A 56 -13.183 6.116 -7.606 1.00 0.00 C ATOM 430 CG LYS A 56 -12.708 6.139 -9.038 1.00 0.00 C ATOM 431 CD LYS A 56 -11.710 5.065 -9.370 1.00 0.00 C ATOM 432 CE LYS A 56 -10.797 5.227 -10.595 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.146 6.540 -10.773 1.00 0.00 N ATOM 0 H LYS A 56 -12.660 4.365 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.131 5.540 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.567 7.102 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.332 5.922 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.570 6.036 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.262 7.112 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.067 4.937 -8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.263 4.134 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.018 4.467 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.386 5.016 -11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.409 6.466 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.855 7.242 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.715 6.838 -9.875 1.00 0.00 H new ATOM 434 N ASN A 57 -14.518 3.543 -9.147 1.00 0.00 N ATOM 435 CA ASN A 57 -15.007 2.855 -10.347 1.00 0.00 C ATOM 436 C ASN A 57 -15.788 1.581 -9.989 1.00 0.00 C ATOM 437 O ASN A 57 -16.908 1.429 -10.475 1.00 0.00 O ATOM 438 CB ASN A 57 -13.736 2.557 -11.193 1.00 0.00 C ATOM 439 CG ASN A 57 -13.943 1.912 -12.557 1.00 0.00 C ATOM 440 OD1 ASN A 57 -14.951 2.113 -13.236 1.00 0.00 O ATOM 441 ND2 ASN A 57 -12.967 1.150 -13.011 1.00 0.00 N ATOM 0 H ASN A 57 -13.608 3.194 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.716 3.464 -10.907 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.201 3.495 -11.341 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.085 1.908 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.042 0.720 -13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.137 0.990 -12.440 1.00 0.00 H new ATOM 442 N LEU A 58 -15.140 0.710 -9.198 1.00 0.00 N ATOM 443 CA LEU A 58 -15.570 -0.637 -8.791 1.00 0.00 C ATOM 444 C LEU A 58 -16.575 -1.435 -9.603 1.00 0.00 C ATOM 445 O LEU A 58 -17.681 -1.011 -9.946 1.00 0.00 O ATOM 446 CB LEU A 58 -15.684 -0.573 -7.271 1.00 0.00 C ATOM 447 CG LEU A 58 -15.635 -1.761 -6.346 1.00 0.00 C ATOM 448 CD1 LEU A 58 -14.490 -2.660 -6.680 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.427 -1.271 -4.901 1.00 0.00 C ATOM 0 H LEU A 58 -14.233 0.948 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.821 -1.365 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.889 0.096 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.630 -0.072 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.573 -2.306 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.481 -3.508 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.597 -3.021 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.555 -2.108 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.391 -2.128 -4.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.490 -0.718 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.253 -0.620 -4.615 1.00 0.00 H new ATOM 450 N ASP A 59 -16.148 -2.690 -9.803 1.00 0.00 N ATOM 451 CA ASP A 59 -17.025 -3.808 -10.225 1.00 0.00 C ATOM 452 C ASP A 59 -18.341 -3.945 -9.377 1.00 0.00 C ATOM 453 O ASP A 59 -19.386 -4.364 -9.876 1.00 0.00 O ATOM 454 CB ASP A 59 -16.200 -5.093 -9.849 1.00 0.00 C ATOM 455 CG ASP A 59 -15.089 -5.467 -10.813 1.00 0.00 C ATOM 456 OD1 ASP A 59 -15.558 -6.152 -11.905 1.00 0.00 O ATOM 457 OD2 ASP A 59 -13.906 -5.181 -10.626 1.00 0.00 O ATOM 0 H ASP A 59 -15.175 -2.967 -9.677 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.299 -3.661 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.764 -4.946 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.888 -5.935 -9.772 1.00 0.00 H new ATOM 458 N SER A 60 -18.171 -3.625 -8.094 1.00 0.00 N ATOM 459 CA SER A 60 -19.155 -3.795 -7.043 1.00 0.00 C ATOM 460 C SER A 60 -19.735 -2.460 -6.536 1.00 0.00 C ATOM 461 O SER A 60 -20.825 -2.497 -5.960 1.00 0.00 O ATOM 462 CB SER A 60 -18.353 -4.534 -5.944 1.00 0.00 C ATOM 463 OG SER A 60 -19.161 -5.507 -5.306 1.00 0.00 O ATOM 0 H SER A 60 -17.299 -3.222 -7.751 1.00 0.00 H new ATOM 0 HA SER A 60 -20.037 -4.339 -7.380 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.478 -5.012 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.988 -3.817 -5.208 1.00 0.00 H new ATOM 0 HG SER A 60 -19.933 -5.070 -4.891 1.00 0.00 H new ATOM 464 N CYS A 61 -19.019 -1.307 -6.714 1.00 0.00 N ATOM 465 CA CYS A 61 -19.444 -0.037 -6.053 1.00 0.00 C ATOM 466 C CYS A 61 -19.066 1.259 -6.826 1.00 0.00 C ATOM 467 O CYS A 61 -18.439 1.233 -7.888 1.00 0.00 O ATOM 468 CB CYS A 61 -18.819 -0.049 -4.635 1.00 0.00 C ATOM 469 SG CYS A 61 -19.969 0.425 -3.342 1.00 0.00 S ATOM 0 H CYS A 61 -18.178 -1.232 -7.287 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.533 -0.008 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -18.438 -1.048 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.965 0.628 -4.617 1.00 0.00 H new ATOM 470 N LYS A 62 -19.484 2.401 -6.251 1.00 0.00 N ATOM 471 CA LYS A 62 -19.065 3.755 -6.701 1.00 0.00 C ATOM 472 C LYS A 62 -18.872 4.575 -5.393 1.00 0.00 C ATOM 473 O LYS A 62 -19.798 5.245 -4.923 1.00 0.00 O ATOM 474 CB LYS A 62 -20.120 4.332 -7.672 1.00 0.00 C ATOM 475 CG LYS A 62 -19.706 5.665 -8.321 1.00 0.00 C ATOM 476 CD LYS A 62 -20.789 6.202 -9.274 1.00 0.00 C ATOM 477 CE LYS A 62 -20.365 7.526 -9.929 1.00 0.00 C ATOM 478 NZ LYS A 62 -21.406 8.033 -10.841 1.00 0.00 N ATOM 0 H LYS A 62 -20.125 2.418 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 62 -18.136 3.766 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -20.315 3.602 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -21.056 4.477 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.510 6.402 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.775 5.527 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -20.992 5.462 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.718 6.350 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.164 8.268 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -19.436 7.380 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -21.089 8.927 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.580 7.335 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.285 8.195 -10.309 1.00 0.00 H new ATOM 479 N PHE A 63 -17.658 4.505 -4.814 1.00 0.00 N ATOM 480 CA PHE A 63 -17.376 5.029 -3.466 1.00 0.00 C ATOM 481 C PHE A 63 -17.334 6.569 -3.277 1.00 0.00 C ATOM 482 O PHE A 63 -17.150 7.362 -4.203 1.00 0.00 O ATOM 483 CB PHE A 63 -16.037 4.335 -3.044 1.00 0.00 C ATOM 484 CG PHE A 63 -16.012 3.975 -1.561 1.00 0.00 C ATOM 485 CD1 PHE A 63 -16.750 2.884 -1.087 1.00 0.00 C ATOM 486 CD2 PHE A 63 -15.316 4.767 -0.649 1.00 0.00 C ATOM 487 CE1 PHE A 63 -16.791 2.597 0.276 1.00 0.00 C ATOM 488 CE2 PHE A 63 -15.350 4.476 0.713 1.00 0.00 C ATOM 489 CZ PHE A 63 -16.082 3.386 1.178 1.00 0.00 C ATOM 0 H PHE A 63 -16.847 4.084 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 63 -18.224 4.792 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -15.896 3.431 -3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -15.201 4.997 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -17.292 2.260 -1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -14.745 5.614 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -17.374 1.761 0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -14.807 5.097 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 63 -16.100 3.154 2.233 1.00 0.00 H new ATOM 490 N LEU A 64 -17.507 6.917 -2.005 1.00 0.00 N ATOM 491 CA LEU A 64 -17.548 8.259 -1.429 1.00 0.00 C ATOM 492 C LEU A 64 -16.472 9.335 -1.691 1.00 0.00 C ATOM 493 O LEU A 64 -16.823 10.501 -1.886 1.00 0.00 O ATOM 494 CB LEU A 64 -17.416 7.925 0.107 1.00 0.00 