USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1026 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 101 ASN : amide:sc= -0.545 K(o=-1.1,f=-0.27) USER MOD Set 1.2: A 103 MET CE :methyl 139:sc= -0.507 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.431 K(o=0.4,f=-9!) USER MOD Set 2.2: A 67 THR OG1 : rot 148:sc= 0.835 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.018) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.284 (180deg=-1.08) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0089 USER MOD Single : A 8 SER OG : rot -110:sc= 1.25 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -45:sc= 1.04 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.039) USER MOD Single : A 35 ASN : amide:sc= -0.571 K(o=-0.57,f=-2.4!) USER MOD Single : A 36 TYR OH : rot 130:sc= -2.22! USER MOD Single : A 39 HIS : no HE2:sc= -1.89 X(o=-1.9,f=-2.3) USER MOD Single : A 43 SER OG : rot -130:sc= -7.36! USER MOD Single : A 45 HIS : no HE2:sc= -1.97 K(o=-2,f=-6.2!) USER MOD Single : A 46 TYR OH : rot 80:sc= -1.23 USER MOD Single : A 48 SER OG : rot -62:sc= 0.558 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.35) USER MOD Single : A 61 ASN : amide:sc= -4.58! K(o=-4.6!,f=-0.92) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.232 (180deg=-0.988) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= -0.0436 (180deg=-0.304) USER MOD Single : A 71 HIS : no HE2:sc= -5.02 K(o=-5,f=-6.6!) USER MOD Single : A 72 SER OG : rot 114:sc= 0.578 USER MOD Single : A 75 SER OG : rot 180:sc= 0.105 USER MOD Single : A 76 GLN : amide:sc= -4.01! K(o=-4!,f=-1.9) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.843 USER MOD Single : A 82 CYS SG : rot 150:sc= -0.283 USER MOD Single : A 88 ASN : amide:sc= -3.12 K(o=-3.1,f=-1.3!) USER MOD Single : A 89 TYR OH : rot 112:sc= -3.57 USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= -0.159 (180deg=-0.475) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= -0.34 (180deg=-1.63!) USER MOD Single : A 97 THR OG1 : rot 120:sc= -0.266 USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.0218 (180deg=-0.249) USER MOD Single : A 110 ASN : amide:sc= -1.03 K(o=-1,f=-6.5!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.627 USER MOD Single : A 117 LYS NZ :NH3+ -159:sc= -0.0646 (180deg=-0.387) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 CYS SG : rot -21:sc= 0.0239 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.813 23.900 7.414 1.00 0.00 N ATOM 2 CA MET A 1 7.607 23.675 6.178 1.00 0.00 C ATOM 3 C MET A 1 7.262 22.335 5.537 1.00 0.00 C ATOM 4 O MET A 1 6.453 21.573 6.066 1.00 0.00 O ATOM 5 CB MET A 1 9.095 23.722 6.537 1.00 0.00 C ATOM 6 CG MET A 1 9.447 22.941 7.793 1.00 0.00 C ATOM 7 SD MET A 1 9.444 21.158 7.526 1.00 0.00 S ATOM 8 CE MET A 1 11.075 20.723 8.125 1.00 0.00 C ATOM 0 H1 MET A 1 7.273 24.630 7.994 1.00 0.00 H new ATOM 0 H2 MET A 1 5.855 24.213 7.159 1.00 0.00 H new ATOM 0 H3 MET A 1 6.755 23.014 7.955 1.00 0.00 H new ATOM 0 HA MET A 1 7.370 24.455 5.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.674 23.328 5.701 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.395 24.761 6.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.431 23.250 8.144 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.735 23.188 8.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.224 19.648 8.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.830 21.250 7.