USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 699 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 80 THR OG1 : rot 86:sc= 2.29 USER MOD Set 1.2: A 94 LYS NZ :NH3+ -151:sc= 2.11 (180deg=-0.106) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 140:sc= 2.61 (180deg=-0.838) USER MOD Set 2.2: A 58 HIS : no HE2:sc= 1.66 K(o=4.3,f=-9.3!) USER MOD Set 3.1: A 34 ASN : amide:sc= 0.701 K(o=2.3,f=-1.6) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 178:sc= 1.56 (180deg=1.19) USER MOD Set 4.1: A 33 ASN : amide:sc= -10.9! C(o=-17!,f=-17!) USER MOD Set 4.2: A 37 SER OG : rot -127:sc= -0.656! USER MOD Set 4.3: A 39 HIS : no HE2:sc= -5.52! C(o=-17!,f=-20!) USER MOD Set 5.1: A 2 ASN : amide:sc= 0.377 K(o=4,f=-3.6) USER MOD Set 5.2: A 4 THR OG1 : rot 180:sc= 0.777 USER MOD Set 5.3: A 30 LYS NZ :NH3+ -107:sc= 2.89 (180deg=0.434) USER MOD Single : A 1 ALA N :NH3+ -106:sc= 1.19 (180deg=-1.05) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0.136! (180deg=0.0834!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 62:sc= 1.14 USER MOD Single : A 11 SER OG : rot -27:sc= 0.831 USER MOD Single : A 19 SER OG : rot -62:sc= 1.21 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.000728 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 2.18 (180deg=2.12) USER MOD Single : A 40 ASN : amide:sc= 1.75 K(o=1.7,f=-7.7!) USER MOD Single : A 52 THR OG1 : rot -29:sc= 0.735 USER MOD Single : A 57 SER OG : rot 180:sc= 0.457 USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 1.06 (180deg=1.01) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 112:sc= 0.975 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 74 THR OG1 : rot -39:sc= 0.973 USER MOD Single : A 78 THR OG1 : rot 46:sc= 1.29 USER MOD Single : A 79 TYR OH : rot -2:sc= -1.02 USER MOD Single : A 81 TYR OH : rot 180:sc=-0.00363 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -169:sc= -3.59! USER MOD Single : A 86 HIS : no HE2:sc= 0.195 K(o=0.2,f=-0.82) USER MOD Single : A 91 MET CE :methyl 162:sc= 0 (180deg=-0.402) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.745 -1.352 -15.378 1.00 0.00 N ATOM 2 CA ALA A 1 2.857 -2.817 -15.492 1.00 0.00 C ATOM 3 C ALA A 1 3.318 -3.435 -14.176 1.00 0.00 C ATOM 4 O ALA A 1 4.273 -2.900 -13.631 1.00 0.00 O ATOM 5 CB ALA A 1 3.816 -3.194 -16.629 1.00 0.00 C ATOM 0 H1 ALA A 1 1.741 -1.083 -15.337 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.225 -1.033 -14.512 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.190 -0.904 -16.205 1.00 0.00 H new ATOM 0 HA ALA A 1 1.869 -3.215 -15.723 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.888 -4.279 -16.700 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.440 -2.793 -17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.803 -2.778 -16.426 1.00 0.00 H new ATOM 13 N ASN A 2 2.601 -4.443 -13.643 1.00 0.00 N ATOM 14 CA ASN A 2 2.875 -5.241 -12.414 1.00 0.00 C ATOM 15 C ASN A 2 3.865 -4.592 -11.413 1.00 0.00 C ATOM 16 O ASN A 2 5.078 -4.809 -11.486 1.00 0.00 O ATOM 17 CB ASN A 2 3.398 -6.613 -12.941 1.00 0.00 C ATOM 18 CG ASN A 2 3.897 -7.673 -11.946 1.00 0.00 C ATOM 19 OD1 ASN A 2 5.076 -7.791 -11.633 1.00 0.00 O ATOM 20 ND2 ASN A 2 3.035 -8.569 -11.513 1.00 0.00 N ATOM 0 H ASN A 2 1.740 -4.753 -14.093 1.00 0.00 H new ATOM 0 HA ASN A 2 1.966 -5.327 -11.819 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.595 -7.065 -13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 2 4.215 -6.406 -13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.353 -9.342 -10.929 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.049 -8.490 -11.762 1.00 0.00 H new ATOM 27 N ALA A 3 3.365 -3.793 -10.464 1.00 0.00 N ATOM 28 CA ALA A 3 4.225 -3.101 -9.504 1.00 0.00 C ATOM 29 C ALA A 3 4.663 -3.979 -8.312 1.00 0.00 C ATOM 30 O ALA A 3 3.989 -4.927 -7.922 1.00 0.00 O ATOM 31 CB ALA A 3 3.504 -1.835 -9.042 1.00 0.00 C ATOM 0 H ALA A 3 2.369 -3.611 -10.342 1.00 0.00 H new ATOM 0 HA ALA A 3 5.158 -2.844 -10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.128 -1.302 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.310 -1.193 -9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.559 -2.106 -8.571 1.00 0.00 H new ATOM 37 N THR A 4 5.776 -3.621 -7.675 1.00 0.00 N ATOM 38 CA THR A 4 6.326 -4.297 -6.504 1.00 0.00 C ATOM 39 C THR A 4 6.734 -3.156 -5.599 1.00 0.00 C ATOM 40 O THR A 4 7.449 -2.265 -6.055 1.00 0.00 O ATOM 41 CB THR A 4 7.516 -5.171 -6.911 1.00 0.00 C ATOM 42 OG1 THR A 4 7.129 -6.260 -7.724 1.00 0.00 O ATOM 43 CG2 THR A 4 8.282 -5.745 -5.716 1.00 0.00 C ATOM 0 H THR A 4 6.339 -2.824 -7.971 1.00 0.00 H new ATOM 0 HA THR A 4 5.626 -4.973 -6.013 1.00 0.00 H new ATOM 0 HB THR A 4 8.165 -4.493 -7.466 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.920 -6.789 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.112 -6.354 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.668 -4.929 -5.105 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.612 -6.361 -5.116 1.00 0.00 H new ATOM 51 N VAL A 5 6.241 -3.148 -4.361 1.00 0.00 N ATOM 52 CA VAL A 5 6.508 -2.087 -3.386 1.00 0.00 C ATOM 53 C VAL A 5 6.848 -2.634 -2.011 1.00 0.00 C ATOM 54 O VAL A 5 6.393 -3.699 -1.584 1.00 0.00 O ATOM 55 CB VAL A 5 5.354 -1.039 -3.372 1.00 0.00 C ATOM 56 CG1 VAL A 5 4.078 -1.410 -4.154 1.00 0.00 C ATOM 57 CG2 VAL A 5 5.034 -0.409 -2.006 1.00 0.00 C ATOM 0 H VAL A 5 5.637 -3.887 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 5 7.405 -1.558 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 5 5.819 -0.246 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.351 -0.602 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.327 -1.564 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.653 -2.326 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.216 0.303 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.742 -1.190 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.916 0.107 -1.628 1.00 0.00 H new ATOM 67 N LYS A 6 7.675 -1.850 -1.313 1.00 0.00 N ATOM 68 CA LYS A 6 8.176 -2.202 0.013 1.00 0.00 C ATOM 69 C LYS A 6 7.688 -1.189 1.038 1.00 0.00 C ATOM 70 O LYS A 6 7.956 -0.007 0.894 1.00 0.00 O ATOM 71 CB LYS A 6 9.717 -2.245 -0.008 1.00 0.00 C ATOM 72 CG LYS A 6 10.333 -3.072 -1.153 1.00 0.00 C ATOM 73 CD LYS A 6 11.799 -2.719 -1.417 1.00 0.00 C ATOM 74 CE LYS A 6 12.725 -2.930 -0.218 1.00 0.00 C ATOM 75 NZ LYS A 6 13.910 -2.065 -0.355 1.00 0.00 N ATOM 0 H LYS A 6 8.015 -0.951 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 6 7.800 -3.187 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.092 -1.224 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.067 -2.651 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.257 -4.132 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.755 -2.911 -2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.161 -3.321 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.859 -1.676 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.198 -2.699 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.029 -3.975 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.532 -2.195 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.426 -2.318 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.610 -1.071 -0.408 1.00 0.00 H new ATOM 89 N MET A 7 6.891 -1.626 2.003 1.00 0.00 N ATOM 90 CA MET A 7 6.353 -0.845 3.117 1.00 0.00 C ATOM 91 C MET A 7 7.510 -0.699 4.108 1.00 0.00 C ATOM 92 O MET A 7 8.012 -1.716 4.597 1.00 0.00 O ATOM 93 CB MET A 7 5.132 -1.579 3.685 1.00 0.00 C ATOM 94 CG MET A 7 3.953 -1.588 2.703 1.00 0.00 C ATOM 95 SD MET A 7 3.269 -3.225 2.348 1.00 0.00 S ATOM 96 CE MET A 7 2.654 -3.702 3.990 1.00 0.00 C ATOM 0 H MET A 7 6.581 -2.597 2.034 1.00 0.00 H new ATOM 0 HA MET A 7 5.998 0.148 2.839 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.408 -2.605 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.824 -1.102 4.616 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.159 -0.958 3.105 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.276 -1.134 1.766 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.202 -4.692 3.936 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.483 -3.720 4.698 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.908 -2.980 4.323 1.00 0.00 H new ATOM 106 N GLY A 8 7.913 0.539 4.421 1.00 0.00 N ATOM 107 CA GLY A 8 9.049 0.798 5.318 1.00 0.00 C ATOM 108 C GLY A 8 10.270 0.960 4.420 1.00 0.00 C ATOM 109 O GLY A 8 10.872 -0.040 4.009 1.00 0.00 O ATOM 0 H GLY A 8 7.466 1.383 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.880 1.697 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.187 -0.025 6.019 1.00 0.00 H new ATOM 113 N SER A 9 10.584 2.211 4.075 1.00 0.00 N ATOM 114 CA SER A 9 11.689 2.527 3.184 1.00 0.00 C ATOM 115 C SER A 9 13.019 1.993 3.716 1.00 0.00 C ATOM 116 O SER A 9 13.192 1.893 4.935 1.00 0.00 O ATOM 117 CB SER A 9 11.742 4.030 2.920 1.00 0.00 C ATOM 118 OG SER A 9 12.770 4.342 2.005 1.00 0.00 O ATOM 0 H SER A 9 10.075 3.030 4.409 1.00 0.00 H new ATOM 0 HA SER A 9 11.514 2.023 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.784 4.369 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.908 4.563 3.856 1.00 0.00 H new ATOM 0 HG SER A 9 12.593 3.898 1.150 1.00 0.00 H new ATOM 124 N ASP A 10 13.989 1.689 2.849 1.00 0.00 N ATOM 125 CA ASP A 10 15.279 1.127 3.287 1.00 0.00 C ATOM 126 C ASP A 10 16.051 1.998 4.306 1.00 0.00 C ATOM 127 O ASP A 10 16.920 1.477 5.003 1.00 0.00 O ATOM 128 CB ASP A 10 16.144 0.750 2.068 1.00 0.00 C ATOM 129 CG ASP A 10 15.776 -0.609 1.443 1.00 0.00 C ATOM 130 OD1 ASP A 10 15.019 -1.415 2.048 1.00 0.00 O ATOM 131 OD2 ASP A 10 16.245 -0.884 0.315 1.00 0.00 O ATOM 0 H ASP A 10 13.910 1.821 1.841 1.00 0.00 H new ATOM 0 HA ASP A 10 15.040 0.221 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.046 1.527 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.191 0.729 2.369 1.00 0.00 H new ATOM 136 N SER A 11 15.721 3.295 4.444 1.00 0.00 N ATOM 137 CA SER A 11 16.342 4.211 5.421 1.00 0.00 C ATOM 138 C SER A 11 15.747 4.048 6.829 1.00 0.00 C ATOM 139 O SER A 11 16.241 4.676 7.770 1.00 0.00 O ATOM 140 CB SER A 11 16.171 5.672 4.972 1.00 0.00 C ATOM 141 OG SER A 11 16.737 6.556 5.925 1.00 0.00 O ATOM 0 H SER A 11 15.005 3.744 3.872 1.00 0.00 H new ATOM 0 HA SER A 11 17.400 3.954 5.465 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.649 5.819 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.112 5.897 4.843 1.00 0.00 H new ATOM 0 HG SER A 11 16.713 6.140 6.812 1.00 0.00 H new ATOM 147 N GLY A 12 14.677 3.247 6.954 1.00 0.00 N ATOM 148 CA GLY A 12 13.958 2.982 8.193 1.00 0.00 C ATOM 149 C GLY A 12 12.843 3.981 8.489 1.00 0.00 C ATOM 150 O GLY A 12 12.491 4.182 9.645 1.00 0.00 O ATOM 0 H GLY A 12 14.279 2.750 6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.531 