C ATOM 495 CG LEU A 64 -18.731 7.474 0.786 1.00 0.00 C ATOM 496 CD1 LEU A 64 -19.309 6.116 0.373 1.00 0.00 C ATOM 497 CD2 LEU A 64 -18.379 7.441 2.269 1.00 0.00 C ATOM 0 H LEU A 64 -17.633 6.204 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.425 8.729 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -16.671 7.139 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -17.039 8.807 0.626 1.00 0.00 H new ATOM 0 HG LEU A 64 -19.520 8.165 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -20.229 5.929 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -19.523 6.122 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -18.586 5.331 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -19.252 7.130 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.566 6.735 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.068 8.435 2.591 1.00 0.00 H new ATOM 498 N VAL A 65 -15.191 8.958 -1.541 1.00 0.00 N ATOM 499 CA VAL A 65 -14.198 9.840 -0.895 1.00 0.00 C ATOM 500 C VAL A 65 -13.642 10.990 -1.749 1.00 0.00 C ATOM 501 O VAL A 65 -14.352 11.971 -1.988 1.00 0.00 O ATOM 502 CB VAL A 65 -13.213 9.004 0.004 1.00 0.00 C ATOM 503 CG1 VAL A 65 -13.888 8.455 1.286 1.00 0.00 C ATOM 504 CG2 VAL A 65 -12.500 7.847 -0.707 1.00 0.00 C ATOM 0 H VAL A 65 -14.820 8.061 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.727 10.478 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.453 9.740 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.160 7.887 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.261 9.286 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.719 7.805 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.845 7.335 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.240 7.145 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.907 8.238 -1.534 1.00 0.00 H new ATOM 505 N ASP A 66 -12.375 10.905 -2.134 1.00 0.00 N ATOM 506 CA ASP A 66 -11.602 12.058 -2.654 1.00 0.00 C ATOM 507 C ASP A 66 -10.411 11.594 -3.543 1.00 0.00 C ATOM 508 O ASP A 66 -10.240 12.086 -4.661 1.00 0.00 O ATOM 509 CB ASP A 66 -10.990 12.890 -1.465 1.00 0.00 C ATOM 510 CG ASP A 66 -11.968 13.812 -0.753 1.00 0.00 C ATOM 511 OD1 ASP A 66 -12.305 14.910 -1.193 1.00 0.00 O ATOM 512 OD2 ASP A 66 -12.426 13.275 0.423 1.00 0.00 O ATOM 0 H ASP A 66 -11.840 10.037 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.296 12.659 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.571 12.197 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.164 13.488 -1.848 1.00 0.00 H new ATOM 513 N ASN A 67 -9.581 10.717 -2.965 1.00 0.00 N ATOM 514 CA ASN A 67 -8.252 10.361 -3.500 1.00 0.00 C ATOM 515 C ASN A 67 -7.937 8.856 -3.240 1.00 0.00 C ATOM 516 O ASN A 67 -8.645 8.215 -2.450 1.00 0.00 O ATOM 517 CB ASN A 67 -7.187 11.247 -2.768 1.00 0.00 C ATOM 518 CG ASN A 67 -7.095 12.689 -3.281 1.00 0.00 C ATOM 519 OD1 ASN A 67 -6.855 12.932 -4.463 1.00 0.00 O ATOM 520 ND2 ASN A 67 -7.267 13.670 -2.413 1.00 0.00 N ATOM 0 H ASN A 67 -9.812 10.226 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.232 10.532 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.421 11.268 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.209 10.776 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.201 14.640 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.466 13.457 -1.435 1.00 0.00 H new ATOM 521 N PRO A 68 -6.870 8.251 -3.836 1.00 0.00 N ATOM 522 CA PRO A 68 -6.431 6.866 -3.498 1.00 0.00 C ATOM 523 C PRO A 68 -6.258 6.484 -2.014 1.00 0.00 C ATOM 524 O PRO A 68 -6.580 5.345 -1.683 1.00 0.00 O ATOM 525 CB PRO A 68 -5.087 6.720 -4.269 1.00 0.00 C ATOM 526 CG PRO A 68 -5.237 7.664 -5.478 1.00 0.00 C ATOM 527 CD PRO A 68 -6.057 8.842 -4.927 1.00 0.00 C ATOM 0 HA PRO A 68 -7.229 6.179 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.238 7.003 -3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.920 5.691 -4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.267 7.992 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.748 7.174 -6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.410 9.636 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.688 9.282 -5.699 1.00 0.00 H new ATOM 528 N TYR A 69 -5.828 7.415 -1.122 1.00 0.00 N ATOM 529 CA TYR A 69 -5.482 7.041 0.263 1.00 0.00 C ATOM 530 C TYR A 69 -6.763 7.368 1.070 1.00 0.00 C ATOM 531 O TYR A 69 -6.906 8.547 1.410 1.00 0.00 O ATOM 532 CB TYR A 69 -4.307 7.885 0.863 1.00 0.00 C ATOM 533 CG TYR A 69 -2.818 7.682 0.407 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.434 6.864 -0.672 1.00 0.00 C ATOM 535 CD2 TYR A 69 -1.770 8.254 1.166 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.090 6.579 -0.944 1.00 0.00 C ATOM 537 CE2 TYR A 69 -0.423 7.970 0.891 1.00 0.00 C ATOM 538 CZ TYR A 69 -0.091 7.118 -0.151 1.00 0.00 C ATOM 539 OH TYR A 69 1.199 6.719 -0.320 1.00 0.00 O ATOM 0 H TYR A 69 -5.716 8.406 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.159 6.000 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.550 8.933 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.329 7.731 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.198 6.444 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.012 8.925 1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.832 5.938 -1.774 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.356 8.416 1.492 1.00 0.00 H new ATOM 0 HH TYR A 69 1.286 6.245 -1.174 1.00 0.00 H new ATOM 540 N THR A 70 -7.695 6.402 1.325 1.00 0.00 N ATOM 541 CA THR A 70 -8.814 6.681 2.243 1.00 0.00 C ATOM 542 C THR A 70 -9.867 5.566 2.548 1.00 0.00 C ATOM 543 O THR A 70 -10.360 5.619 3.675 1.00 0.00 O ATOM 544 CB THR A 70 -9.663 8.016 2.032 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.534 8.609 0.737 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.294 9.012 3.139 1.00 0.00 C ATOM 0 H THR A 70 -7.688 5.465 0.921 1.00 0.00 H new ATOM 0 HA THR A 70 -8.138 6.781 3.092 1.00 0.00 H new ATOM 0 HB THR A 70 -10.715 7.739 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.611 8.912 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.867 9.930 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.524 8.577 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.229 9.238 3.085 1.00 0.00 H new ATOM 547 N GLU A 71 -10.260 4.639 1.636 1.00 0.00 N ATOM 548 CA GLU A 71 -11.538 3.855 1.768 1.00 0.00 C ATOM 549 C GLU A 71 -11.871 3.221 3.127 1.00 0.00 C ATOM 550 O GLU A 71 -12.517 3.909 3.926 1.00 0.00 O ATOM 551 CB GLU A 71 -11.893 2.951 0.538 1.00 0.00 C ATOM 552 CG GLU A 71 -11.967 3.752 -0.774 1.00 0.00 C ATOM 553 CD GLU A 71 -10.682 4.175 -1.480 1.00 0.00 C ATOM 554 OE1 GLU A 71 -9.564 3.724 -1.231 1.00 0.00 O ATOM 555 OE2 GLU A 71 -10.922 5.129 -2.436 1.00 0.00 O ATOM 0 H GLU A 71 -9.720 4.410 0.802 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.251 4.679 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.144 2.165 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.850 2.459 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.548 3.161 -1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.539 4.657 -0.570 1.00 0.00 H new ATOM 556 N SER A 72 -11.493 1.954 3.409 1.00 0.00 N ATOM 557 CA SER A 72 -11.987 1.266 4.643 1.00 0.00 C ATOM 558 C SER A 72 -11.245 -0.046 5.069 1.00 0.00 C ATOM 559 O SER A 72 -10.394 -0.572 4.350 1.00 0.00 O ATOM 560 CB SER A 72 -13.513 1.093 4.490 1.00 0.00 C ATOM 561 OG SER A 72 -14.232 2.006 5.309 1.00 0.00 O ATOM 0 H SER A 72 -10.869 1.395 2.827 1.00 0.00 H new ATOM 0 HA SER A 72 -11.746 1.905 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.793 1.242 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.791 0.072 4.752 1.00 0.00 H new ATOM 0 HG SER A 72 -13.917 2.918 5.136 1.00 0.00 H new ATOM 562 N TYR A 73 -11.580 -0.511 6.297 1.00 0.00 N ATOM 563 CA TYR A 73 -10.798 -1.423 7.138 1.00 0.00 C ATOM 564 C TYR A 73 -11.616 -1.619 8.495 1.00 0.00 C ATOM 565 O