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.165 21.006 9.174 1.00 0.00 H new ATOM 18 N ALA A 2 7.881 22.052 4.396 1.00 0.00 N ATOM 19 CA ALA A 2 7.638 20.803 3.683 1.00 0.00 C ATOM 20 C ALA A 2 8.625 19.724 4.114 1.00 0.00 C ATOM 21 O ALA A 2 9.572 19.993 4.852 1.00 0.00 O ATOM 22 CB ALA A 2 7.722 21.029 2.181 1.00 0.00 C ATOM 0 H ALA A 2 8.555 22.671 3.945 1.00 0.00 H new ATOM 0 HA ALA A 2 6.634 20.460 3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.539 20.089 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.973 21.762 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.715 21.399 1.924 1.00 0.00 H new ATOM 28 N MET A 3 8.396 18.500 3.647 1.00 0.00 N ATOM 29 CA MET A 3 9.265 17.380 3.985 1.00 0.00 C ATOM 30 C MET A 3 9.026 16.202 3.046 1.00 0.00 C ATOM 31 O MET A 3 8.071 15.445 3.215 1.00 0.00 O ATOM 32 CB MET A 3 9.033 16.945 5.433 1.00 0.00 C ATOM 33 CG MET A 3 7.565 16.879 5.821 1.00 0.00 C ATOM 34 SD MET A 3 7.023 18.336 6.735 1.00 0.00 S ATOM 35 CE MET A 3 5.401 17.808 7.283 1.00 0.00 C ATOM 0 H MET A 3 7.617 18.260 3.034 1.00 0.00 H new ATOM 0 HA MET A 3 10.298 17.709 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.485 15.965 5.586 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.545 17.640 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.960 16.773 4.921 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.393 15.990 6.427 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.936 18.604 7.864 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.780 17.581 6.416 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.499 16.916 7.902 1.00 0.00 H new ATOM 45 N ALA A 4 9.902 16.052 2.057 1.00 0.00 N ATOM 46 CA ALA A 4 9.786 14.965 1.093 1.00 0.00 C ATOM 47 C ALA A 4 10.785 13.854 1.397 1.00 0.00 C ATOM 48 O ALA A 4 11.940 13.911 0.972 1.00 0.00 O ATOM 49 CB ALA A 4 9.989 15.490 -0.320 1.00 0.00 C ATOM 0 H ALA A 4 10.699 16.669 1.903 1.00 0.00 H new ATOM 0 HA ALA A 4 8.783 14.546 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.900 14.668 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.233 16.243 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.980 15.936 -0.404 1.00 0.00 H new ATOM 55 N ARG A 5 10.335 12.845 2.136 1.00 0.00 N ATOM 56 CA ARG A 5 11.191 11.720 2.497 1.00 0.00 C ATOM 57 C ARG A 5 10.522 10.395 2.149 1.00 0.00 C ATOM 58 O ARG A 5 9.379 10.365 1.693 1.00 0.00 O ATOM 59 CB ARG A 5 11.520 11.762 3.991 1.00 0.00 C ATOM 60 CG ARG A 5 12.579 12.791 4.352 1.00 0.00 C ATOM 61 CD ARG A 5 12.363 13.346 5.751 1.00 0.00 C ATOM 62 NE ARG A 5 12.231 12.285 6.748 1.00 0.00 N ATOM 63 CZ ARG A 5 11.727 12.471 7.966 1.00 0.00 C ATOM 64 NH1 ARG A 5 11.307 13.673 8.341 1.00 0.00 N ATOM 65 NH2 ARG A 5 11.642 11.453 8.812 1.00 0.00 N ATOM 0 H ARG A 5 9.383 12.783 2.497 1.00 0.00 H new ATOM 0 HA ARG A 5 12.116 11.801 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.609 11.979 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.860 10.776 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.567 12.335 4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.557 13.606 3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.200 13.992 6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.466 13.966 5.760 1.00 0.00 H new ATOM 0 HE ARG A 5 12.543 11.347 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.370 14.460 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.922 13.810 9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.963 10.527 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.256 11.596 9.745 1.00 0.00 H new ATOM 79 N SER A 6 11.243 9.301 2.368 1.00 0.00 N ATOM 80 CA SER A 6 10.722 7.969 2.078 1.00 0.00 C ATOM 81 C SER A 6 9.706 7.541 3.132 1.00 0.00 C ATOM 82 O SER A 6 9.780 7.959 4.287 1.00 0.00 O ATOM 83 CB SER A 6 11.866 6.957 2.013 1.00 0.00 C ATOM 84 OG SER A 6 13.048 7.555 1.508 1.00 0.00 O ATOM 0 H SER A 6 12.191 9.310 2.746 1.00 0.00 H new ATOM 0 HA SER A 6 10.221 8.003 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.055 6.553 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.579 6.119 1.378 1.00 0.00 H new ATOM 0 HG SER A 6 13.765 6.888 1.478 1.00 0.00 H new ATOM 90 N ILE A 7 8.755 6.702 2.725 1.00 0.00 N ATOM 91 CA ILE A 7 7.721 6.214 3.632 1.00 0.00 C ATOM 92 C ILE A 7 7.005 7.374 4.318 1.00 0.00 C ATOM 93 O ILE A 7 6.732 7.332 5.518 1.00 0.00 O ATOM 94 CB ILE A 7 8.313 5.275 4.704 1.00 0.00 