1.980 8.146 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.667 2.988 9.021 1.00 0.00 H new ATOM 154 N ALA A 13 12.300 4.599 7.441 1.00 0.00 N ATOM 155 CA ALA A 13 11.199 5.543 7.547 1.00 0.00 C ATOM 156 C ALA A 13 9.877 4.840 7.220 1.00 0.00 C ATOM 157 O ALA A 13 9.807 4.012 6.304 1.00 0.00 O ATOM 158 CB ALA A 13 11.464 6.715 6.598 1.00 0.00 C ATOM 0 H ALA A 13 12.620 4.453 6.484 1.00 0.00 H new ATOM 0 HA ALA A 13 11.123 5.927 8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.645 7.431 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.398 7.204 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.537 6.346 5.575 1.00 0.00 H new ATOM 164 N LEU A 14 8.822 5.183 7.975 1.00 0.00 N ATOM 165 CA LEU A 14 7.449 4.686 7.821 1.00 0.00 C ATOM 166 C LEU A 14 6.794 5.188 6.522 1.00 0.00 C ATOM 167 O LEU A 14 5.800 5.903 6.509 1.00 0.00 O ATOM 168 CB LEU A 14 6.593 4.995 9.076 1.00 0.00 C ATOM 169 CG LEU A 14 6.528 6.417 9.703 1.00 0.00 C ATOM 170 CD1 LEU A 14 7.507 6.552 10.872 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.722 7.617 8.767 1.00 0.00 C ATOM 0 H LEU A 14 8.909 5.846 8.745 1.00 0.00 H new ATOM 0 HA LEU A 14 7.503 3.601 7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.569 4.711 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.934 4.321 9.862 1.00 0.00 H new ATOM 0 HG LEU A 14 5.488 6.473 10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.439 7.556 11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.258 5.821 11.642 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.523 6.374 10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.651 8.541 9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.703 7.556 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.949 7.607 7.998 1.00 0.00 H new ATOM 183 N VAL A 15 7.355 4.791 5.388 1.00 0.00 N ATOM 184 CA VAL A 15 6.821 5.144 4.084 1.00 0.00 C ATOM 185 C VAL A 15 7.098 3.984 3.144 1.00 0.00 C ATOM 186 O VAL A 15 8.096 3.278 3.296 1.00 0.00 O ATOM 187 CB VAL A 15 7.464 6.465 3.604 1.00 0.00 C ATOM 188 CG1 VAL A 15 8.953 6.324 3.260 1.00 0.00 C ATOM 189 CG2 VAL A 15 6.724 7.068 2.409 1.00 0.00 C ATOM 0 H VAL A 15 8.195 4.214 5.349 1.00 0.00 H new ATOM 0 HA VAL A 15 5.745 5.314 4.120 1.00 0.00 H new ATOM 0 HB VAL A 15 7.378 7.141 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.343 7.287 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.501 5.994 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.074 5.591 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.213 7.995 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.740 6.363 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.691 7.277 2.688 1.00 0.00 H new ATOM 199 N PHE A 16 6.190 3.724 2.214 1.00 0.00 N ATOM 200 CA PHE A 16 6.321 2.698 1.197 1.00 0.00 C ATOM 201 C PHE A 16 7.109 3.204 -0.003 1.00 0.00 C ATOM 202 O PHE A 16 7.063 4.387 -0.333 1.00 0.00 O ATOM 203 CB PHE A 16 4.928 2.095 0.913 1.00 0.00 C ATOM 204 CG PHE A 16 3.707 2.967 1.119 1.00 0.00 C ATOM 205 CD1 PHE A 16 3.680 4.327 0.777 1.00 0.00 C ATOM 206 CD2 PHE A 16 2.645 2.418 1.860 1.00 0.00 C ATOM 207 CE1 PHE A 16 2.580 5.118 1.131 1.00 0.00 C ATOM 208 CE2 PHE A 16 1.566 3.211 2.260 1.00 0.00 C ATOM 209 CZ PHE A 16 1.527 4.559 1.879 1.00 0.00 C ATOM 0 H PHE A 16 5.313 4.241 2.147 1.00 0.00 H new ATOM 0 HA PHE A 16 6.931 1.864 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.920 1.752 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.815 1.212 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.509 4.765 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.664 1.371 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.540 6.155 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.771 2.789 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.684 5.172 2.161 1.00 0.00 H new ATOM 219 N GLU A 17 7.899 2.307 -0.600 1.00 0.00 N ATOM 220 CA GLU A 17 8.783 2.574 -1.731 1.00 0.00 C ATOM 221 C GLU A 17 8.469 1.635 -2.907 1.00 0.00 C ATOM 222 O GLU A 17 8.716 0.429 -2.812 1.00 0.00 O ATOM 223 CB GLU A 17 10.272 2.546 -1.290 1.00 0.00 C ATOM 224 CG GLU A 17 10.847 1.259 -0.677 1.00 0.00 C ATOM 225 CD GLU A 17 12.254 1.385 -0.059 1.00 0.00 C ATOM 226 OE1 GLU A 17 12.699 2.525 0.235 1.00 0.00 O ATOM 227 OE2 GLU A 17 12.826 0.310 0.252 1.00 0.00 O ATOM 0 H GLU A 17 7.939 1.335 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 17 8.598 3.584 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.877 2.793 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.415 3.347 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.161 0.908 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.877 0.492 -1.451 1.00 0.00 H new ATOM 234 N PRO A 18 7.864 2.159 -3.995 1.00 0.00 N ATOM 235 CA PRO A 18 7.428 3.548 -4.162 1.00 0.00 C ATOM 236 C PRO A 18 6.108 3.932 -3.463 1.00 0.00 C ATOM 237 O PRO A 18 5.161 3.149 -3.397 1.00 0.00 O ATOM 238 CB PRO A 18 7.319 3.763 -5.663 1.00 0.00 C ATOM 239 CG PRO A 18 6.973 2.373 -6.198 1.00 0.00 C ATOM 240 CD PRO A 18 7.769 1.457 -5.270 1.00 0.00 C ATOM 0 HA PRO A 18 8.158 4.194 -3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.547 4.492 -5.909 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.253 4.134 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.903 2.173 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.270 2.253 -7.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.270 0.495 -5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.759 1.254 -5.678 1.00 0.00 H new ATOM 248 N SER A 19 6.027 5.195 -3.015 1.00 0.00 N ATOM 249 CA SER A 19 4.897 5.804 -2.277 1.00 0.00 C ATOM 250 C SER A 19 3.812 6.413 -3.206 1.00 0.00 C ATOM 251 O SER A 19 2.830 7.033 -2.778 1.00 0.00 O ATOM 252 CB SER A 19 5.401 6.953 -1.371 1.00 0.00 C ATOM 253 OG SER A 19 6.764 6.837 -1.008 1.00 0.00 O ATOM 0 H SER A 19 6.787 5.859 -3.163 1.00 0.00 H new ATOM 0 HA SER A 19 4.458 4.989 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.251 7.902 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.795 6.982 -0.466 1.00 0.00 H new ATOM 0 HG SER A 19 6.895 6.017 -0.487 1.00 0.00 H new ATOM 259 N THR A 20 4.054 6.318 -4.508 1.00 0.00 N ATOM 260 CA THR A 20 3.246 6.802 -5.624 1.00 0.00 C ATOM 261 C THR A 20 3.562 5.856 -6.777 1.00 0.00 C ATOM 262 O THR A 20 4.737 5.639 -7.073 1.00 0.00 O ATOM 263 CB THR A 20 3.561 8.265 -5.974 1.00 0.00 C ATOM 264 OG1 THR A 20 3.721 9.048 -4.810 1.00 0.00 O ATOM 265 CG2 THR A 20 2.447 8.913 -6.795 1.00 0.00 C ATOM 0 H THR A 20 4.900 5.857 -4.842 1.00 0.00 H new ATOM 0 HA THR A 20 2.183 6.802 -5.382 1.00 0.00 H new ATOM 0 HB THR A 20 4.484 8.235 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.922 9.973 -5.063 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.714 9.946 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.314 8.363 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.517 8.893 -6.226 1.00 0.00 H new ATOM 273 N VAL A 21 2.548 5.262 -7.410 1.00 0.00 N ATOM 274 CA VAL A 21 2.766 4.286 -8.496 1.00 0.00 C ATOM 275 C VAL A 21 1.809 4.486 -9.668 1.00 0.00 C ATOM 276 O VAL A 21 0.753 5.094 -9.505 1.00 0.00 O ATOM 277 CB VAL A 21 2.738 2.856 -7.890 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.409 2.486 -7.220 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.080 1.746 -8.890 1.00 0.00 C ATOM 0 H VAL A 21 1.566 5.435 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 21 3.749 4.445 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 21 3.520 2.912 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.471 1.473 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.205 3.183 -6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.605 2.539 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.038 0.779 -8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.362 1.761 -9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.083 1.908 -9.284 1.00 0.00 H new ATOM 289 N THR A 22 2.200 3.981 -10.846 1.00 0.00 N ATOM 290 CA THR A 22 1.414 4.131 -12.066 1.00 0.00 C ATOM 291 C THR A 22 1.401 2.822 -12.882 1.00 0.00 C ATOM 292 O THR A 22 2.411 2.383 -13.440 1.00 0.00 O ATOM 293 CB THR A 22 1.911 5.386 -12.824 1.00 0.00 C ATOM 294 OG1 THR A 22 0.859 5.872 -13.616 1.00 0.00 O ATOM 295 CG2 THR A 22 3.149 5.213 -13.708 1.00 0.00 C ATOM 0 H THR A 22 3.067 3.460 -10.974 1.00 0.00 H new ATOM 0 HA THR A 22 0.362 4.305 -11.841 1.00 0.00 H new ATOM 0 HB THR A 22 2.225 6.078 -12.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.157 6.669 -14.102 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.393 6.164 -14.182 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.990 4.886 -13.096 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.946 4.466 -14.476 1.00 0.00 H new ATOM 303 N ILE A 23 0.244 2.160 -12.857 1.00 0.00 N ATOM 304 CA ILE A 23 -0.037 0.914 -13.587 1.00 0.00 C ATOM 305 C ILE A 23 -1.311 1.123 -14.412 1.00 0.00 C ATOM 306 O ILE A 23 -1.929 2.175 -14.289 1.00 0.00 O ATOM 307 CB ILE A 23 -0.211 -0.288 -12.612 1.00 0.00 C ATOM 308 CG1 ILE A 23 -1.326 -0.041 -11.569 1.00 0.00 C ATOM 309 CG2 ILE A 23 1.114 -0.664 -11.925 1.00 0.00 C ATOM 310 CD1 ILE A 23 -2.054 -1.352 -11.264 1.00 0.00 C ATOM 0 H ILE A 23 -0.554 2.484 -12.310 1.00 0.00 H new ATOM 0 HA ILE A 23 0.804 0.678 -14.239 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.522 -1.136 -13.222 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.896 0.368 -10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.032 0.698 -11.947 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.949 -1.507 -11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.850 -0.940 -12.680 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.483 0.188 -11.354 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.838 -1.170 -10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.499 -1.743 -12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.345 -2.078 -10.866 1.00 0.00 H new ATOM 322 N LYS A 24 -1.725 0.189 -15.279 1.00 0.00 N ATOM 323 CA LYS A 24 -2.977 0.361 -16.020 1.00 0.00 C ATOM 324 C LYS A 24 -3.859 -0.867 -15.884 1.00 0.00 C ATOM 325 O LYS A 24 -3.386 -1.990 -15.694 1.00 0.00 O ATOM 326 CB LYS A 24 -2.706 0.813 -17.483 1.00 0.00 C ATOM 327 CG LYS A 24 -2.310 -0.179 -18.570 1.00 0.00 C ATOM 328 CD LYS A 24 -3.515 -0.924 -19.180 1.00 0.00 C ATOM 329 CE LYS A 24 -3.180 -2.375 -19.505 1.00 0.00 C ATOM 330 NZ LYS A 24 -2.997 -3.179 -18.282 1.00 0.00 N ATOM 0 H LYS A 24 -1.222 -0.675 -15.480 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.551 1.175 -15.578 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.608 1.317 -17.830 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.918 1.565 -17.440 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.780 0.351 -19.361 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.614 -0.907 -18.153 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.352 -0.892 -18.483 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.836 -0.413 -20.088 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.979 -2.807 -20.108 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.271 -2.413 -20.