TYR A 73 -12.357 -0.757 8.978 1.00 0.00 O ATOM 566 CB TYR A 73 -9.505 -0.687 7.622 1.00 0.00 C ATOM 567 CG TYR A 73 -8.262 -1.232 6.980 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.710 -2.391 7.527 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.758 -0.727 5.797 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.726 -3.098 6.860 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.794 -1.443 5.110 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.291 -2.638 5.613 1.00 0.00 C ATOM 573 OH TYR A 73 -5.449 -3.395 4.861 1.00 0.00 O ATOM 0 H TYR A 73 -12.455 -0.238 6.744 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.591 -2.339 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.590 0.376 7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.422 -0.779 8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.057 -2.742 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.113 0.218 5.412 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.301 -3.990 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.426 -1.067 4.167 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.961 -3.865 4.170 1.00 0.00 H new ATOM 574 N SER A 74 -11.265 -2.751 9.100 1.00 0.00 N ATOM 575 CA SER A 74 -11.699 -3.215 10.446 1.00 0.00 C ATOM 576 C SER A 74 -10.852 -4.488 10.796 1.00 0.00 C ATOM 577 O SER A 74 -11.320 -5.620 10.641 1.00 0.00 O ATOM 578 CB SER A 74 -13.207 -3.481 10.313 1.00 0.00 C ATOM 579 OG SER A 74 -13.790 -3.966 11.508 1.00 0.00 O ATOM 0 H SER A 74 -10.635 -3.417 8.652 1.00 0.00 H new ATOM 0 HA SER A 74 -11.541 -2.504 11.257 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.708 -2.559 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.374 -4.204 9.514 1.00 0.00 H new ATOM 0 HG SER A 74 -14.550 -4.544 11.290 1.00 0.00 H new ATOM 580 N TYR A 75 -9.586 -4.291 11.218 1.00 0.00 N ATOM 581 CA TYR A 75 -8.519 -5.316 11.135 1.00 0.00 C ATOM 582 C TYR A 75 -8.161 -6.048 12.454 1.00 0.00 C ATOM 583 O TYR A 75 -9.042 -6.413 13.236 1.00 0.00 O ATOM 584 CB TYR A 75 -7.347 -4.663 10.315 1.00 0.00 C ATOM 585 CG TYR A 75 -6.601 -3.477 10.936 1.00 0.00 C ATOM 586 CD1 TYR A 75 -7.160 -2.191 11.114 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.372 -3.746 11.516 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.567 -1.286 11.995 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.782 -2.854 12.404 1.00 0.00 C ATOM 590 CZ TYR A 75 -5.399 -1.633 12.675 1.00 0.00 C ATOM 591 OH TYR A 75 -4.939 -0.801 13.651 1.00 0.00 O ATOM 0 H TYR A 75 -9.271 -3.412 11.629 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.875 -6.197 10.600 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.615 -5.442 10.102 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.752 -4.337 9.357 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.047 -1.908 10.567 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.862 -4.667 11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.013 -0.315 12.151 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.848 -3.106 12.883 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.464 -1.324 14.330 1.00 0.00 H new ATOM 592 N SER A 76 -6.859 -6.351 12.610 1.00 0.00 N ATOM 593 CA SER A 76 -6.324 -7.398 13.505 1.00 0.00 C ATOM 594 C SER A 76 -4.775 -7.178 13.712 1.00 0.00 C ATOM 595 O SER A 76 -4.263 -6.060 13.614 1.00 0.00 O ATOM 596 CB SER A 76 -6.526 -8.704 12.648 1.00 0.00 C ATOM 597 OG SER A 76 -6.552 -9.883 13.436 1.00 0.00 O ATOM 0 H SER A 76 -6.125 -5.859 12.101 1.00 0.00 H new ATOM 0 HA SER A 76 -6.797 -7.416 14.487 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.459 -8.626 12.090 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.722 -8.780 11.916 1.00 0.00 H new ATOM 0 HG SER A 76 -6.681 -10.662 12.855 1.00 0.00 H new ATOM 598 N CYS A 77 -4.106 -8.280 14.106 1.00 0.00 N ATOM 599 CA CYS A 77 -2.696 -8.616 13.808 1.00 0.00 C ATOM 600 C CYS A 77 -2.282 -9.778 14.738 1.00 0.00 C ATOM 601 O CYS A 77 -2.676 -9.829 15.911 1.00 0.00 O ATOM 602 CB CYS A 77 -1.711 -7.508 13.570 1.00 0.00 C ATOM 603 SG CYS A 77 -0.077 -8.142 13.146 1.00 0.00 S ATOM 0 H CYS A 77 -4.557 -8.999 14.671 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.650 -8.957 12.774 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.072 -6.868 12.765 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.639 -6.888 14.463 1.00 0.00 H new ATOM 604 N SER A 78 -1.444 -10.681 14.228 1.00 0.00 N ATOM 605 CA SER A 78 -1.018 -11.900 14.974 1.00 0.00 C ATOM 606 C SER A 78 0.510 -11.807 15.189 1.00 0.00 C ATOM 607 O SER A 78 1.027 -10.784 15.651 1.00 0.00 O ATOM 608 CB SER A 78 -1.616 -13.124 14.230 1.00 0.00 C ATOM 609 OG SER A 78 -3.043 -13.096 14.266 1.00 0.00 O ATOM 0 H SER A 78 -1.036 -10.604 13.296 1.00 0.00 H new ATOM 0 HA SER A 78 -1.401 -12.007 15.989 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.275 -13.128 13.195 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.255 -14.045 14.688 1.00 0.00 H new ATOM 0 HG SER A 78 -3.398 -13.876 13.790 1.00 0.00 H new ATOM 610 N ASN A 79 1.205 -12.891 14.856 1.00 0.00 N ATOM 611 CA ASN A 79 2.676 -12.941 14.633 1.00 0.00 C ATOM 612 C ASN A 79 3.370 -11.726 13.882 1.00 0.00 C ATOM 613 O ASN A 79 4.527 -11.400 14.148 1.00 0.00 O ATOM 614 CB ASN A 79 2.903 -14.192 13.697 1.00 0.00 C ATOM 615 CG ASN A 79 2.891 -15.559 14.379 1.00 0.00 C ATOM 616 OD1 ASN A 79 3.070 -15.704 15.588 1.00 0.00 O ATOM 617 ND2 ASN A 79 2.703 -16.610 13.600 1.00 0.00 N ATOM 0 H ASN A 79 0.759 -13.799 14.726 1.00 0.00 H new ATOM 0 HA ASN A 79 3.119 -12.948 15.629 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.132 -14.187 12.927 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.860 -14.071 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.706 -17.548 14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.555 -16.483 12.599 1.00 0.00 H new ATOM 618 N THR A 80 2.602 -11.193 12.935 1.00 0.00 N ATOM 619 CA THR A 80 2.941 -10.225 11.871 1.00 0.00 C ATOM 620 C THR A 80 1.774 -10.216 10.758 1.00 0.00 C ATOM 621 O THR A 80 1.812 -9.352 9.880 1.00 0.00 O ATOM 622 CB THR A 80 4.384 -10.319 11.302 1.00 0.00 C ATOM 623 OG1 THR A 80 4.605 -9.331 10.310 1.00 0.00 O ATOM 624 CG2 THR A 80 4.857 -11.627 10.696 1.00 0.00 C ATOM 0 H THR A 80 1.617 -11.451 12.880 1.00 0.00 H new ATOM 0 HA THR A 80 2.975 -9.240 12.337 1.00 0.00 H new ATOM 0 HB THR A 80 4.960 -10.188 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.812 -8.475 10.741 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.884 -11.517 10.349 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.811 -12.414 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.216 -11.891 9.855 1.00 0.00 H new ATOM 625 N GLU A 81 0.757 -11.117 10.839 1.00 0.00 N ATOM 626 CA GLU A 81 -0.321 -11.294 9.844 1.00 0.00 C ATOM 627 C GLU A 81 -1.699 -10.854 10.361 1.00 0.00 C ATOM 628 O GLU A 81 -2.036 -11.067 11.523 1.00 0.00 O ATOM 629 CB GLU A 81 -0.480 -12.826 9.579 1.00 0.00 C ATOM 630 CG GLU A 81 0.704 -13.320 8.756 1.00 0.00 C ATOM 631 CD GLU A 81 0.622 -14.770 8.341 1.00 0.00 C ATOM 632 OE1 GLU A 81 -0.026 -14.931 7.142 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.086 -15.693 9.009 1.00 0.00 O ATOM 0 H GLU A 81 0.668 -11.758 11.627 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.042 -10.700 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.532 -13.367 10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.412 -13.020 9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.789 -12.704 7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.617 -13.172 9.333 1.00 0.00 H new ATOM 634 N ILE A 82 -2.532 -10.341 9.451 1.00 0.00 N ATOM 635 CA ILE A 82 -3.759 -9.602 9.854 1.00 0.00 C ATOM 636 C ILE A 82 -5.014 -10.270 9.191 1.00 0.00 C ATOM 637 O ILE A 82 -5.285 -11.446 9.443 1.00 0.00 O ATOM 638 CB ILE A 82 -3.473 -8.082 9.639 1.00 0.00 C ATOM 639 CG1 ILE A 82 -2.167 -7.542 10.280 1.00 0.00 C ATOM 640 CG2 ILE A 82 -4.568 -7.123 10.089 1.00 0.00 C ATOM 641 CD1 ILE A 82 -1.016 -7.317 9.327 1.00 0.00 C ATOM 0 H ILE A 82 -2.394 -10.415 8.443 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.023 -9.667 10.910 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.396 -8.087 8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.391 -6.599 10.779 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.845 -8.242 11.051 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.258 -6.097 9.890 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.486 -7.337 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.745 -7.248 11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.155 -6.940 9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.754 -8.259 8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.308 -6.590 8.569 1.00 0.00 H new ATOM 642 N THR A 83 -5.772 -9.470 8.433 1.00 0.00 N ATOM 643 CA THR A 83 -7.091 -9.814 7.815 1.00 0.00 C ATOM 644 C THR A 83 -7.481 -8.589 6.922 1.00 0.00 C ATOM 645 O THR A 83 -7.013 -8.589 5.796 1.00 0.00 O ATOM 646 CB THR A 83 -8.176 -10.332 8.788 1.00 0.00 C ATOM 647 OG1 THR A 83 -9.268 -10.865 8.039 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.711 -9.297 9.770 1.00 0.00 C ATOM 0 H THR A 83 -5.484 -8.517 8.214 1.00 0.00 H new ATOM 0 HA THR A 83 -7.000 -10.706 7.195 1.00 0.00 H new ATOM 0 HB THR A 83 -7.683 -11.093 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.956 -11.195 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.466 -9.757 10.408 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.893 -8.924 10.386 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.157 -8.469 9.219 1.00 0.00 H new ATOM 649 N CYS A 84 -8.417 -7.675 7.262 1.00 0.00 N ATOM 650 CA CYS A 84 -8.512 -6.296 6.746 1.00 0.00 C ATOM 651 C CYS A 84 -9.817 -5.729 7.304 1.00 0.00 C ATOM 652 O CYS A 84 -9.752 -4.879 8.173 1.00 0.00 O ATOM 653 CB CYS A 84 -8.266 -5.951 5.304 1.00 0.00 C ATOM 654 SG CYS A 84 -8.822 -4.280 4.931 1.00 0.00 S ATOM 0 H CYS A 84 -9.156 -7.889 7.931 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.603 -5.811 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.203 -6.041 5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.787 -6.662 4.663 1.00 0.00 H new ATOM 655 N ASN A 85 -10.963 -6.168 6.770 1.00 0.00 N ATOM 656 CA ASN A 85 -12.309 -5.803 7.252 1.00 0.00 C ATOM 657 C ASN A 85 -13.064 -7.101 7.671 1.00 0.00 C ATOM 658 O ASN A 85 -12.479 -8.190 7.762 1.00 0.00 O ATOM 659 CB ASN A 85 -12.964 -4.922 6.154 1.00 0.00 C ATOM 660 CG ASN A 85 -13.591 -5.607 4.931 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.677 -5.235 4.492 1.00 0.00 O ATOM 662 ND2 ASN A 85 -12.952 -6.626 4.367 1.00 0.00 N ATOM 0 H ASN A 85 -10.985 -6.802 5.971 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.316 -5.196 8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.740 -4.324 6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.205 -4.229 5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.362 -7.104 3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.051 -6.930 4.736 1.00 0.00 H new ATOM 663 N SER A 86 -14.373 -6.988 7.937 1.00 0.00 N ATOM 664 CA SER A 86 -15.237 -8.180 8.172 1.00 0.00 C ATOM 665 C SER A 86 -16.715 -7.886 7.809 1.00 0.00 C ATOM 666 O SER A 86 -17.602 -8.080 8.650 1.00 0.00 O ATOM 667 CB SER A 86 -15.051 -8.719 9.618 1.00 0.00 C ATOM 668 OG SER A 86 -15.400 -7.758 10.613 1.00 0.00 O ATOM 0 H SER A 86 -14.864 -6.096 7.997 1.00 0.00 H new ATOM 0 HA SER A 86 -14.921 -8.979 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.663 -9.611 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.013 -9.021 9.758 1.00 0.00 H new ATOM 0 HG SER A 86 -16.304 -7.421 10.439 1.00 0.00 H new ATOM 669 N LYS A 87 -16.998 -7.438 6.554 1.00 0.00 N ATOM 670 CA LYS A 87 -18.368 -6.979 6.203 1.00 0.00 C ATOM 671 C LYS A 87 -18.832 -6.982 4.720 1.00 0.00 C ATOM 672 O LYS A 87 -19.953 -7.437 4.473 1.00 0.00 O ATOM 673 CB LYS A 87 -18.723 -5.612 6.877 1.00 0.00 C ATOM 674 CG LYS A 87 -17.722 -4.471 6.679 1.00 0.00 C ATOM 675 CD LYS A 87 -16.853 -4.126 7.898 1.00 0.00 C ATOM 676 CE LYS A 87 -17.617 -3.408 9.018 1.00 0.00 C ATOM 677 NZ LYS A 87 -16.726 -3.042 10.131 1.00 0.00 N ATOM 0 H LYS A 87 -16.320 -7.386 5.794 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.947 -7.802 6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.691 -5.286 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.841 -5.780 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.064 -4.730 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.272 -3.577 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.421 -5.044 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.024 -3.497 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.090 -2.511 8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.415 -4.053 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.275 -2.559 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.294 -3.901 10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.979 -2.407 9.783 1.00 0.00 H new ATOM 678 N ASN A 88 -18.055 -6.446 3.759 1.00 0.00 N ATOM 679 CA ASN A 88 -18.652 -5.903 2.509 1.00 0.00 C ATOM 680 C ASN A 88 -18.638 -6.682 1.180 1.00 0.00 C ATOM 681 O ASN A 88 -17.660 -7.316 0.779 1.00 0.00 O ATOM 682 CB ASN A 88 -18.072 -4.459 2.305 1.00 0.00 C ATOM 683 CG ASN A 88 -19.020 -3.364 2.837 1.00 0.00 C ATOM 684 OD1 ASN A 88 -19.019 -3.044 4.023 1.00 0.00 O ATOM 685 ND2 ASN A 88 -19.855 -2.787 1.993 1.00 0.00 N ATOM 0 H ASN A 88 -17.039 -6.375 3.814 1.00 0.00 H new ATOM 0 HA ASN A 88 -19.720 -5.971 2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.111 -4.381 2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -17.887 -4.291 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -20.503 -2.072 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -19.852 -3.056 1.009 1.00 0.00 H new ATOM 686 N ASN A 89 -19.774 -6.433 0.461 1.00 0.00 N ATOM 687 CA ASN A 89 -19.810 -6.407 -1.029 1.00 0.00 C ATOM 688 C ASN A 89 -19.040 -5.112 -1.384 1.00 0.00 C ATOM 689 O ASN A 89 -19.197 -4.041 -0.793 1.00 0.00 O ATOM 690 CB ASN A 89 -21.231 -6.408 -1.593 1.00 0.00 C ATOM 691 CG ASN A 89 -21.390 -6.274 -3.112 1.00 0.00 C ATOM 692 OD1 ASN A 89 -21.573 -5.173 -3.632 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.334 -7.370 -3.852 1.00 0.00 N ATOM 0 H ASN A 89 -20.678 -6.247 0.895 1.00 0.00 H new ATOM 0 HA ASN A 89 -19.365 -7.300 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -21.715 -7.335 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.780 -5.591 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -21.443 -7.308 -4.864 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -21.182 -8.277 -3.410 1.00 0.00 H new ATOM 694 N ALA A 90 -18.207 -5.303 -2.379 1.00 0.00 N ATOM 695 CA ALA A 90 -16.833 -4.796 -2.373 1.00 0.00 C ATOM 696 C ALA A 90 -16.439 -3.339 -2.118 1.00 0.00 C ATOM 697 O ALA A 90 -15.262 -3.110 -1.868 1.00 0.00 O ATOM 698 CB ALA A 90 -16.129 -5.314 -3.638 1.00 0.00 C ATOM 0 H ALA A 90 -18.453 -5.816 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.508 -5.188 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.102 -4.950 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.128 -6.404 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.658 -4.956 -4.521 1.00 0.00 H new ATOM 699 N CYS A 91 -17.348 -2.375 -2.210 1.00 0.00 N ATOM 700 CA CYS A 91 -17.191 -0.983 -1.679 1.00 0.00 C ATOM 701 C CYS A 91 -15.957 -0.641 -0.792 1.00 0.00 C ATOM 702 O CYS A 91 -15.125 0.150 -1.230 1.00 0.00 O ATOM 703 CB CYS A 91 -18.495 -0.825 -0.867 1.00 0.00 C ATOM 704 SG CYS A 91 -19.950 -1.009 -1.933 1.00 0.00 S ATOM 0 H CYS A 91 -18.249 -2.522 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 91 -17.015 -0.301 -2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.525 -1.570 