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.905 -4.183 -18.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.137 -2.867 -17.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.820 -3.054 -17.658 1.00 0.00 H new ATOM 344 N ALA A 25 -5.165 -0.604 -15.991 1.00 0.00 N ATOM 345 CA ALA A 25 -6.287 -1.521 -15.863 1.00 0.00 C ATOM 346 C ALA A 25 -5.948 -3.003 -16.154 1.00 0.00 C ATOM 347 O ALA A 25 -5.541 -3.363 -17.265 1.00 0.00 O ATOM 348 CB ALA A 25 -7.438 -1.003 -16.735 1.00 0.00 C ATOM 0 H ALA A 25 -5.486 0.344 -16.187 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.585 -1.534 -14.815 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.290 -1.678 -16.652 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.730 -0.008 -16.399 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.113 -0.954 -17.774 1.00 0.00 H new ATOM 354 N GLY A 26 -6.065 -3.844 -15.120 1.00 0.00 N ATOM 355 CA GLY A 26 -5.774 -5.278 -15.145 1.00 0.00 C ATOM 356 C GLY A 26 -4.461 -5.643 -14.449 1.00 0.00 C ATOM 357 O GLY A 26 -4.244 -6.809 -14.123 1.00 0.00 O ATOM 0 H GLY A 26 -6.379 -3.527 -14.203 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.592 -5.816 -14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.734 -5.615 -16.181 1.00 0.00 H new ATOM 361 N GLU A 27 -3.552 -4.681 -14.270 1.00 0.00 N ATOM 362 CA GLU A 27 -2.283 -4.894 -13.573 1.00 0.00 C ATOM 363 C GLU A 27 -2.477 -4.873 -12.062 1.00 0.00 C ATOM 364 O GLU A 27 -3.496 -4.421 -11.531 1.00 0.00 O ATOM 365 CB GLU A 27 -1.290 -3.802 -13.953 1.00 0.00 C ATOM 366 CG GLU A 27 -0.738 -4.060 -15.347 1.00 0.00 C ATOM 367 CD GLU A 27 -0.401 -2.753 -16.039 1.00 0.00 C ATOM 368 OE1 GLU A 27 0.150 -1.833 -15.391 1.00 0.00 O ATOM 369 OE2 GLU A 27 -0.614 -2.716 -17.264 1.00 0.00 O ATOM 0 H GLU A 27 -3.678 -3.727 -14.607 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.901 -5.871 -13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.779 -2.828 -13.921 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.475 -3.773 -13.230 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.154 -4.683 -15.281 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.470 -4.612 -15.937 1.00 0.00 H new ATOM 376 N GLU A 28 -1.439 -5.310 -11.346 1.00 0.00 N ATOM 377 CA GLU A 28 -1.509 -5.393 -9.896 1.00 0.00 C ATOM 378 C GLU A 28 -0.402 -4.550 -9.273 1.00 0.00 C ATOM 379 O GLU A 28 0.402 -3.893 -9.952 1.00 0.00 O ATOM 380 CB GLU A 28 -1.377 -6.889 -9.510 1.00 0.00 C ATOM 381 CG GLU A 28 -0.062 -7.471 -8.992 1.00 0.00 C ATOM 382 CD GLU A 28 1.085 -7.031 -9.867 1.00 0.00 C ATOM 383 OE1 GLU A 28 0.892 -7.107 -11.102 1.00 0.00 O ATOM 384 OE2 GLU A 28 2.158 -6.697 -9.311 1.00 0.00 O ATOM 0 H GLU A 28 -0.550 -5.608 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.455 -5.002 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.132 -7.087 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.654 -7.468 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.109 -7.145 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.119 -8.559 -8.976 1.00 0.00 H new ATOM 391 N VAL A 29 -0.390 -4.597 -7.945 1.00 0.00 N ATOM 392 CA VAL A 29 0.584 -3.937 -7.117 1.00 0.00 C ATOM 393 C VAL A 29 0.900 -4.910 -5.975 1.00 0.00 C ATOM 394 O VAL A 29 0.066 -5.071 -5.082 1.00 0.00 O ATOM 395 CB VAL A 29 -0.024 -2.623 -6.619 1.00 0.00 C ATOM 396 CG1 VAL A 29 0.973 -1.848 -5.755 1.00 0.00 C ATOM 397 CG2 VAL A 29 -0.522 -1.667 -7.722 1.00 0.00 C ATOM 0 H VAL A 29 -1.086 -5.115 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 29 1.506 -3.687 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.895 -2.945 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.515 -0.919 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.253 -2.452 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.863 -1.620 -6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.934 -0.767 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.310 -1.396 -8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.295 -2.161 -8.310 1.00 0.00 H new ATOM 407 N LYS A 30 2.023 -5.647 -5.998 1.00 0.00 N ATOM 408 CA LYS A 30 2.356 -6.539 -4.885 1.00 0.00 C ATOM 409 C LYS A 30 3.152 -5.687 -3.889 1.00 0.00 C ATOM 410 O LYS A 30 4.151 -5.068 -4.254 1.00 0.00 O ATOM 411 CB LYS A 30 3.075 -7.801 -5.405 1.00 0.00 C ATOM 412 CG LYS A 30 4.536 -7.629 -5.841 1.00 0.00 C ATOM 413 CD LYS A 30 5.038 -8.732 -6.785 1.00 0.00 C ATOM 414 CE LYS A 30 4.433 -8.665 -8.197 1.00 0.00 C ATOM 415 NZ LYS A 30 4.732 -7.392 -8.892 1.00 0.00 N ATOM 0 H LYS A 30 2.701 -5.642 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 30 1.483 -6.938 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.040 -8.560 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.510 -8.190 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.646 -6.664 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.169 -7.607 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.123 -8.665 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.809 -9.704 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.815 -9.496 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.352 -8.792 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.873 -6.807 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.476 -6.881 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.058 -7.593 -9.859 1.00 0.00 H new ATOM 429 N TRP A 31 2.693 -5.596 -2.637 1.00 0.00 N ATOM 430 CA TRP A 31 3.360 -4.859 -1.563 1.00 0.00 C ATOM 431 C TRP A 31 3.613 -5.621 -0.262 1.00 0.00 C ATOM 432 O TRP A 31 2.709 -6.167 0.375 1.00 0.00 O ATOM 433 CB TRP A 31 2.670 -3.492 -1.419 1.00 0.00 C ATOM 434 CG TRP A 31 1.239 -3.151 -1.743 1.00 0.00 C ATOM 435 CD1 TRP A 31 0.238 -3.880 -2.299 1.00 0.00 C ATOM 436 CD2 TRP A 31 0.824 -1.774 -1.905 1.00 0.00 C ATOM 437 NE1 TRP A 31 -0.737 -3.034 -2.812 1.00 0.00 N ATOM 438 CE2 TRP A 31 -0.414 -1.715 -2.605 1.00 0.00 C ATOM 439 CE3 TRP A 31 1.491 -0.568 -1.633 1.00 0.00 C ATOM 440 CZ2 TRP A 31 -0.988 -0.502 -3.006 1.00 0.00 C ATOM 441 CZ3 TRP A 31 0.967 0.647 -2.086 1.00 0.00 C ATOM 442 CH2 TRP A 31 -0.280 0.688 -2.747 1.00 0.00 C ATOM 0 H TRP A 31 1.827 -6.044 -2.337 1.00 0.00 H new ATOM 0 HA TRP A 31 4.397 -4.700 -1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.803 -3.212 -0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.271 -2.803 -2.012 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.205 -4.959 -2.337 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.585 -3.352 -3.282 1.00 0.00 H new ATOM 0 HE3 TRP A 31 2.413 -0.579 -1.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.948 -0.480 -3.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.520 1.561 -1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.693 1.637 -3.056 1.00 0.00 H new ATOM 453 N VAL A 32 4.923 -5.643 0.059 1.00 0.00 N ATOM 454 CA VAL A 32 5.588 -6.325 1.182 1.00 0.00 C ATOM 455 C VAL A 32 6.101 -5.410 2.289 1.00 0.00 C ATOM 456 O VAL A 32 6.562 -4.307 2.037 1.00 0.00 O ATOM 457 CB VAL A 32 6.771 -7.129 0.588 1.00 0.00 C ATOM 458 CG1 VAL A 32 7.460 -8.065 1.600 1.00 0.00 C ATOM 459 CG2 VAL A 32 6.420 -7.989 -0.646 1.00 0.00 C ATOM 0 H VAL A 32 5.600 -5.138 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 32 4.840 -6.952 1.667 1.00 0.00 H new ATOM 0 HB VAL A 32 7.447 -6.328 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.278 -8.593 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.854 -7.477 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.737 -8.788 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.312 -8.514 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.653 -8.715 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.048 -7.346 -1.444 1.00 0.00 H new ATOM 469 N ASN A 33 6.092 -5.949 3.503 1.00 0.00 N ATOM 470 CA ASN A 33 6.541 -5.426 4.791 1.00 0.00 C ATOM 471 C ASN A 33 8.079 -5.496 4.878 1.00 0.00 C ATOM 472 O ASN A 33 8.637 -6.593 4.873 1.00 0.00 O ATOM 473 CB ASN A 33 5.833 -6.324 5.810 1.00 0.00 C ATOM 474 CG ASN A 33 6.180 -6.163 7.260 1.00 0.00 C ATOM 475 OD1 ASN A 33 7.323 -6.011 7.636 1.00 0.00 O ATOM 476 ND2 ASN A 33 5.210 -6.287 8.134 1.00 0.00 N ATOM 0 H ASN A 33 5.719 -6.891 3.623 1.00 0.00 H new ATOM 0 HA ASN A 33 6.300 -4.377 4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.760 -6.164 5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.030 -7.360 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.416 -6.256 9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.250 -6.415 7.815 1.00 0.00 H new ATOM 483 N ASN A 34 8.780 -4.362 4.974 1.00 0.00 N ATOM 484 CA ASN A 34 10.246 -4.292 5.033 1.00 0.00 C ATOM 485 C ASN A 34 10.786 -3.404 6.163 1.00 0.00 C ATOM 486 O ASN A 34 11.907 -3.680 6.607 1.00 0.00 O ATOM 487 CB ASN A 34 10.783 -3.868 3.650 1.00 0.00 C ATOM 488 CG ASN A 34 12.295 -3.604 3.578 1.00 0.00 C ATOM 489 OD1 ASN A 34 13.152 -4.430 3.861 1.00 0.00 O ATOM 490 ND2 ASN A 34 12.687 -2.394 3.211 1.00 0.00 N ATOM 0 H ASN A 34 8.335 -3.445 5.014 1.00 0.00 H new ATOM 0 HA ASN A 34 10.615 -5.287 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.533 -4.646 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.259 -2.964 3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.681 -2.171 3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.995 -1.685 2.969 1.00 0.00 H new ATOM 497 N LYS A 35 10.080 -2.368 6.652 1.00 0.00 N ATOM 498 CA LYS A 35 10.659 -1.587 7.766 1.00 0.00 C ATOM 499 C LYS A 35 9.681 -0.801 8.639 1.00 0.00 C ATOM 500 O LYS A 35 8.560 -0.465 8.269 1.00 0.00 O ATOM 501 CB LYS A 35 11.805 -0.681 7.238 1.00 0.00 C ATOM 502 CG LYS A 35 13.149 -0.974 7.942 1.00 0.00 C ATOM 503 CD LYS A 35 14.403 -0.653 7.104 1.00 0.00 C ATOM 504 CE LYS A 35 14.481 -1.393 5.760 1.00 0.00 C ATOM 505 NZ LYS A 35 14.392 -2.865 5.897 1.00 0.00 N ATOM 0 H LYS A 35 9.165 -2.063 6.321 1.00 0.00 H new ATOM 0 HA LYS A 35 11.046 -2.338 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.919 -0.830 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.538 0.365 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.191 -0.399 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.175 -2.028 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.433 0.420 6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.288 -0.898 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.675 -1.046 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.418 -1.137 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.417 -3.304 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.195 -3.210 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.502 -3.116 6.373 1.00 0.00 H new ATOM 519 N LEU A 36 10.202 -0.491 9.828 1.00 0.00 N ATOM 520 CA LEU A 36 9.558 0.209 10.934 1.00 0.00 C ATOM 521 C LEU A 36 8.171 -0.368 11.232 1.00 0.00 C ATOM 522 O LEU A 36 7.172 0.332 11.338 1.00 0.00 O ATOM 523 CB LEU A 36 9.616 1.725 10.638 1.00 0.00 C ATOM 524 CG LEU A 36 9.135 2.664 11.765 1.00 0.00 C ATOM 525 CD1 LEU A 36 9.516 2.211 13.177 1.00 0.00 C ATOM 526 CD2 LEU A 36 9.746 4.046 11.517 1.00 0.00 C ATOM 0 H LEU A 36 11.163 -0.745 10.057 1.00 0.00 H new ATOM 0 HA LEU A 36 10.089 0.055 11.873 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.645 1.986 10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.016 1.923 9.750 1.00 0.00 H new ATOM 0 HG LEU A 36 8.046 2.666 11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.138 2.930 13.904 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.081 1.231 13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.601 2.149 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.423 4.732 12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.833 3.970 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.417 4.420 10.548 1.00 0.00 H new ATOM 538 N SER A 37 8.159 -1.698 11.352 1.00 0.00 N ATOM 539 CA SER A 37 6.962 -2.474 11.679 1.00 0.00 C ATOM 540 C SER A 37 6.324 -1.975 12.989 1.00 0.00 C ATOM 541 O SER A 37 7.043 -1.714 13.962 1.00 0.00 O ATOM 542 CB SER A 37 7.285 -3.977 11.777 1.00 0.00 C ATOM 543 OG SER A 37 6.172 -4.762 11.451 1.00 0.00 O ATOM 0 H SER A 37 8.992 -2.273 11.223 1.00 0.00 H new ATOM 0 HA SER A 37 6.244 -2.332 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.110 -4.218 11.107 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.616 -4.214 12.788 1.00 0.00 H new ATOM 0 HG SER A 37 6.007 -5.410 12.168 1.00 0.00 H new ATOM 549 N PRO A 38 4.980 -1.912 13.066 1.00 0.00 N ATOM 550 CA PRO A 38 4.002 -2.307 12.045 1.00 0.00 C ATOM 551 C PRO A 38 3.818 -1.318 10.872 1.00 0.00 C ATOM 552 O PRO A 38 4.198 -0.146 10.868 1.00 0.00 O ATOM 553 CB PRO A 38 2.703 -2.509 12.828 1.00 0.00 C ATOM 554 CG PRO A 38 2.804 -1.451 13.924 1.00 0.00 C ATOM 555 CD PRO A 38 4.289 -1.485 14.275 1.00 0.00 C ATOM 0 HA PRO A 38 4.350 -3.202 11.529 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.824 -2.359 12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.632 -3.515 13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.492 -0.468 13.570 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.178 -1.694 14.782 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.636 -0.503 14.596 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.479 -2.175 15.097 1.00 0.00 H new ATOM 563 N HIS A 39 3.165 -1.898 9.872 1.00 0.00 N ATOM 564 CA HIS A 39 2.712 -1.394 8.587 1.00 0.00 C ATOM 565 C HIS A 39 1.384 -1.999 8.181 1.00 0.00 C ATOM 566 O HIS A 39 0.879 -2.883 8.859 1.00 0.00 O ATOM 567 CB HIS A 39 3.819 -1.500 7.517 1.00 0.00 C ATOM 568 CG HIS A 39 4.894 -2.557 7.562 1.00 0.00 C ATOM 569 ND1 HIS A 39 5.224 -3.365 8.624 1.00 0.00 N ATOM 570 CD2 HIS A 39 6.063 -2.345 6.887 1.00 0.00 C ATOM 571 CE1 HIS A 39 6.547 -3.570 8.590 1.00 0.00 C ATOM 572 NE2 HIS A 39 7.100 -3.016 7.513 1.00 0.00 N ATOM 0 H HIS A 39 2.905 -2.880 9.963 1.00 0.00 H new ATOM 0 HA HIS A 39 2.512 -0.327 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.315 -1.610 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.330 -0.537 7.501 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.576 -3.742 9.316 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.163 -1.743 5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.097 -4.116 9.342 1.00 0.00 H new ATOM 580 N ASN A 40 0.750 -1.471 7.129 1.00 0.00 N ATOM 581 CA ASN A 40 -0.570 -1.866 6.619 1.00 0.00 C ATOM 582 C ASN A 40 -0.788 -1.237 5.236 1.00 0.00 C ATOM 583 O ASN A 40 0.071 -0.484 4.786 1.00 0.00 O ATOM 584 CB ASN A 40 -1.558 -1.351 7.698 1.00 0.00 C ATOM 585 CG ASN A 40 -3.046 -1.322 7.430 1.00 0.00 C ATOM 586 OD1 ASN A 40 -3.628 -0.261 7.384 1.00 0.00 O ATOM 587 ND2 ASN A 40 -3.707 -2.448 7.307 1.00 0.00 N ATOM 0 H ASN A 40 1.164 -0.717 6.581 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.697 -2.938 6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.404 -1.958 8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.257 -0.334 7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.718 -2.434 7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.210 -3.338 7.347 1.00 0.00 H new ATOM 594 N ILE A 41 -1.903 -1.581 4.585 1.00 0.00 N ATOM 595 CA ILE A 41 -2.318 -1.061 3.292 1.00 0.00 C ATOM 596 C ILE A 41 -3.846 -0.980 3.243 1.00 0.00 C ATOM 597 O ILE A 41 -4.507 -1.954 2.897 1.00 0.00 O ATOM 598 CB ILE A 41 -1.766 -1.858 2.083 1.00 0.00 C ATOM 599 CG1 ILE A 41 -0.220 -1.787 1.952 1.00 0.00 C ATOM 600 CG2 ILE A 41 -2.411 -1.166 0.839 1.00 0.00 C ATOM 601 CD1 ILE A 41 0.379 -0.407 1.628 1.00 0.00 C ATOM 0 H ILE A 41 -2.564 -2.258 4.966 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.885 -0.065 3.198 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.005 -2.916 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.218 -2.138 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.089 -2.484 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.076 -1.666 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.497 -1.230 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.111 -0.119 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.464 -0.488 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.017 -0.053 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.115 0.298 2.416 1.00 0.00 H new ATOM 613 N VAL A 42 -4.413 0.185 3.576 1.00 0.00 N ATOM 614 CA VAL A 42 -5.858 0.466 3.543 1.00 0.00 C ATOM 615 C VAL A 42 -6.215 1.570 2.540 1.00 0.00 C ATOM 616 O VAL A 42 -5.842 2.727 2.721 1.00 0.00 O ATOM 617 CB VAL A 42 -6.438 0.802 4.922 1.00 0.00 C ATOM 618 CG1 VAL A 42 -6.596 -0.496 5.706 1.00 0.00 C ATOM 619 CG2 VAL A 42 -5.695 1.843 5.763 1.00 0.00 C ATOM 0 H VAL A 42 -3.863 0.986 3.886 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.318 -0.464 3.210 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.390 1.291 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.008 -0.278 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.270 -1.165 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.623 -0.975 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.214 1.982 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.678 1.499 5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.663 2.790 5.224 1.00 0.00 H new ATOM 629 N PHE A 43 -6.909 1.236 1.443 1.00 0.00 N ATOM 630 CA PHE A 43 -7.351 2.203 0.447 1.00 0.00 C ATOM 631 C PHE A 43 -8.498 3.019 1.047 1.00 0.00 C ATOM 632 O PHE A 43 -9.432 2.455 1.637 1.00 0.00 O ATOM 633 CB PHE A 43 -7.764 1.550 -0.881 1.00 0.00 C ATOM 634 CG PHE A 43 -6.611 1.382 -1.853 1.00 0.00 C ATOM 635 CD1 PHE A 43 -6.316 2.413 -2.763 1.00 0.00 C ATOM 636 CD2 PHE A 43 -5.825 0.217 -1.851 1.00 0.00 C ATOM 637 CE1 PHE A 43 -5.241 2.281 -3.656 1.00 0.00 C ATOM 638 CE2 PHE A 43 -4.770 0.065 -2.765 1.00 0.00 C ATOM 639 CZ PHE A 43 -4.465 1.108 -3.650 1.00 0.00 C ATOM 0 H PHE A 43 -7.178 0.276 1.227 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.513 2.854 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.202 0.573 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.540 2.156 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.919 3.309 -2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.034 -0.569 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.010 3.079 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.197 -0.850 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.631 1.011 -4.330 1.00 0.00 H new ATOM 649 N ALA A 44 -8.394 4.341 0.907 1.00 0.00 N ATOM 650 CA ALA A 44 -9.316 5.346 1.423 1.00 0.00 C ATOM 651 C ALA A 44 -10.753 5.273 0.889 1.00 0.00 C ATOM 652 O ALA A 44 -11.584 6.044 1.374 1.00 0.00 O ATOM 653 CB ALA A 44 -8.720 6.730 1.137 1.00 0.00 C ATOM 0 H ALA A 44 -7.616 4.761 0.399 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.418 5.147 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.392 7.501 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.753 6.819 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.591 6.855 0.062 1.00 0.00 H new ATOM 659 N ALA A 45 -11.058 4.361 -0.049 1.00 0.00 N ATOM 660 CA ALA A 45 -12.373 4.222 -0.662 1.00 0.00 C ATOM 661 C ALA A 45 -12.783 5.546 -1.316 1.00 0.00 C ATOM 662 O ALA A 45 -13.862 6.076 -1.050 1.00 0.00 O ATOM 663 CB ALA A 45 -13.366 3.675 0.377 1.00 0.00 C ATOM 0 H ALA A 45 -10.377 3.690 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.360 3.492 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -14.350 3.571 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.024 2.702 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.428 4.364 1.219 1.00 0.00 H new ATOM 669 N ASP A 46 -11.888 6.072 -2.173 1.00 0.00 N ATOM 670 CA ASP A 46 -12.040 7.297 -2.961 1.00 0.00 C ATOM 671 C ASP A 46 -13.451 7.375 -3.592 1.00 0.00 C ATOM 672 O ASP A 46 -14.000 8.473 -3.676 1.00 0.00 O ATOM 673 CB ASP A 46 -10.899 7.418 -3.997 1.00 0.00 C ATOM 674 CG ASP A 46 -9.557 7.982 -3.477 1.00 0.00 C ATOM 675 OD1 ASP A 46 -8.917 7.442 -2.539 1.00 0.00 O ATOM 676 OD2 ASP A 46 -9.044 8.934 -4.105 1.00 0.00 O ATOM 0 H ASP A 46 -10.988 5.622 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.955 8.161 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.714 6.430 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.244 8.054 -4.813 1.00 0.00 H new ATOM 681 N GLY A 47 -14.042 6.238 -4.021 1.00 0.00 N ATOM 682 CA GLY A 47 -15.407 6.208 -4.575 1.00 0.00 C ATOM 683 C GLY A 47 -15.645 5.408 -5.847 1.00 0.00 C ATOM 684 O GLY A 47 -16.790 5.036 -6.120 1.00 0.00 O ATOM 0 H GLY A 47 -13.588 5.325 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.071 5.816 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.713 7.237 -4.766 1.00 0.00 H new ATOM 688 N VAL A 48 -14.585 5.155 -6.620 1.00 0.00 N ATOM 689 CA VAL A 48 -14.680 4.352 -7.852 1.00 0.00 C ATOM 690 C VAL A 48 -13.972 3.007 -7.702 1.00 0.00 C ATOM 691 O VAL A 48 -14.316 2.042 -8.376 1.00 0.00 O ATOM 692 CB VAL A 48 -14.169 5.112 -9.098 1.00 0.00 C ATOM 693 CG1 VAL A 48 -15.021 6.365 -9.353 1.00 0.00 C ATOM 694 CG2 VAL A 48 -12.680 5.498 -9.029 1.00 0.00 C ATOM 0 H VAL A 48 -13.645 5.495 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.741 4.159 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.269 4.414 -9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -14.646 6.887 -10.