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -18.513 0.154 -0.387 1.00 0.00 H new ATOM 705 N GLU A 92 -15.853 -1.247 0.406 1.00 0.00 N ATOM 706 CA GLU A 92 -14.625 -1.267 1.207 1.00 0.00 C ATOM 707 C GLU A 92 -13.749 -2.519 1.017 1.00 0.00 C ATOM 708 O GLU A 92 -12.527 -2.367 0.977 1.00 0.00 O ATOM 709 CB GLU A 92 -14.872 -1.109 2.711 1.00 0.00 C ATOM 710 CG GLU A 92 -15.748 -2.099 3.452 1.00 0.00 C ATOM 711 CD GLU A 92 -15.861 -1.780 4.936 1.00 0.00 C ATOM 712 OE1 GLU A 92 -14.980 -2.051 5.751 1.00 0.00 O ATOM 713 OE2 GLU A 92 -17.039 -1.151 5.249 1.00 0.00 O ATOM 0 H GLU A 92 -16.630 -1.740 0.845 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.090 -0.400 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.898 -1.112 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.303 -0.120 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.743 -2.102 3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.341 -3.103 3.329 1.00 0.00 H new ATOM 714 N ALA A 93 -14.348 -3.733 1.005 1.00 0.00 N ATOM 715 CA ALA A 93 -13.563 -4.975 0.956 1.00 0.00 C ATOM 716 C ALA A 93 -12.696 -5.231 -0.297 1.00 0.00 C ATOM 717 O ALA A 93 -11.840 -6.123 -0.269 1.00 0.00 O ATOM 718 CB ALA A 93 -14.443 -6.215 1.098 1.00 0.00 C ATOM 0 H ALA A 93 -15.358 -3.872 1.028 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.889 -4.812 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.821 -7.109 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.967 -6.182 2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.170 -6.240 0.286 1.00 0.00 H new ATOM 719 N PHE A 94 -12.925 -4.481 -1.384 1.00 0.00 N ATOM 720 CA PHE A 94 -11.967 -4.509 -2.520 1.00 0.00 C ATOM 721 C PHE A 94 -10.677 -3.725 -2.168 1.00 0.00 C ATOM 722 O PHE A 94 -9.592 -4.126 -2.592 1.00 0.00 O ATOM 723 CB PHE A 94 -12.707 -4.021 -3.767 1.00 0.00 C ATOM 724 CG PHE A 94 -11.860 -3.574 -4.943 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.256 -2.327 -4.850 1.00 0.00 C ATOM 726 CD2 PHE A 94 -11.922 -4.212 -6.188 1.00 0.00 C ATOM 727 CE1 PHE A 94 -10.729 -1.702 -5.960 1.00 0.00 C ATOM 728 CE2 PHE A 94 -11.430 -3.571 -7.324 1.00 0.00 C ATOM 729 CZ PHE A 94 -10.830 -2.309 -7.202 1.00 0.00 C ATOM 0 H PHE A 94 -13.730 -3.867 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.613 -5.518 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.362 -4.823 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.348 -3.189 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.198 -1.837 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.351 -5.200 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.240 -0.744 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.510 -4.043 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.446 -1.809 -8.079 1.00 0.00 H new ATOM 730 N ILE A 95 -10.824 -2.577 -1.486 1.00 0.00 N ATOM 731 CA ILE A 95 -9.683 -1.746 -1.044 1.00 0.00 C ATOM 732 C ILE A 95 -8.863 -2.518 0.036 1.00 0.00 C ATOM 733 O ILE A 95 -7.640 -2.462 -0.022 1.00 0.00 O ATOM 734 CB ILE A 95 -10.207 -0.336 -0.623 1.00 0.00 C ATOM 735 CG1 ILE A 95 -10.780 0.404 -1.866 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.101 0.500 0.049 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.273 0.177 -2.118 1.00 0.00 C ATOM 0 H ILE A 95 -11.733 -2.196 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.975 -1.559 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.002 -0.470 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.605 1.473 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.225 0.086 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.501 1.475 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.746 -0.016 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.273 0.634 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.581 0.732 -3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.458 -0.886 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.844 0.523 -1.256 1.00 0.00 H new ATOM 738 N CYS A 96 -9.522 -3.272 0.951 1.00 0.00 N ATOM 739 CA CYS A 96 -8.890 -4.372 1.709 1.00 0.00 C ATOM 740 C CYS A 96 -8.023 -5.352 0.875 1.00 0.00 C ATOM 741 O CYS A 96 -6.912 -5.641 1.321 1.00 0.00 O ATOM 742 CB CYS A 96 -9.999 -5.182 2.401 1.00 0.00 C ATOM 743 SG CYS A 96 -10.503 -4.381 3.905 1.00 0.00 S ATOM 0 H CYS A 96 -10.506 -3.132 1.181 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.204 -3.891 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -10.854 -5.286 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -9.641 -6.188 2.619 1.00 0.00 H new ATOM 744 N ASN A 97 -8.485 -5.829 -0.307 1.00 0.00 N ATOM 745 CA ASN A 97 -7.581 -6.613 -1.219 1.00 0.00 C ATOM 746 C ASN A 97 -6.320 -5.837 -1.729 1.00 0.00 C ATOM 747 O ASN A 97 -5.243 -6.436 -1.790 1.00 0.00 O ATOM 748 CB ASN A 97 -8.402 -7.177 -2.396 1.00 0.00 C ATOM 749 CG ASN A 97 -7.818 -8.404 -3.105 1.00 0.00 C ATOM 750 OD1 ASN A 97 -6.891 -9.070 -2.641 1.00 0.00 O ATOM 751 ND2 ASN A 97 -8.369 -8.742 -4.257 1.00 0.00 N ATOM 0 H ASN A 97 -9.436 -5.699 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.172 -7.424 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.395 -7.435 -2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.531 -6.385 -3.134 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.027 -9.557 -4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.136 -8.188 -4.637 1.00 0.00 H new ATOM 752 N CYS A 98 -6.459 -4.538 -2.045 1.00 0.00 N ATOM 753 CA CYS A 98 -5.313 -3.658 -2.359 1.00 0.00 C ATOM 754 C CYS A 98 -4.318 -3.496 -1.149 1.00 0.00 C ATOM 755 O CYS A 98 -3.161 -3.890 -1.285 1.00 0.00 O ATOM 756 CB CYS A 98 -5.774 -2.275 -2.860 1.00 0.00 C ATOM 757 SG CYS A 98 -7.134 -2.314 -4.034 1.00 0.00 S ATOM 0 H CYS A 98 -7.363 -4.067 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.770 -4.155 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.071 -1.673 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.926 -1.771 -3.324 1.00 0.00 H new ATOM 758 N ASP A 99 -4.778 -2.963 0.000 1.00 0.00 N ATOM 759 CA ASP A 99 -3.972 -2.702 1.216 1.00 0.00 C ATOM 760 C ASP A 99 -3.311 -3.919 1.881 1.00 0.00 C ATOM 761 O ASP A 99 -2.185 -3.784 2.351 1.00 0.00 O ATOM 762 CB ASP A 99 -4.857 -1.959 2.237 1.00 0.00 C ATOM 763 CG ASP A 99 -5.356 -0.571 1.849 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.493 0.422 2.209 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.433 -0.374 1.301 1.00 0.00 O ATOM 0 H ASP A 99 -5.755 -2.692 0.114 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.126 -2.103 0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.725 -2.583 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.296 -1.868 3.167 1.00 0.00 H new ATOM 766 N ARG A 100 -3.989 -5.067 1.928 1.00 0.00 N ATOM 767 CA ARG A 100 -3.374 -6.322 2.382 1.00 0.00 C ATOM 768 C ARG A 100 -2.397 -6.959 1.404 1.00 0.00 C ATOM 769 O ARG A 100 -1.348 -7.352 1.900 1.00 0.00 O ATOM 770 CB ARG A 100 -4.415 -7.393 2.709 1.00 0.00 C ATOM 771 CG ARG A 100 -5.276 -7.047 3.902 1.00 0.00 C ATOM 772 CD ARG A 100 -4.595 -6.870 5.265 1.00 0.00 C ATOM 773 NE ARG A 100 -3.500 -7.742 5.703 1.00 0.00 N ATOM 774 CZ ARG A 100 -3.447 -9.083 5.690 1.00 0.00 C ATOM 775 NH1 ARG A 100 -4.403 -9.877 5.227 1.00 0.00 N ATOM 776 NH2 ARG A 100 -2.360 -9.652 6.167 1.00 0.00 N ATOM 0 H ARG A 100 -4.968 -5.157 1.657 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.824 -6.004 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.055 -7.545 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.906 -8.338 2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.805 -6.122 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.029 -7.828 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.216 -5.848 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.378 -6.944 6.020 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.672 -7.268 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.259 -9.475 4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.283 -10.890 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.599 -9.076 6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.278 -10.669 6.176 1.00 0.00 H new ATOM 777 N ASN A 101 -2.659 -7.114 0.085 1.00 0.00 N ATOM 778 CA ASN A 101 -1.567 -7.638 -0.799 1.00 0.00 C ATOM 779 C ASN A 101 -0.349 -6.634 -0.930 1.00 0.00 C ATOM 780 O ASN A 101 0.750 -7.075 -1.256 1.00 0.00 O ATOM 781 CB ASN A 101 -2.163 -8.058 -2.153 1.00 0.00 C ATOM 782 CG ASN A 101 -1.232 -8.899 -3.031 1.00 0.00 C ATOM 783 OD1 ASN A 101 -0.478 -8.369 -3.847 1.00 0.00 O ATOM 784 ND2 ASN A 101 -1.256 -10.214 -2.888 1.00 0.00 N ATOM 0 H ASN A 101 -3.545 -6.905 -0.375 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.135 -8.524 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.077 -8.623 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.446 -7.161 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.645 -10.800 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.885 -10.642 -2.208 1.00 0.00 H new ATOM 785 N ALA A 102 -0.556 -5.340 -0.624 1.00 0.00 N ATOM 786 CA ALA A 102 0.514 -4.390 -0.282 1.00 0.00 C ATOM 787 C ALA A 102 1.101 -4.623 1.148 1.00 0.00 C ATOM 788 O ALA A 102 2.312 -4.507 1.248 1.00 0.00 O ATOM 789 CB ALA A 102 -0.067 -2.983 -0.442 1.00 0.00 C ATOM 0 H ALA A 102 -1.486 -4.921 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 102 1.362 -4.534 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.696 -2.244 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.394 -2.839 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.917 -2.862 0.229 1.00 0.00 H new ATOM 790 N ALA A 103 0.345 -4.980 2.222 1.00 0.00 N ATOM 791 CA ALA A 103 0.962 -5.406 3.537 1.00 0.00 C ATOM 792 C ALA A 103 1.889 -6.668 3.493 1.00 0.00 C ATOM 793 O ALA A 103 2.829 -6.790 4.268 1.00 0.00 O ATOM 794 CB ALA A 103 -0.123 -5.621 4.605 1.00 0.00 C ATOM 0 H ALA A 103 -0.675 -4.986 2.218 1.00 0.00 H new ATOM 0 HA ALA A 103 1.617 -4.572 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.344 -5.927 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.671 -4.692 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.812 -6.398 4.273 1.00 0.00 H new ATOM 795 N ILE A 104 1.561 -7.532 2.550 1.00 0.00 N ATOM 796 CA ILE A 104 2.263 -8.755 2.073 1.00 0.00 C ATOM 797 C ILE A 104 3.480 -8.283 1.338 1.00 0.00 C ATOM 798 O ILE A 104 4.507 -8.192 1.979 1.00 0.00 O ATOM 799 CB ILE A 104 1.146 -9.455 1.232 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.163 -10.299 2.064 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.509 -10.278 -0.007 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.116 -9.789 3.458 1.00 0.00 C ATOM 0 H ILE A 104 0.697 -7.395 2.025 1.00 0.00 H new ATOM 0 HA ILE A 104 2.648 -9.466 2.804 1.00 0.00 H new ATOM 0 HB ILE A 104 0.697 -8.540 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.782 -10.362 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.556 -11.313 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.601 -10.683 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.017 -9.641 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.168 -11.097 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.820 -10.456 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.814 -9.754 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.544 -8.788 3.400 1.00 0.00 H new ATOM 803 N CYS A 105 3.350 -7.838 0.090 1.00 0.00 N ATOM 804 CA CYS A 105 4.462 -7.269 -0.698 1.00 0.00 C ATOM 805 C CYS A 105 5.464 -6.383 0.105 1.00 0.00 C ATOM 806 O CYS A 105 6.671 -6.520 -0.055 1.00 0.00 O ATOM 807 CB CYS A 105 3.874 -6.401 -1.805 1.00 0.00 C ATOM 808 SG CYS A 105 3.038 -7.281 -3.109 1.00 0.00 S ATOM 0 H CYS A 105 2.464 -7.859 -0.415 1.00 0.00 H new ATOM 0 HA CYS A 105 5.027 -8.126 -1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.172 -5.698 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.678 -5.811 -2.246 1.00 0.00 H new ATOM 809 N PHE A 106 4.942 -5.585 1.042 1.00 0.00 N ATOM 810 CA PHE A 106 5.776 -4.767 1.937 1.00 0.00 C ATOM 811 C PHE A 106 6.417 -5.557 3.069 1.00 0.00 C ATOM 812 O PHE A 106 7.635 -5.440 3.235 1.00 0.00 O ATOM 813 CB PHE A 106 5.020 -3.518 2.330 1.00 0.00 C ATOM 814 CG PHE A 106 4.602 -2.621 1.127 1.00 0.00 C ATOM 815 CD1 PHE A 106 5.057 -2.740 -0.230 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.536 -1.778 1.395 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.404 -2.050 -1.240 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.941 -1.032 0.390 1.00 0.00 C ATOM 819 CZ PHE A 106 3.352 -1.191 -0.928 1.00 0.00 C ATOM 0 H PHE A 106 3.940 -5.486 1.203 1.00 0.00 H new ATOM 0 HA PHE A 106 6.659 -4.427 1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.125 -3.807 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.638 -2.931 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.906 -3.366 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.162 -1.701 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.710 -2.178 -2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.159 -0.328 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.853 -0.645 -1.715 1.00 0.00 H new ATOM 820 N SER A 107 5.651 -6.420 3.771 1.00 0.00 N ATOM 821 CA SER A 107 6.276 -7.428 4.670 1.00 0.00 C ATOM 822 C SER A 107 7.358 -8.368 4.071 1.00 0.00 C ATOM 823 O SER A 107 8.305 -8.752 4.762 1.00 0.00 O ATOM 824 CB SER A 107 5.217 -8.301 5.378 1.00 0.00 C ATOM 825 OG SER A 107 5.783 -9.196 6.337 1.00 0.00 O ATOM 0 H SER A 107 4.632 -6.445 3.740 1.00 0.00 H new ATOM 0 HA SER A 107 6.812 -6.782 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.494 -7.654 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.670 -8.876 4.631 1.00 0.00 H new ATOM 0 HG SER A 107 6.063 -8.692 7.129 1.00 0.00 H new ATOM 826 N LYS A 108 7.151 -8.725 2.810 1.00 0.00 N ATOM 827 CA LYS A 108 7.797 -9.855 2.171 1.00 0.00 C ATOM 828 C LYS A 108 8.222 -9.441 0.766 1.00 0.00 C ATOM 829 O LYS A 108 9.310 -8.867 0.688 1.00 0.00 O ATOM 830 CB LYS A 108 7.024 -11.176 2.370 1.00 0.00 C ATOM 831 CG LYS A 108 5.509 -11.129 2.593 1.00 0.00 C ATOM 832 CD LYS A 108 4.686 -12.123 1.787 1.00 0.00 C ATOM 833 CE LYS A 108 4.767 -12.029 0.244 1.00 0.00 C ATOM 834 NZ LYS A 108 5.856 -12.798 -0.388 1.00 0.00 N ATOM 0 H LYS A 108 6.514 -8.223 2.192 1.00 0.00 H new ATOM 0 HA LYS A 108 8.731 -10.128 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.208 -11.799 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.466 -11.689 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.312 -11.298 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.158 -10.124 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.990 -13.128 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.642 -12.009 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.819 -12.368 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.880 -10.981 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.457 -13.448 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.518 -12.144 -0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.362 -13.345 0.338 1.00 0.00 H new ATOM 835 N ALA A 109 7.463 -9.685 -0.347 1.00 0.00 N ATOM 836 CA ALA A 109 8.092 -9.647 -1.725 1.00 0.00 C ATOM 837 C ALA A 109 9.465 -10.424 -1.827 1.00 0.00 C ATOM 838 O ALA A 109 9.844 -11.147 -0.899 1.00 0.00 O ATOM 839 CB ALA A 109 8.108 -8.157 -2.109 1.00 0.00 C ATOM 0 H ALA A 109 6.466 -9.900 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 109 7.517 -10.207 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.550 -8.041 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.088 -7.773 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.697 -7.600 -1.381 1.00 0.00 H new ATOM 840 N PRO A 110 10.248 -10.312 -2.903 1.00 0.00 N ATOM 841 CA PRO A 110 11.731 -10.630 -2.904 1.00 0.00 C ATOM 842 C PRO A 110 12.689 -9.612 -2.139 1.00 0.00 C ATOM 843 O PRO A 110 13.898 -9.644 -2.384 1.00 0.00 O ATOM 844 CB PRO A 110 12.047 -10.343 -4.424 1.00 0.00 C ATOM 845 CG PRO A 110 11.076 -9.170 -4.665 1.00 0.00 C ATOM 846 CD PRO A 110 9.792 -9.831 -4.206 1.00 0.00 C ATOM 0 HA PRO A 110 11.898 -11.606 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.088 -10.067 -4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.838 -11.199 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.328 -8.287 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.041 -8.860 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.960 -9.131 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.472 -10.637 -4.866 1.00 0.00 H new ATOM 847 N TYR A 111 12.146 -8.843 -1.177 1.00 0.00 N ATOM 848 CA TYR A 111 12.705 -7.536 -0.737 1.00 0.00 C ATOM 849 C TYR A 111 14.249 -7.349 -0.683 1.00 0.00 C ATOM 850 O TYR A 111 14.994 -8.197 -0.176 1.00 0.00 O ATOM 851 CB TYR A 111 12.353 -7.444 0.838 1.00 0.00 C ATOM 852 CG TYR A 111 12.150 -6.016 1.329 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.891 -5.520 1.080 1.00 0.00 C ATOM 854 CD2 TYR A 111 13.152 -5.135 1.817 1.00 0.00 C ATOM 855 CE1 TYR A 111 10.623 -4.161 1.193 1.00 0.00 C ATOM 856 CE2 TYR A 111 12.841 -3.789 2.041 1.00 0.00 C ATOM 857 CZ TYR A 111 11.581 -3.294 1.709 1.00 0.00 C ATOM 858 OH TYR A 111 11.383 -1.946 1.725 1.00 0.00 O ATOM 0 H TYR A 111 11.299 -9.107 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 111 12.301 -6.826 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.449 -8.020 1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.157 -7.907 1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.100 -6.196 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 111 14.148 -5.502 2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.665 -3.775 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.580 -3.131 2.473 1.00 0.00 H new ATOM 0 HH TYR A 111 10.431 -1.754 1.592 1.00 0.00 H new ATOM 859 N ASN A 112 14.687 -6.230 -1.265 1.00 0.00 N ATOM 860 CA ASN A 112 16.109 -5.835 -1.258 1.00 0.00 C ATOM 861 C ASN A 112 16.065 -4.311 -0.962 1.00 0.00 C ATOM 862 O ASN A 112 15.468 -3.490 -1.663 1.00 0.00 O ATOM 863 CB ASN A 112 16.842 -6.124 -2.582 1.00 0.00 C ATOM 864 CG ASN A 112 17.011 -7.607 -2.922 1.00 0.00 C ATOM 865 OD1 ASN A 112 16.215 -8.182 -3.664 1.00 0.00 O ATOM 866 ND2 ASN A 112 18.036 -8.256 -2.395 1.00 0.00 N ATOM 0 H ASN A 112 14.077 -5.573 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 112 16.672 -6.409 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 112 16.297 -5.641 -3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 112 17.828 -5.662 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 112 18.174 -9.245 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 112 18.688 -7.767 -1.782 1.00 0.00 H new ATOM 867 N LYS A 113 16.788 -4.023 0.107 1.00 0.00 N ATOM 868 CA LYS A 113 16.846 -2.761 0.852 1.00 0.00 C ATOM 869 C LYS A 113 18.117 -1.963 0.557 1.00 0.00 C ATOM 870 O LYS A 113 19.126 -1.971 1.267 1.00 0.00 O ATOM 871 CB LYS A 113 16.653 -3.172 2.324 1.00 0.00 C ATOM 872 CG LYS A 113 17.661 -4.153 2.985 1.00 0.00 C ATOM 873 CD LYS A 113 17.767 -5.597 2.466 1.00 0.00 C ATOM 874 CE LYS A 113 18.951 -5.887 1.512 1.00 0.00 C ATOM 875 NZ LYS A 113 20.234 -6.060 2.219 1.00 0.00 N ATOM 0 H LYS A 113 17.406 -4.723 0.518 1.00 0.00 H new ATOM 0 HA LYS A 113 16.070 -2.056 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 113 16.648 -2.259 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.661 -3.615 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 113 18.651 -3.705 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 113 17.418 -4.205 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.844 -6.266 3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 113 16.840 -5.846 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.735 -6.788 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.044 -5.069 0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.988 -6.251 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.460 -5.192 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.160 -6.858 2.881 1.00 0.00 H new ATOM 876 N GLU A 114 18.047 -1.336 -0.627 1.00 0.00 N ATOM 877 CA GLU A 114 19.214 -1.324 -1.540 1.00 0.00 C ATOM 878 C GLU A 114 19.053 -0.122 -2.471 1.00 0.00 C ATOM 879 O GLU A 114 19.899 0.775 -2.464 1.00 0.00 O ATOM 880 CB GLU A 114 19.228 -2.810 -1.980 1.00 0.00 C ATOM 881 CG GLU A 114 19.495 -3.085 -3.409 1.00 0.00 C ATOM 882 CD GLU A 114 20.895 -2.920 -3.928 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.655 -4.045 -3.732 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.303 -1.890 -4.465 1.00 0.00 O ATOM 0 H GLU A 114 17.224 -0.843 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 114 20.235 -1.115 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.981 -3.331 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.263 -3.248 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.187 -4.111 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.846 -2.436 -3.997 1.00 0.00 H new ATOM 885 N HIS A 115 17.926 -0.079 -3.207 1.00 0.00 N ATOM 886 CA HIS A 115 17.383 1.155 -3.803 1.00 0.00 C ATOM 887 C HIS A 115 16.429 1.784 -2.725 1.00 0.00 C ATOM 888 O HIS A 115 15.219 1.910 -2.869 1.00 0.00 O ATOM 889 CB HIS A 115 16.847 0.869 -5.236 1.00 0.00 C ATOM 890 CG HIS A 115 15.595 0.039 -5.454 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.664 -1.303 -5.089 1.00 0.00 N flip ATOM 892 CD2 HIS A 115 14.357 0.553 -5.142 1.00 0.00 C flip ATOM 893 CE1 HIS A 115 14.578 -1.672 -4.335 1.00 0.00 C flip ATOM 894 NE2 HIS A 115 13.970 -0.444 -4.281 1.00 0.00 N flip ATOM 0 H HIS A 115 17.363 -0.906 -3.406 1.00 0.00 H new ATOM 0 HA HIS A 115 18.115 1.934 -4.016 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.676 1.835 -5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 115 17.652 0.382 -5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.853 1.450 -5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.293 -2.626 -3.917 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.230 -0.271 -3.601 1.00 0.00 H new ATOM 895 N LYS A 116 16.939 2.157 -1.561 1.00 0.00 N ATOM 896 CA LYS A 116 16.325 3.070 -0.629 1.00 0.00 C ATOM 897 C LYS A 116 16.908 4.425 -1.013 1.00 0.00 C ATOM 898 O LYS A 116 18.030 4.549 -1.537 1.00 0.00 O ATOM 899 CB LYS A 116 16.845 2.458 0.690 1.00 0.00 C ATOM 900 CG LYS A 116 16.822 3.450 1.829 1.00 0.00 C ATOM 901 CD LYS A 116 15.686 3.155 2.771 1.00 0.00 C ATOM 902 CE LYS A 116 15.497 4.340 3.717 1.00 0.00 C ATOM 903 NZ LYS A 116 14.547 4.073 4.809 1.00 0.00 N ATOM 0 H LYS A 116 17.839 1.809 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 116 15.244 3.203 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 116 16.236 1.593 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 116 17.864 2.098 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 116 17.768 3.412 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.720 4.461 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.770 2.973 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.896 2.250 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.462 4.612 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.148 5.200 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.466 4.916 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.615 3.842 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.888 3.272 5.378 1.00 0.00 H new ATOM 904 N ASN A 117 16.183 5.475 -0.575 1.00 0.00 N ATOM 905 CA ASN A 117 16.825 6.798 -0.298 1.00 0.00 C ATOM 906 C ASN A 117 16.815 7.696 -1.539 1.00 0.00 C ATOM 907 O ASN A 117 16.354 8.837 -1.472 1.00 0.00 O ATOM 908 CB ASN A 117 18.186 6.593 0.434 1.00 0.00 C ATOM 909 CG ASN A 117 18.536 7.629 1.477 1.00 0.00 C ATOM 910 OD1 ASN A 117 19.093 8.682 1.169 1.00 