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.058 6.072 -9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.964 7.026 -8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.399 6.027 -9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.511 6.143 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.075 4.597 -8.932 1.00 0.00 H new ATOM 704 N ASP A 49 -13.016 2.958 -6.778 1.00 0.00 N ATOM 705 CA ASP A 49 -12.193 1.836 -6.367 1.00 0.00 C ATOM 706 C ASP A 49 -12.934 0.812 -5.496 1.00 0.00 C ATOM 707 O ASP A 49 -13.663 1.152 -4.560 1.00 0.00 O ATOM 708 CB ASP A 49 -10.972 2.396 -5.615 1.00 0.00 C ATOM 709 CG ASP A 49 -11.315 3.296 -4.417 1.00 0.00 C ATOM 710 OD1 ASP A 49 -12.107 4.254 -4.610 1.00 0.00 O ATOM 711 OD2 ASP A 49 -10.752 3.054 -3.323 1.00 0.00 O ATOM 0 H ASP A 49 -12.778 3.795 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.895 1.291 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.364 1.562 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.360 2.964 -6.315 1.00 0.00 H new ATOM 716 N ALA A 50 -12.748 -0.470 -5.821 1.00 0.00 N ATOM 717 CA ALA A 50 -13.305 -1.600 -5.099 1.00 0.00 C ATOM 718 C ALA A 50 -12.332 -1.878 -3.958 1.00 0.00 C ATOM 719 O ALA A 50 -11.680 -2.923 -3.878 1.00 0.00 O ATOM 720 CB ALA A 50 -13.531 -2.781 -6.051 1.00 0.00 C ATOM 0 H ALA A 50 -12.185 -0.752 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.292 -1.403 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.949 -3.621 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.224 -2.486 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.581 -3.077 -6.496 1.00 0.00 H new ATOM 726 N ASP A 51 -12.251 -0.880 -3.070 1.00 0.00 N ATOM 727 CA ASP A 51 -11.386 -0.811 -1.896 1.00 0.00 C ATOM 728 C ASP A 51 -11.251 -2.162 -1.178 1.00 0.00 C ATOM 729 O ASP A 51 -10.143 -2.661 -0.958 1.00 0.00 O ATOM 730 CB ASP A 51 -11.855 0.323 -0.953 1.00 0.00 C ATOM 731 CG ASP A 51 -13.165 0.018 -0.206 1.00 0.00 C ATOM 732 OD1 ASP A 51 -14.055 -0.591 -0.839 1.00 0.00 O ATOM 733 OD2 ASP A 51 -13.237 0.288 1.018 1.00 0.00 O ATOM 0 H ASP A 51 -12.829 -0.045 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.379 -0.569 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.071 0.521 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.986 1.235 -1.536 1.00 0.00 H new ATOM 738 N THR A 52 -12.406 -2.775 -0.893 1.00 0.00 N ATOM 739 CA THR A 52 -12.646 -4.057 -0.221 1.00 0.00 C ATOM 740 C THR A 52 -11.976 -5.278 -0.861 1.00 0.00 C ATOM 741 O THR A 52 -12.050 -6.367 -0.288 1.00 0.00 O ATOM 742 CB THR A 52 -14.168 -4.288 -0.149 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.450 -5.464 0.571 1.00 0.00 O ATOM 744 CG2 THR A 52 -14.833 -4.428 -1.525 1.00 0.00 C ATOM 0 H THR A 52 -13.289 -2.338 -1.156 1.00 0.00 H new ATOM 0 HA THR A 52 -12.186 -3.971 0.764 1.00 0.00 H new ATOM 0 HB THR A 52 -14.571 -3.403 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.706 -6.094 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.904 -4.588 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.669 -3.518 -2.103 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.400 -5.277 -2.054 1.00 0.00 H new ATOM 752 N ALA A 53 -11.399 -5.114 -2.050 1.00 0.00 N ATOM 753 CA ALA A 53 -10.670 -6.120 -2.813 1.00 0.00 C ATOM 754 C ALA A 53 -9.278 -5.603 -3.219 1.00 0.00 C ATOM 755 O ALA A 53 -8.486 -6.359 -3.777 1.00 0.00 O ATOM 756 CB ALA A 53 -11.510 -6.485 -4.045 1.00 0.00 C ATOM 0 H ALA A 53 -11.431 -4.217 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.509 -7.008 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.985 -7.238 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.473 -6.882 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.669 -5.595 -4.654 1.00 0.00 H new ATOM 762 N ALA A 54 -8.975 -4.333 -2.913 1.00 0.00 N ATOM 763 CA ALA A 54 -7.757 -3.610 -3.231 1.00 0.00 C ATOM 764 C ALA A 54 -6.877 -3.307 -2.012 1.00 0.00 C ATOM 765 O ALA A 54 -5.731 -2.912 -2.195 1.00 0.00 O ATOM 766 CB ALA A 54 -8.190 -2.308 -3.913 1.00 0.00 C ATOM 0 H ALA A 54 -9.633 -3.749 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.136 -4.232 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.308 -1.723 -4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.752 -2.541 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.818 -1.733 -3.233 1.00 0.00 H new ATOM 772 N LYS A 55 -7.371 -3.520 -0.781 1.00 0.00 N ATOM 773 CA LYS A 55 -6.685 -3.236 0.487 1.00 0.00 C ATOM 774 C LYS A 55 -6.698 -4.401 1.490 1.00 0.00 C ATOM 775 O LYS A 55 -7.451 -5.355 1.323 1.00 0.00 O ATOM 776 CB LYS A 55 -7.364 -1.965 1.001 1.00 0.00 C ATOM 777 CG LYS A 55 -8.604 -2.151 1.905 1.00 0.00 C ATOM 778 CD LYS A 55 -9.300 -0.798 2.136 1.00 0.00 C ATOM 779 CE LYS A 55 -10.744 -0.919 2.620 1.00 0.00 C ATOM 780 NZ LYS A 55 -11.325 0.425 2.856 1.00 0.00 N ATOM 0 H LYS A 55 -8.302 -3.913 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.614 -3.096 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.625 -1.386 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.659 -1.366 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.299 -2.852 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.305 -2.583 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.729 -0.227 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.285 -0.230 1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.339 -1.454 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.778 -1.503 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.310 0.440 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.299 0.641 3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.773 1.138 2.337 1.00 0.00 H new ATOM 794 N LEU A 56 -5.866 -4.294 2.534 1.00 0.00 N ATOM 795 CA LEU A 56 -5.719 -5.270 3.611 1.00 0.00 C ATOM 796 C LEU A 56 -6.937 -5.290 4.536 1.00 0.00 C ATOM 797 O LEU A 56 -7.717 -6.237 4.500 1.00 0.00 O ATOM 798 CB LEU A 56 -4.448 -4.990 4.449 1.00 0.00 C ATOM 799 CG LEU A 56 -3.163 -5.688 3.985 1.00 0.00 C ATOM 800 CD1 LEU A 56 -1.990 -5.252 4.870 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.319 -7.209 4.111 1.00 0.00 C ATOM 0 H LEU A 56 -5.252 -3.488 2.652 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.630 -6.246 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.271 -3.914 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.645 -5.285 5.480 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.975 -5.416 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.079 -5.750 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.861 -4.172 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.195 -5.524 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.403 -7.697 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.514 -7.470 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.152 -7.542 3.492 1.00 0.00 H new ATOM 813 N SER A 57 -7.082 -4.244 5.355 1.00 0.00 N ATOM 814 CA SER A 57 -8.124 -4.036 6.365 1.00 0.00 C ATOM 815 C SER A 57 -7.615 -3.037 7.390 1.00 0.00 C ATOM 816 O SER A 57 -6.420 -2.983 7.676 1.00 0.00 O ATOM 817 CB SER A 57 -8.545 -5.340 7.068 1.00 0.00 C ATOM 818 OG SER A 57 -9.232 -5.063 8.274 1.00 0.00 O ATOM 0 H SER A 57 -6.426 -3.463 5.327 1.00 0.00 H new ATOM 0 HA SER A 57 -9.011 -3.656 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.184 -5.925 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.664 -5.946 7.278 1.00 0.00 H new ATOM 0 HG SER A 57 -9.492 -5.905 8.703 1.00 0.00 H new ATOM 824 N HIS A 58 -8.534 -2.270 7.972 1.00 0.00 N ATOM 825 CA HIS A 58 -8.242 -1.288 9.010 1.00 0.00 C ATOM 826 C HIS A 58 -7.828 -1.968 10.330 1.00 0.00 C ATOM 827 O HIS A 58 -7.350 -1.309 11.251 1.00 0.00 O ATOM 828 CB HIS A 58 -9.450 -0.346 9.139 1.00 0.00 C ATOM 829 CG HIS A 58 -9.812 0.307 7.821 1.00 0.00 C ATOM 830 ND1 HIS A 58 -9.213 1.427 7.295 1.00 0.00 N ATOM 831 CD2 HIS A 58 -10.709 -0.155 6.892 1.00 0.00 C ATOM 832 CE1 HIS A 58 -9.728 1.628 6.068 1.00 0.00 C ATOM 833 NE2 HIS A 58 -10.638 0.677 5.768 1.00 0.00 N ATOM 0 H HIS A 58 -9.524 -2.316 7.729 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.378 -0.684 8.735 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.307 -0.907 9.512 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.229 0.426 9.876 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.506 2.002 7.752 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.357 -1.011 7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.451 2.440 5.412 1.00 0.00 H new ATOM 841 N LYS A 59 -8.001 -3.298 10.400 1.00 0.00 N ATOM 842 CA LYS A 59 -7.634 -4.134 11.533 1.00 0.00 C ATOM 843 C LYS A 59 -6.581 -5.183 11.111 1.00 0.00 C ATOM 844 O LYS A 59 -5.870 -5.690 11.984 1.00 0.00 O ATOM 845 CB LYS A 59 -8.924 -4.737 12.137 1.00 0.00 C ATOM 846 CG LYS A 59 -9.005 -4.806 13.675 1.00 0.00 C ATOM 847 CD LYS A 59 -7.970 -5.703 14.367 1.00 0.00 C ATOM 848 CE LYS A 59 -6.730 -4.911 14.809 1.00 0.00 C ATOM 849 NZ LYS A 59 -5.513 -5.743 14.708 1.00 0.00 N ATOM 0 H LYS A 59 -8.416 -3.831 9.636 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.154 -3.548 12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.772 -4.154 11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.043 -5.747 11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.901 -3.795 14.070 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.000 -5.155 13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.425 -6.179 15.235 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.668 -6.500 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.621 -4.022 14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.858 -4.569 15.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.707 -5.231 15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.658 -6.635 15.