0.00 O ATOM 911 ND2 ASN A 117 18.216 7.368 2.734 1.00 0.00 N ATOM 0 H ASN A 117 15.178 5.447 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 117 16.234 7.378 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 117 18.176 5.613 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.979 6.575 -0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 117 18.431 8.045 3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 117 17.754 6.490 2.971 1.00 0.00 H new ATOM 912 N LEU A 118 17.296 7.067 -2.640 1.00 0.00 N ATOM 913 CA LEU A 118 17.028 7.489 -4.046 1.00 0.00 C ATOM 914 C LEU A 118 17.002 9.005 -4.283 1.00 0.00 C ATOM 915 O LEU A 118 17.895 9.737 -3.844 1.00 0.00 O ATOM 916 CB LEU A 118 15.895 6.574 -4.560 1.00 0.00 C ATOM 917 CG LEU A 118 16.350 5.092 -4.731 1.00 0.00 C ATOM 918 CD1 LEU A 118 15.120 4.249 -4.509 1.00 0.00 C ATOM 919 CD2 LEU A 118 16.776 4.594 -6.095 1.00 0.00 C ATOM 0 H LEU A 118 17.890 6.240 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 118 17.871 7.323 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.057 6.615 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.534 6.952 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 118 17.208 5.028 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.377 3.195 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.733 4.428 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.360 4.514 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.059 3.544 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.949 4.702 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.628 5.177 -6.446 1.00 0.00 H new ATOM 920 N ASP A 119 16.002 9.430 -5.040 1.00 0.00 N ATOM 921 CA ASP A 119 15.987 10.721 -5.757 1.00 0.00 C ATOM 922 C ASP A 119 14.568 10.902 -6.304 1.00 0.00 C ATOM 923 O ASP A 119 13.858 11.807 -5.856 1.00 0.00 O ATOM 924 CB ASP A 119 17.116 10.687 -6.798 1.00 0.00 C ATOM 925 CG ASP A 119 17.643 11.975 -7.367 1.00 0.00 C ATOM 926 OD1 ASP A 119 17.972 12.940 -6.677 1.00 0.00 O ATOM 927 OD2 ASP A 119 17.739 11.934 -8.735 1.00 0.00 O ATOM 0 H ASP A 119 15.153 8.883 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 119 16.191 11.596 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.958 10.161 -6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.770 10.079 -7.634 1.00 0.00 H new ATOM 928 N THR A 120 14.151 9.980 -7.180 1.00 0.00 N ATOM 929 CA THR A 120 12.749 9.726 -7.569 1.00 0.00 C ATOM 930 C THR A 120 12.452 10.383 -8.927 1.00 0.00 C ATOM 931 O THR A 120 11.421 11.042 -9.065 1.00 0.00 O ATOM 932 CB THR A 120 11.697 9.763 -6.408 1.00 0.00 C ATOM 933 OG1 THR A 120 11.174 11.065 -6.169 1.00 0.00 O ATOM 934 CG2 THR A 120 12.279 9.191 -5.087 1.00 0.00 C ATOM 0 H THR A 120 14.805 9.362 -7.660 1.00 0.00 H new ATOM 0 HA THR A 120 12.605 8.665 -7.775 1.00 0.00 H new ATOM 0 HB THR A 120 10.876 9.130 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 120 11.911 11.687 -5.995 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.520 9.234 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 120 12.583 8.156 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 120 13.144 9.781 -4.785 1.00 0.00 H new ATOM 935 N LYS A 121 13.358 10.139 -9.921 1.00 0.00 N ATOM 936 CA LYS A 121 13.295 10.679 -11.323 1.00 0.00 C ATOM 937 C LYS A 121 13.950 9.646 -12.299 1.00 0.00 C ATOM 938 O LYS A 121 13.320 9.123 -13.219 1.00 0.00 O ATOM 939 CB LYS A 121 14.093 12.005 -11.353 1.00 0.00 C ATOM 940 CG LYS A 121 13.306 13.123 -10.692 1.00 0.00 C ATOM 941 CD LYS A 121 14.120 14.047 -9.795 1.00 0.00 C ATOM 942 CE LYS A 121 14.516 13.303 -8.500 1.00 0.00 C ATOM 943 NZ LYS A 121 15.117 14.234 -7.527 1.00 0.00 N ATOM 0 H LYS A 121 14.174 9.547 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 121 12.263 10.851 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 121 15.046 11.873 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.320 12.275 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.833 13.722 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.505 12.681 -10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.014 14.384 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.539 14.937 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.637 12.830 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.223 12.507 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.376 13.715 -6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.968 14.666 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.431 14.979 -7.290 1.00 0.00 H new ATOM 944 N LYS A 122 15.201 9.335 -11.958 1.00 0.00 N ATOM 945 CA LYS A 122 15.884 8.082 -12.262 1.00 0.00 C ATOM 946 C LYS A 122 15.100 6.778 -11.717 1.00 0.00 C ATOM 947 O LYS A 122 14.979 5.742 -12.366 1.00 0.00 O ATOM 948 CB LYS A 122 17.087 8.284 -11.242 1.00 0.00 C ATOM 949 CG LYS A 122 18.265 9.037 -11.751 1.00 0.00 C ATOM 950 CD LYS A 122 19.389 9.223 -10.727 1.00 0.00 C ATOM 951 CE LYS A 122 20.140 10.496 -11.104 1.00 0.00 C ATOM 952 NZ LYS A 122 21.315 10.754 -10.253 1.00 0.00 N ATOM 0 H LYS A 122 15.792 9.983 -11.437 1.00 0.00 H new ATOM 0 HA LYS A 122 16.060 7.922 -13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.705 8.801 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 122 17.425 7.301 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 122 18.665 8.516 -12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.934 10.018 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 122 18.981 9.301 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.061 8.364 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 122 20.461 10.426 -12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.459 11.344 -11.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 21.780 11.632 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.012 10.851 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 21.983 9.961 -10.334 1.00 0.00 H new ATOM 953 N TYR A 123 14.623 7.007 -10.498 1.00 0.00 N ATOM 954 CA TYR A 123 14.026 6.117 -9.490 1.00 0.00 C ATOM 955 C TYR A 123 12.479 6.214 -9.408 1.00 0.00 C ATOM 956 O TYR A 123 11.836 5.301 -8.894 1.00 0.00 O ATOM 957 CB TYR A 123 14.850 6.728 -8.317 1.00 0.00 C ATOM 958 CG TYR A 123 16.400 6.485 -8.366 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.027 5.502 -9.152 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.204 7.384 -7.689 1.00 0.00 C ATOM 961 CE1 TYR A 123 18.401 5.545 -9.350 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.583 7.402 -7.856 1.00 0.00 C ATOM 963 CZ TYR A 123 19.192 6.474 -8.689 1.00 0.00 C ATOM 964 OH TYR A 123 20.526 6.562 -8.963 1.00 0.00 O ATOM 0 H TYR A 123 14.648 7.960 -10.136 1.00 0.00 H new ATOM 0 HA TYR A 123 14.089 5.036 -9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 123 14.671 7.803 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 123 14.468 6.322 -7.380 1.00 0.00 H new ATOM 0 HD1 TYR A 123 16.441 4.714 -9.601 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.747 8.091 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.862 4.844 -10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.181 8.138 -7.338 1.00 0.00 H new ATOM 0 HH TYR A 123 20.928 7.265 -8.411 1.00 0.00 H new ATOM 965 N CYS A 124 11.907 7.314 -9.944 1.00 0.00 N ATOM 966 CA CYS A 124 10.477 7.465 -10.255 1.00 0.00 C ATOM 967 C CYS A 124 10.243 7.300 -11.763 1.00 0.00 C ATOM 968 O CYS A 124 10.565 8.143 -12.600 1.00 0.00 O ATOM 969 CB CYS A 124 9.767 8.698 -9.699 1.00 0.00 C ATOM 970 SG CYS A 124 8.010 8.398 -9.504 1.00 0.00 S ATOM 971 OXT CYS A 124 9.637 6.106 -12.068 1.00 0.00 O ATOM 0 H CYS A 124 12.449 8.146 -10.178 1.00 0.00 H new ATOM 0 HA CYS A 124 9.997 6.657 -9.704 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.202 8.969 -8.737 1.00 0.00 H new ATOM 0 HB3 CYS A 124 9.923 9.544 -10.369 1.00 0.00 H new TER 972 CYS A 124 HETATM 973 CA CA A 125 1.650 5.153 -3.085 1.00 0.00 CA