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.316 -5.949 13.708 1.00 0.00 H new ATOM 863 N GLY A 60 -6.419 -5.497 9.809 1.00 0.00 N ATOM 864 CA GLY A 60 -5.405 -6.452 9.321 1.00 0.00 C ATOM 865 C GLY A 60 -4.157 -5.726 8.853 1.00 0.00 C ATOM 866 O GLY A 60 -4.120 -5.067 7.820 1.00 0.00 O ATOM 0 H GLY A 60 -6.989 -5.094 9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.147 -7.152 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.818 -7.039 8.501 1.00 0.00 H new ATOM 870 N LEU A 61 -3.092 -5.914 9.607 1.00 0.00 N ATOM 871 CA LEU A 61 -1.794 -5.277 9.387 1.00 0.00 C ATOM 872 C LEU A 61 -0.603 -6.203 9.178 1.00 0.00 C ATOM 873 O LEU A 61 -0.699 -7.422 9.310 1.00 0.00 O ATOM 874 CB LEU A 61 -1.614 -4.228 10.508 1.00 0.00 C ATOM 875 CG LEU A 61 -0.732 -4.538 11.726 1.00 0.00 C ATOM 876 CD1 LEU A 61 -0.897 -3.370 12.700 1.00 0.00 C ATOM 877 CD2 LEU A 61 -1.133 -5.817 12.464 1.00 0.00 C ATOM 0 H LEU A 61 -3.099 -6.533 10.418 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.808 -4.794 8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.217 -3.325 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.608 -3.983 10.883 1.00 0.00 H new ATOM 0 HG LEU A 61 0.290 -4.678 11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.286 -3.546 13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.579 -2.446 12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.944 -3.285 12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.466 -5.972 13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.159 -5.725 12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.060 -6.667 11.785 1.00 0.00 H new ATOM 889 N ALA A 62 0.529 -5.573 8.837 1.00 0.00 N ATOM 890 CA ALA A 62 1.810 -6.173 8.595 1.00 0.00 C ATOM 891 C ALA A 62 2.680 -5.802 9.793 1.00 0.00 C ATOM 892 O ALA A 62 3.144 -4.668 9.923 1.00 0.00 O ATOM 893 CB ALA A 62 2.286 -5.716 7.204 1.00 0.00 C ATOM 0 H ALA A 62 0.555 -4.560 8.720 1.00 0.00 H new ATOM 0 HA ALA A 62 1.825 -7.261 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.260 -6.156 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.568 -6.038 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.367 -4.629 7.186 1.00 0.00 H new ATOM 899 N PHE A 63 2.836 -6.761 10.703 1.00 0.00 N ATOM 900 CA PHE A 63 3.582 -6.641 11.952 1.00 0.00 C ATOM 901 C PHE A 63 4.965 -7.328 11.933 1.00 0.00 C ATOM 902 O PHE A 63 5.800 -6.960 12.761 1.00 0.00 O ATOM 903 CB PHE A 63 2.724 -7.133 13.130 1.00 0.00 C ATOM 904 CG PHE A 63 2.933 -8.592 13.490 1.00 0.00 C ATOM 905 CD1 PHE A 63 2.390 -9.611 12.686 1.00 0.00 C ATOM 906 CD2 PHE A 63 3.744 -8.932 14.592 1.00 0.00 C ATOM 907 CE1 PHE A 63 2.669 -10.959 12.972 1.00 0.00 C ATOM 908 CE2 PHE A 63 4.021 -10.280 14.877 1.00 0.00 C ATOM 909 CZ PHE A 63 3.489 -11.293 14.062 1.00 0.00 C ATOM 0 H PHE A 63 2.426 -7.687 10.583 1.00 0.00 H new ATOM 0 HA PHE A 63 3.799 -5.581 12.080 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.943 -6.520 14.004 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.673 -6.978 12.888 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.758 -9.357 11.848 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.154 -8.154 15.219 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.252 -11.739 12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.642 -10.537 15.722 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.711 -12.329 14.274 1.00 0.00 H new ATOM 919 N ALA A 64 5.282 -8.194 10.961 1.00 0.00 N ATOM 920 CA ALA A 64 6.575 -8.885 10.865 1.00 0.00 C ATOM 921 C ALA A 64 7.246 -8.735 9.485 1.00 0.00 C ATOM 922 O ALA A 64 6.595 -8.880 8.453 1.00 0.00 O ATOM 923 CB ALA A 64 6.363 -10.359 11.236 1.00 0.00 C ATOM 0 H ALA A 64 4.638 -8.438 10.208 1.00 0.00 H new ATOM 0 HA ALA A 64 7.268 -8.418 11.564 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.312 -10.891 11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.978 -10.426 12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.648 -10.808 10.547 1.00 0.00 H new ATOM 929 N ALA A 65 8.563 -8.475 9.469 1.00 0.00 N ATOM 930 CA ALA A 65 9.376 -8.301 8.257 1.00 0.00 C ATOM 931 C ALA A 65 9.190 -9.452 7.261 1.00 0.00 C ATOM 932 O ALA A 65 9.532 -10.595 7.569 1.00 0.00 O ATOM 933 CB ALA A 65 10.843 -8.088 8.652 1.00 0.00 C ATOM 0 H ALA A 65 9.107 -8.377 10.326 1.00 0.00 H new ATOM 0 HA ALA A 65 9.032 -7.411 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.447 -7.959 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.926 -7.198 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.200 -8.955 9.207 1.00 0.00 H new ATOM 939 N GLY A 66 8.653 -9.150 6.071 1.00 0.00 N ATOM 940 CA GLY A 66 8.372 -10.143 5.042 1.00 0.00 C ATOM 941 C GLY A 66 6.873 -10.379 4.859 1.00 0.00 C ATOM 942 O GLY A 66 6.504 -11.025 3.882 1.00 0.00 O ATOM 0 H GLY A 66 8.402 -8.199 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.804 -9.816 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.856 -11.083 5.305 1.00 0.00 H new ATOM 946 N GLU A 67 5.999 -9.917 5.767 1.00 0.00 N ATOM 947 CA GLU A 67 4.551 -10.095 5.567 1.00 0.00 C ATOM 948 C GLU A 67 4.103 -9.285 4.340 1.00 0.00 C ATOM 949 O GLU A 67 4.781 -8.344 3.930 1.00 0.00 O ATOM 950 CB GLU A 67 3.753 -9.701 6.821 1.00 0.00 C ATOM 951 CG GLU A 67 3.869 -10.760 7.930 1.00 0.00 C ATOM 952 CD GLU A 67 3.087 -10.391 9.201 1.00 0.00 C ATOM 953 OE1 GLU A 67 3.049 -9.179 9.541 1.00 0.00 O ATOM 954 OE2 GLU A 67 2.568 -11.325 9.851 1.00 0.00 O ATOM 0 H GLU A 67 6.259 -9.430 6.625 1.00 0.00 H new ATOM 0 HA GLU A 67 4.349 -11.151 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.114 -8.743 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.704 -9.566 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.505 -11.715 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.920 -10.897 8.184 1.00 0.00 H new ATOM 961 N SER A 68 2.987 -9.608 3.686 1.00 0.00 N ATOM 962 CA SER A 68 2.617 -8.834 2.488 1.00 0.00 C ATOM 963 C SER A 68 1.178 -9.016 2.080 1.00 0.00 C ATOM 964 O SER A 68 0.447 -9.818 2.671 1.00 0.00 O ATOM 965 CB SER A 68 3.510 -9.236 1.284 1.00 0.00 C ATOM 966 OG SER A 68 3.124 -10.432 0.635 1.00 0.00 O ATOM 0 H SER A 68 2.348 -10.360 3.943 1.00 0.00 H new ATOM 0 HA SER A 68 2.765 -7.788 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.502 -8.425 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.538 -9.342 1.631 1.00 0.00 H new ATOM 0 HG SER A 68 3.735 -10.612 -0.110 1.00 0.00 H new ATOM 972 N PHE A 69 0.763 -8.238 1.073 1.00 0.00 N ATOM 973 CA PHE A 69 -0.582 -8.393 0.568 1.00 0.00 C ATOM 974 C PHE A 69 -0.478 -7.947 -0.910 1.00 0.00 C ATOM 975 O PHE A 69 0.335 -7.090 -1.282 1.00 0.00 O ATOM 976 CB PHE A 69 -1.637 -7.504 1.273 1.00 0.00 C ATOM 977 CG PHE A 69 -2.120 -6.268 0.590 1.00 0.00 C ATOM 978 CD1 PHE A 69 -1.304 -5.149 0.448 1.00 0.00 C ATOM 979 CD2 PHE A 69 -3.441 -6.270 0.099 1.00 0.00 C ATOM 980 CE1 PHE A 69 -1.835 -4.029 -0.186 1.00 0.00 C ATOM 981 CE2 PHE A 69 -3.961 -5.136 -0.532 1.00 0.00 C ATOM 982 CZ PHE A 69 -3.152 -4.001 -0.664 1.00 0.00 C ATOM 0 H PHE A 69 1.326 -7.522 0.613 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.917 -9.418 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.507 -8.127 1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.224 -7.206 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.290 -5.150 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.055 -7.152 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.213 -3.155 -0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.972 -5.136 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.541 -3.109 -1.132 1.00 0.00 H new ATOM 992 N THR A 70 -1.319 -8.490 -1.780 1.00 0.00 N ATOM 993 CA THR A 70 -1.381 -8.125 -3.187 1.00 0.00 C ATOM 994 C THR A 70 -2.712 -7.446 -3.456 1.00 0.00 C ATOM 995 O THR A 70 -3.743 -7.836 -2.898 1.00 0.00 O ATOM 996 CB THR A 70 -1.133 -9.337 -4.089 1.00 0.00 C ATOM 997 OG1 THR A 70 -1.485 -9.030 -5.419 1.00 0.00 O ATOM 998 CG2 THR A 70 -1.895 -10.612 -3.711 1.00 0.00 C ATOM 0 H THR A 70 -1.991 -9.212 -1.521 1.00 0.00 H new ATOM 0 HA THR A 70 -0.585 -7.420 -3.425 1.00 0.00 H new ATOM 0 HB THR A 70 -0.070 -9.545 -3.963 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.322 -9.810 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.646 -11.407 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.614 -10.918 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.967 -10.419 -3.746 1.00 0.00 H new ATOM 1006 N SER A 71 -2.645 -6.388 -4.272 1.00 0.00 N ATOM 1007 CA SER A 71 -3.809 -5.635 -4.698 1.00 0.00 C ATOM 1008 C SER A 71 -3.857 -5.744 -6.207 1.00 0.00 C ATOM 1009 O SER A 71 -2.847 -5.982 -6.875 1.00 0.00 O ATOM 1010 CB SER A 71 -3.758 -4.209 -4.170 1.00 0.00 C ATOM 1011 OG SER A 71 -2.832 -3.399 -4.831 1.00 0.00 O ATOM 0 H SER A 71 -1.768 -6.034 -4.654 1.00 0.00 H new ATOM 0 HA SER A 71 -4.737 -6.034 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.748 -3.762 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.514 -4.233 -3.108 1.00 0.00 H new ATOM 0 HG SER A 71 -3.306 -2.711 -5.343 1.00 0.00 H new ATOM 1017 N THR A 72 -5.054 -5.652 -6.763 1.00 0.00 N ATOM 1018 CA THR A 72 -5.261 -5.793 -8.208 1.00 0.00 C ATOM 1019 C THR A 72 -6.506 -5.035 -8.605 1.00 0.00 C ATOM 1020 O THR A 72 -7.578 -5.249 -8.051 1.00 0.00 O ATOM 1021 CB THR A 72 -5.408 -7.269 -8.610 1.00 0.00 C ATOM 1022 OG1 THR A 72 -4.391 -8.051 -8.027 1.00 0.00 O ATOM 1023 CG2 THR A 72 -5.301 -7.456 -10.131 1.00 0.00 C ATOM 0 H THR A 72 -5.909 -5.479 -6.235 1.00 0.00 H new ATOM 0 HA THR A 72 -4.390 -5.388 -8.723 1.00 0.00 H new ATOM 0 HB THR A 72 -6.392 -7.584 -8.261 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.504 -8.987 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.410 -8.512 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.089 -6.886 -10.624 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.329 -7.102 -10.474 1.00 0.00 H new ATOM 1031 N PHE A 73 -6.357 -4.139 -9.573 1.00 0.00 N ATOM 1032 CA PHE A 73 -7.400 -3.272 -10.073 1.00 0.00 C ATOM 1033 C PHE A 73 -7.405 -2.977 -11.578 1.00 0.00 C ATOM 1034 O PHE A 73 -6.409 -3.056 -12.304 1.00 0.00 O ATOM 1035 CB PHE A 73 -7.448 -2.063 -9.112 1.00 0.00 C ATOM 1036 CG PHE A 73 -6.199 -1.641 -8.358 1.00 0.00 C ATOM 1037 CD1 PHE A 73 -5.022 -1.136 -8.930 1.00 0.00 C ATOM 1038 CD2 PHE A 73 -6.260 -1.845 -6.965 1.00 0.00 C ATOM 1039 CE1 PHE A 73 -3.943 -0.785 -8.082 1.00 0.00 C ATOM 1040 CE2 PHE A 73 -5.195 -1.495 -6.130 1.00 0.00 C ATOM 1041 CZ PHE A 73 -4.026 -0.977 -6.687 1.00 0.00 C ATOM 0 H PHE A 73 -5.465 -3.996 -10.047 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.357 -3.794 -10.054 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.783 -1.202 -9.691 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.220 -2.269 -8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.940 -1.017 -10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.149 -2.281 -6.533 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.045 -0.365 -8.509 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.277 -1.625 -5.061 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.189 -0.724 -6.054 1.00 0.00 H new ATOM 1051 N THR A 74 -8.644 -2.737 -12.029 1.00 0.00 N ATOM 1052 CA THR A 74 -9.051 -2.477 -13.411 1.00 0.00 C ATOM 1053 C THR A 74 -10.069 -1.347 -13.582 1.00 0.00 C ATOM 1054 O THR A 74 -10.649 -1.211 -14.662 1.00 0.00 O ATOM 1055 CB THR A 74 -9.536 -3.789 -14.050 1.00 0.00 C ATOM 1056 OG1 THR A 74 -9.697 -3.583 -15.430 1.00 0.00 O ATOM 1057 CG2 THR A 74 -10.864 -4.316 -13.499 1.00 0.00 C ATOM 0 H THR A 74 -9.440 -2.719 -11.392 1.00 0.00 H new ATOM 0 HA THR A 74 -8.168 -2.110 -13.935 1.00 0.00 H new ATOM 0 HB THR A 74 -8.777 -4.535 -13.814 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.079 -2.694 -15.586 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.127 -5.243 -14.008 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.765 -4.504 -12.430 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.647 -3.576 -13.666 1.00 0.00 H new ATOM 1065 N GLU A 75 -10.247 -0.534 -12.540 1.00 0.00 N ATOM 1066 CA GLU A 75 -11.126 0.625 -12.490 1.00 0.00 C ATOM 1067 C GLU A 75 -10.289 1.904 -12.599 1.00 0.00 C ATOM 1068 O GLU A 75 -9.679 2.307 -11.601 1.00 0.00 O ATOM 1069 CB GLU A 75 -12.039 0.585 -11.241 1.00 0.00 C ATOM 1070 CG GLU A 75 -11.491 0.634 -9.808 1.00 0.00 C ATOM 1071 CD GLU A 75 -10.981 -0.720 -9.251 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -10.385 -1.508 -10.034 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -11.229 -0.989 -8.050 1.00 0.00 O ATOM 0 H GLU A 75 -9.751 -0.679 -11.660 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.806 0.610 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.732 1.421 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.628 -0.329 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.674 1.354 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.274 1.008 -9.149 1.00 0.00 H new ATOM 1080 N PRO A 76 -10.221 2.506 -13.811 1.00 0.00 N ATOM 1081 CA PRO A 76 -9.434 3.699 -14.078 1.00 0.00 C ATOM 1082 C PRO A 76 -9.703 4.786 -13.043 1.00 0.00 C ATOM 1083 O PRO A 76 -10.857 5.129 -12.747 1.00 0.00 O ATOM 1084 CB PRO A 76 -9.746 4.137 -15.503 1.00 0.00 C ATOM 1085 CG PRO A 76 -10.281 2.880 -16.171 1.00 0.00 C ATOM 1086 CD PRO A 76 -10.956 2.148 -15.021 1.00 0.00 C ATOM 0 HA PRO A 76 -8.367 3.491 -13.993 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.482 4.941 -15.520 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.855 4.509 -16.009 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.985 3.115 -16.970 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.482 2.286 -16.615 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.003 2.438 -14.938 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.936 1.070 -15.182 1.00 0.00 H new ATOM 1094 N GLY A 77 -8.608 5.249 -12.443 1.00 0.00 N ATOM 1095 CA GLY A 77 -8.644 6.246 -11.397 1.00 0.00 C ATOM 1096 C GLY A 77 -7.305 6.410 -10.676 1.00 0.00 C ATOM 1097 O GLY A 77 -6.264 5.856 -11.033 1.00 0.00 O ATOM 0 H GLY A 77 -7.667 4.934 -12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.938 7.204 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.410 5.974 -10.671 1.00 0.00 H new ATOM 1101 N THR A 78 -7.343 7.241 -9.638 1.00 0.00 N ATOM 1102 CA THR A 78 -6.217 7.512 -8.762 1.00 0.00 C ATOM 1103 C THR A 78 -6.793 7.432 -7.352 1.00 0.00 C ATOM 1104 O THR A 78 -7.592 8.265 -6.933 1.00 0.00 O ATOM 1105 CB THR A 78 -5.511 8.837 -9.109 1.00 0.00 C ATOM 1106 OG1 THR A 78 -4.383 8.962 -8.273 1.00 0.00 O ATOM 1107 CG2 THR A 78 -6.339 10.121 -8.988 1.00 0.00 C ATOM 0 H THR A 78 -8.184 7.757 -9.379 1.00 0.00 H new ATOM 0 HA THR A 78 -5.408 6.790 -8.874 1.00 0.00 H new ATOM 0 HB THR A 78 -5.277 8.758 -10.171 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.897 8.111 -8.250 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.723 10.978 -9.261 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.198 10.064 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.685 10.235 -7.961 1.00 0.00 H new ATOM 1115 N TYR A 79 -6.459 6.343 -6.662 1.00 0.00 N ATOM 1116 CA TYR A 79 -6.917 6.012 -5.322 1.00 0.00 C ATOM 1117 C TYR A 79 -5.810 5.988 -4.291 1.00 0.00 C ATOM 1118 O TYR A 79 -4.649 5.666 -4.538 1.00 0.00 O ATOM 1119 CB TYR A 79 -7.853 4.755 -5.401 1.00 0.00 C ATOM 1120 CG TYR A 79 -7.689 3.720 -6.510 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -8.133 4.161 -7.777 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -7.502 2.329 -6.313 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -8.316 3.281 -8.844 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.701 1.438 -7.383 1.00 0.00 C ATOM 1125 CZ TYR A 79 -8.109 1.912 -8.645 1.00 0.00 C ATOM 1126 OH TYR A 79 -8.384 1.060 -9.653 1.00 0.00 O ATOM 0 H TYR A 79 -5.831 5.636 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.533 6.819 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.756 4.225 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.877 5.123 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.337 5.211 -7.924 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.207 1.954 -5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.614 3.653 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.539 0.380 -7.235 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.738 1.561 -10.417 1.00 0.00 H new ATOM 1136 N THR A 80 -6.185 6.566 -3.151 1.00 0.00 N ATOM 1137 CA THR A 80 -5.376 6.784 -1.963 1.00 0.00 C ATOM 1138 C THR A 80 -5.295 5.565 -1.064 1.00 0.00 C ATOM 1139 O THR A 80 -6.274 4.838 -0.915 1.00 0.00 O ATOM 1140 CB THR A 80 -5.970 7.937 -1.126 1.00 0.00 C ATOM 1141 OG1 THR A 80 -6.830 8.785 -1.868 1.00 0.00 O ATOM 1142 CG2 THR A 80 -4.875 8.794 -0.491 1.00 0.00 C ATOM 0 H THR A 80 -7.134 6.919 -3.029 1.00 0.00 H new ATOM 0 HA THR A 80 -4.374 7.017 -2.322 1.00 0.00 H new ATOM 0 HB THR A 80 -6.559 7.446 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.735 8.409 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.331 9.595 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.262 8.175 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.250 9.224 -1.274 1.00 0.00 H new ATOM 1150 N TYR A 81 -4.160 5.395 -0.393 1.00 0.00 N ATOM 1151 CA TYR A 81 -3.941 4.300 0.541 1.00 0.00 C ATOM 1152 C TYR A 81 -3.023 4.760 1.658 1.00 0.00 C ATOM 1153 O TYR A 81 -2.270 5.723 1.504 1.00 0.00 O ATOM 1154 CB TYR A 81 -3.360 3.091 -0.198 1.00 0.00 C ATOM 1155 CG TYR A 81 -2.032 3.395 -0.858 1.00 0.00 C ATOM 1156 CD1 TYR A 81 -1.999 4.047 -2.104 1.00 0.00 C ATOM 1157 CD2 TYR A 81 -0.830 3.085 -0.199 1.00 0.00 C ATOM 1158 CE1 TYR A 81 -0.768 4.375 -2.697 1.00 0.00 C ATOM 1159 CE2 TYR A 81 0.396 3.409 -0.800 1.00 0.00 C ATOM 1160 CZ TYR A 81 0.434 4.052 -2.050 1.00 0.00 C ATOM 1161 OH TYR A 81 1.623 4.315 -2.649 1.00 0.00 O ATOM 0 H TYR A 81 -3.360 6.021 -0.485 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.890 3.997 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.232 2.267 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.070 2.757 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.922 4.296 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.850 2.600 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.747 4.877 -3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.320 3.162 -0.298 1.00 0.00 H new ATOM 0 HH TYR A 81 2.355 4.029 -2.063 1.00 0.00 H new ATOM 1171 N TYR A 82 -3.098 4.111 2.806 1.00 0.00 N ATOM 1172 CA TYR A 82 -2.309 4.474 3.969 1.00 0.00 C ATOM 1173 C TYR A 82 -2.158 3.264 4.886 1.00 0.00 C ATOM 1174 O TYR A 82 -2.762 2.214 4.670 1.00 0.00 O ATOM 1175 CB TYR A 82 -2.963 5.680 4.674 1.00 0.00 C ATOM 1176 CG TYR A 82 -4.415 5.541 5.107 1.00 0.00 C ATOM 1177 CD1 TYR A 82 -5.460 5.922 4.236 1.00 0.00 C ATOM 1178 CD2 TYR A 82 -4.713 5.111 6.415 1.00 0.00 C ATOM 1179 CE1 TYR A 82 -6.797 5.904 4.682 1.00 0.00 C ATOM 1180 CE2 TYR A 82 -6.044 5.109 6.868 1.00 0.00 C ATOM 1181 CZ TYR A 82 -7.087 5.522 6.012 1.00 0.00 C ATOM 1182 OH TYR A 82 -8.365 5.569 6.486 1.00 0.00 O ATOM 0 H TYR A 82 -3.713 3.311 2.958 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.305 4.776 3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.370 5.914 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.892 6.538 4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.234 6.228 3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.919 4.783 7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.596 6.181 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.269 4.790 7.875 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.379 5.270 7.419 1.00 0.00 H new ATOM 1192 N CYS A 83 -1.299 3.419 5.882 1.00 0.00 N ATOM 1193 CA CYS A 83 -1.063 2.384 6.883 1.00 0.00 C ATOM 1194 C CYS A 83 -1.736 2.787 8.193 1.00 0.00 C ATOM 1195 O CYS A 83 -1.348 3.804 8.758 1.00 0.00 O ATOM 1196 CB CYS A 83 0.442 2.259 7.067 1.00 0.00 C ATOM 1197 SG CYS A 83 0.996 1.601 8.640 1.00 0.00 S ATOM 0 H CYS A 83 -0.745 4.264 6.021 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.478 1.427 6.568 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.832 1.622 6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.887 3.245 6.933 1.00 0.00 H new ATOM 0 HG CYS A 83 2.281 1.764 8.750 1.00 0.00 H new ATOM 1202 N GLU A 84 -2.686 2.024 8.737 1.00 0.00 N ATOM 1203 CA GLU A 84 -3.336 2.441 9.989 1.00 0.00 C ATOM 1204 C GLU A 84 -2.404 2.851 11.145 1.00 0.00 C ATOM 1205 O GLU A 84 -2.512 4.000 11.571 1.00 0.00 O ATOM 1206 CB GLU A 84 -4.347 1.398 10.485 1.00 0.00 C ATOM 1207 CG GLU A 84 -5.631 1.360 9.654 1.00 0.00 C ATOM 1208 CD GLU A 84 -6.428 2.666 9.609 1.00 0.00 C ATOM 1209 OE1 GLU A 84 -6.069 3.676 10.260 1.00 0.00 O ATOM 1210 OE2 GLU A 84 -7.437 2.690 8.867 1.00 0.00 O ATOM 0 H GLU A 84 -3.017 1.141 8.349 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.847 3.358 9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.881 0.413 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.600 1.612 11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.374 1.077 8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.276 0.575 10.050 1.00 0.00 H new ATOM 1217 N PRO A 85 -1.466 2.030 11.654 1.00 0.00 N ATOM 1218 CA PRO A 85 -0.650 2.471 12.782 1.00 0.00 C ATOM 1219 C PRO A 85 0.219 3.695 12.490 1.00 0.00 C ATOM 1220 O PRO A 85 0.636 4.350 13.438 1.00 0.00 O ATOM 1221 CB PRO A 85 0.184 1.257 13.191 1.00 0.00 C ATOM 1222 CG PRO A 85 0.266 0.447 11.903 1.00 0.00 C ATOM 1223 CD PRO A 85 -1.103 0.680 11.262 1.00 0.00 C ATOM 0 HA PRO A 85 -1.295 2.815 13.591 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.172 1.548 13.548 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.292 0.692 13.993 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.076 0.792 11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.444 -0.610 12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.055 0.582 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.835 -0.046 11.616 1.00 0.00 H new ATOM 1231 N HIS A 86 0.492 4.047 11.226 1.00 0.00 N ATOM 1232 CA HIS A 86 1.356 5.187 10.898 1.00 0.00 C ATOM 1233 C HIS A 86 0.654 6.288 10.078 1.00 0.00 C ATOM 1234 O HIS A 86 1.324 7.199 9.574 1.00 0.00 O ATOM 1235 CB HIS A 86 2.653 4.655 10.258 1.00 0.00 C ATOM 1236 CG HIS A 86 3.621 4.051 11.249 1.00 0.00 C ATOM 1237 ND1 HIS A 86 4.049 2.737 11.318 1.00 0.00 N ATOM 1238 CD2 HIS A 86 4.317 4.761 12.193 1.00 0.00 C ATOM 1239 CE1 HIS A 86 4.988 2.679 12.284 1.00 0.00 C ATOM 1240 NE2 HIS A 86 5.183 3.887 12.845 1.00 0.00 N ATOM 0 H HIS A 86 0.125 3.555 10.411 1.00 0.00 H new ATOM 0 HA HIS A 86 1.614 5.707 11.821 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.397 3.904 9.511 1.00 0.00 H new ATOM 0 HB3 HIS A 86 3.148 5.471 9.732 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.717 1.960 10.747 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.212 5.817 12.396 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.515 1.781 12.570 1.00 0.00 H new ATOM 1248 N ARG A 87 -0.689 6.262 10.002 1.00 0.00 N ATOM 1249 CA ARG A 87 -1.508 7.213 9.227 1.00 0.00 C ATOM 1250 C ARG A 87 -1.176 8.700 9.444 1.00 0.00 C ATOM 1251 O ARG A 87 -1.136 9.452 8.477 1.00 0.00 O ATOM 1252 CB ARG A 87 -3.011 6.939 9.463 1.00 0.00 C ATOM 1253 CG ARG A 87 -3.474 7.095 10.930 1.00 0.00 C ATOM 1254 CD ARG A 87 -4.953 7.424 11.088 1.00 0.00 C ATOM 1255 NE ARG A 87 -5.877 6.368 10.635 1.00 0.00 N ATOM 1256 CZ ARG A 87 -7.156 6.577 10.357 1.00 0.00 C ATOM 1257 NH1 ARG A 87 -7.681 7.785 10.416 1.00 0.00 N ATOM 1258 NH2 ARG A 87 -7.912 5.562 10.030 1.00 0.00 N ATOM 0 H ARG A 87 -1.249 5.562 10.489 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.252 7.029 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.592 7.618 8.839 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.238 5.926 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.260 6.171 11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.886 7.882 11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.153 7.635 12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.168 8.337 10.533 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.511 5.422 10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.100 8.581 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.668 7.923 10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.516 4.623 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.898 5.709 9.814 1.00 0.00 H new ATOM 1272 N GLY A 88 -0.910 9.107 10.690 1.00 0.00 N ATOM 1273 CA GLY A 88 -0.616 10.492 11.101 1.00 0.00 C ATOM 1274 C GLY A 88 0.878 10.832 11.138 1.00 0.00 C ATOM 1275 O GLY A 88 1.249 11.996 11.289 1.00 0.00 O ATOM 0 H GLY A 88 -0.892 8.456 11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.116 11.176 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.041 10.664 12.090 1.00 0.00 H new ATOM 1279 N ALA A 89 1.716 9.793 11.011 1.00 0.00 N ATOM 1280 CA ALA A 89 3.174 9.844 10.966 1.00 0.00 C ATOM 1281 C ALA A 89 3.691 9.977 9.524 1.00 0.00 C ATOM 1282 O ALA A 89 4.889 10.158 9.320 1.00 0.00 O ATOM 1283 CB ALA A 89 3.731 8.590 11.647 1.00 0.00 C ATOM 0 H ALA A 89 1.366 8.838 10.933 1.00 0.00 H new ATOM 0 HA ALA A 89 3.519 10.729 11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.820 8.615 11.621 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.394 8.558 12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.376 7.703 11.123 1.00 0.00 H new ATOM 1289 N GLY A 90 2.802 9.879 8.524 1.00 0.00 N ATOM 1290 CA GLY A 90 3.160 10.041 7.119 1.00 0.00 C ATOM 1291 C GLY A 90 3.102 8.769 6.287 1.00 0.00 C ATOM 1292 O GLY A 90 3.462 8.827 5.109 1.00 0.00 O ATOM 0 H GLY A 90 1.812 9.684 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.493 10.779 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.170 10.448 7.062 1.00 0.00 H new ATOM 1296 N MET A 91 2.664 7.630 6.843 1.00 0.00 N ATOM 1297 CA MET A 91 2.565 6.422 6.035 1.00 0.00 C ATOM 1298 C MET A 91 1.229 6.449 5.286 1.00 0.00 C ATOM 1299 O MET A 91 0.238 5.800 5.622 1.00 0.00 O ATOM 1300 CB MET A 91 2.777 5.165 6.878 1.00 0.00 C ATOM 1301 CG MET A 91 3.162 4.017 5.925 1.00 0.00 C ATOM 1302 SD MET A 91 3.937 2.580 6.706 1.00 0.00 S ATOM 1303 CE MET A 91 4.525 1.723 5.227 1.00 0.00 C ATOM 0 H MET A 91 2.382 7.527 7.818 1.00 0.00 H new ATOM 0 HA MET A 91 3.364 6.393 5.294 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.562 5.328 7.616 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.869 4.917 7.428 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.264 3.685 5.404 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.843 4.409 5.169 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.290 0.998 5.506 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.692 1.206 4.751 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.948 2.447 4.531 1.00 0.00 H new ATOM 1313 N VAL A 92 1.224 7.267 4.238 1.00 0.00 N ATOM 1314 CA VAL A 92 0.138 7.575 3.319 1.00 0.00 C ATOM 1315 C VAL A 92 0.719 7.794 1.908 1.00 0.00 C ATOM 1316 O VAL A 92 1.841 8.280 1.755 1.00 0.00 O ATOM 1317 CB VAL A 92 -0.655 8.782 3.867 1.00 0.00 C ATOM 1318 CG1 VAL A 92 0.190 10.048 4.070 1.00 0.00 C ATOM 1319 CG2 VAL A 92 -1.832 9.147 2.945 1.00 0.00 C ATOM 0 H VAL A 92 2.068 7.782 3.988 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.569 6.749 3.237 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.010 8.449 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.441 10.848 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.990 9.841 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.621 10.354 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.368 10.000 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.453 9.403 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.509 8.297 2.865 1.00 0.00 H new ATOM 1329 N GLY A 93 -0.042 7.409 0.871 1.00 0.00 N ATOM 1330 CA GLY A 93 0.362 7.496 -0.547 1.00 0.00 C ATOM 1331 C GLY A 93 -0.810 7.534 -1.550 1.00 0.00 C ATOM 1332 O GLY A 93 -1.982 7.463 -1.156 1.00 0.00 O ATOM 0 H GLY A 93 -0.977 7.020 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.969 8.391 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.997 6.642 -0.783 1.00 0.00 H new ATOM 1336 N LYS A 94 -0.475 7.607 -2.858 1.00 0.00 N ATOM 1337 CA LYS A 94 -1.432 7.702 -3.988 1.00 0.00 C ATOM 1338 C LYS A 94 -1.067 6.846 -5.222 1.00 0.00 C ATOM 1339 O LYS A 94 -0.022 7.020 -5.838 1.00 0.00 O ATOM 1340 CB LYS A 94 -1.592 9.184 -4.387 1.00 0.00 C ATOM 1341 CG LYS A 94 -2.859 9.428 -5.227 1.00 0.00 C ATOM 1342 CD LYS A 94 -4.102 9.618 -4.345 1.00 0.00 C ATOM 1343 CE LYS A 94 -5.381 9.394 -5.153 1.00 0.00 C ATOM 1344 NZ LYS A 94 -6.590 9.806 -4.405 1.00 0.00 N ATOM 0 H LYS A 94 0.497 7.601 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.374 7.287 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.631 9.798 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.716 9.503 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.717 10.311 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.017 8.585 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.069 8.921 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.104 10.623 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.323 9.955 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.461 8.340 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.401 9.232 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.433 9.665 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.787 10.811 -4.589 1.00 0.00 H new ATOM 1358 N VAL A 95 -1.957 5.920 -5.592 1.00 0.00 N ATOM 1359 CA VAL A 95 -1.859 5.024 -6.743 1.00 0.00 C ATOM 1360 C VAL A 95 -2.539 5.685 -7.931 1.00 0.00 C ATOM 1361 O VAL A 95 -3.460 6.494 -7.766 1.00 0.00 O ATOM 1362 CB VAL A 95 -2.588 3.687 -6.434 1.00 0.00 C ATOM 1363 CG1 VAL A 95 -2.805 2.773 -7.640 1.00 0.00 C ATOM 1364 CG2 VAL A 95 -1.827 2.865 -5.382 1.00 0.00 C ATOM 0 H VAL A 95 -2.816 5.769 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.810 4.824 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.565 4.010 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.321 1.867 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.408 3.291 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.841 2.508 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.363 1.936 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.827 2.637 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.750 3.438 -4.458 1.00 0.00 H new ATOM 1374 N VAL A 96 -2.088 5.310 -9.125 1.00 0.00 N ATOM 1375 CA VAL A 96 -2.640 5.773 -10.372 1.00 0.00 C ATOM 1376 C VAL A 96 -2.818 4.520 -11.210 1.00 0.00 C ATOM 1377 O VAL A 96 -1.875 3.739 -11.383 1.00 0.00 O ATOM 1378 CB VAL A 96 -1.747 6.816 -11.052 1.00 0.00 C ATOM 1379 CG1 VAL A 96 -2.350 7.281 -12.381 1.00 0.00 C ATOM 1380 CG2 VAL A 96 -1.491 8.052 -10.180 1.00 0.00 C ATOM 0 H VAL A 96 -1.310 4.661 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.587 6.293 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.795 6.312 -11.222 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.694 8.021 -12.839 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.458 6.427 -13.050 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.328 7.726 -12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.852 8.752 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.440 8.534 -9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.999 7.750 -9.256 1.00 0.00 H new ATOM 1390 N VAL A 97 -4.057 4.279 -11.638 1.00 0.00 N ATOM 1391 CA VAL A 97 -4.404 3.151 -12.494 1.00 0.00 C ATOM 1392 C VAL A 97 -5.149 3.647 -13.726 1.00 0.00 C ATOM 1393 O VAL A 97 -6.158 4.345 -13.626 1.00 0.00 O ATOM 1394 CB VAL A 97 -5.179 2.029 -11.762 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -4.953 1.986 -10.252 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -6.676 1.913 -12.043 1.00 0.00 C ATOM 0 H VAL A 97 -4.854 4.868 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.469 2.685 -12.806 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.715 1.159 -12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.533 1.171 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.894 1.826 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.270 2.931 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.092 1.087 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.173 2.841 -11.759 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.833 1.728 -13.106 1.00 0.00 H new ATOM 1406 N GLU A 98 -4.580 3.214 -14.856 1.00 0.00 N ATOM 1407 CA GLU A 98 -4.832 3.401 -16.297 1.00 0.00 C ATOM 1408 C GLU A 98 -3.612 3.910 -17.083 1.00 0.00 C ATOM 1409 O GLU A 98 -2.622 4.349 -16.455 1.00 0.00 O ATOM 1410 CB GLU A 98 -6.051 4.297 -16.577 1.00 0.00 C ATOM 1411 CG GLU A 98 -5.810 5.799 -16.308 1.00 0.00 C ATOM 1412 CD GLU A 98 -7.131 6.572 -16.197 1.00 0.00 C ATOM 1413 OE1 GLU A 98 -7.647 6.971 -17.267 1.00 0.00 O ATOM 1414 OE2 GLU A 98 -7.634 6.740 -15.059 1.00 0.00 O ATOM 1415 OXT GLU A 98 -3.660 3.773 -18.324 1.00 0.00 O ATOM 0 H GLU A 98 -3.770 2.602 -14.758 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.051 2.397 -16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.350 4.169 -17.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.885 3.959 -15.962 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.240 5.917 -15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.207 6.221 -17.112 1.00 0.00 H new TER 1422 GLU A 98