C ATOM 95 CG1 ILE A 7 9.175 4.195 4.048 1.00 0.00 C ATOM 96 CG2 ILE A 7 7.201 4.641 5.530 1.00 0.00 C ATOM 97 CD1 ILE A 7 10.521 4.699 3.579 1.00 0.00 C ATOM 0 H ILE A 7 8.680 6.346 1.772 1.00 0.00 H new ATOM 0 HA ILE A 7 7.004 5.655 3.031 1.00 0.00 H new ATOM 0 HB ILE A 7 8.943 5.864 5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.328 3.382 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.636 3.778 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.636 3.982 6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.624 5.423 6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.546 4.064 4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.078 3.880 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.377 5.491 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.080 5.090 4.429 1.00 0.00 H new ATOM 109 N SER A 8 6.707 8.414 3.545 1.00 0.00 N ATOM 110 CA SER A 8 6.028 9.593 4.074 1.00 0.00 C ATOM 111 C SER A 8 4.526 9.532 3.811 1.00 0.00 C ATOM 112 O SER A 8 4.088 9.115 2.740 1.00 0.00 O ATOM 113 CB SER A 8 6.611 10.863 3.454 1.00 0.00 C ATOM 114 OG SER A 8 6.707 10.747 2.044 1.00 0.00 O ATOM 0 H SER A 8 6.925 8.465 2.550 1.00 0.00 H new ATOM 0 HA SER A 8 6.186 9.612 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.984 11.717 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.598 11.056 3.874 1.00 0.00 H new ATOM 0 HG SER A 8 7.650 10.685 1.784 1.00 0.00 H new ATOM 120 N TYR A 9 3.745 9.956 4.799 1.00 0.00 N ATOM 121 CA TYR A 9 2.284 9.955 4.681 1.00 0.00 C ATOM 122 C TYR A 9 1.780 11.236 4.028 1.00 0.00 C ATOM 123 O TYR A 9 2.439 12.274 4.081 1.00 0.00 O ATOM 124 CB TYR A 9 1.599 9.765 6.047 1.00 0.00 C ATOM 125 CG TYR A 9 2.393 10.280 7.226 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.172 11.419 7.109 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.361 9.629 8.451 1.00 0.00 C ATOM 128 CE1 TYR A 9 3.903 11.898 8.177 1.00 0.00 C ATOM 129 CE2 TYR A 9 3.089 10.100 9.527 1.00 0.00 C ATOM 130 CZ TYR A 9 3.859 11.235 9.386 1.00 0.00 C ATOM 131 OH TYR A 9 4.586 11.707 10.454 1.00 0.00 O ATOM 0 H TYR A 9 4.095 10.305 5.691 1.00 0.00 H new ATOM 0 HA TYR A 9 2.023 9.109 4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.633 10.270 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.401 8.703 6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.208 11.942 6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.758 8.740 8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.506 12.787 8.067 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.055 9.582 10.474 1.00 0.00 H new ATOM 0 HH TYR A 9 4.443 11.125 11.230 1.00 0.00 H new ATOM 141 N ILE A 10 0.608 11.150 3.403 1.00 0.00 N ATOM 142 CA ILE A 10 0.016 12.298 2.728 1.00 0.00 C ATOM 143 C ILE A 10 -1.478 12.417 3.036 1.00 0.00 C ATOM 144 O ILE A 10 -2.191 11.417 3.107 1.00 0.00 O ATOM 145 CB ILE A 10 0.239 12.212 1.194 1.00 0.00 C ATOM 146 CG1 ILE A 10 1.014 13.434 0.695 1.00 0.00 C ATOM 147 CG2 ILE A 10 -1.082 12.075 0.441 1.00 0.00 C ATOM 148 CD1 ILE A 10 2.350 13.089 0.074 1.00 0.00 C ATOM 0 H ILE A 10 0.051 10.297 3.351 1.00 0.00 H new ATOM 0 HA ILE A 10 0.514 13.191 3.106 1.00 0.00 H new ATOM 0 HB ILE A 10 0.828 11.317 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.407 13.964 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.175 14.117 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.886 12.018 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.593 11.169 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.711 12.941 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.844 14.002 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.975 12.585 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.195 12.430 -0.780 1.00 0.00 H new ATOM 160 N THR A 11 -1.940 13.652 3.206 1.00 0.00 N ATOM 161 CA THR A 11 -3.347 13.918 3.493 1.00 0.00 C ATOM 162 C THR A 11 -4.142 14.052 2.189 1.00 0.00 C ATOM 163 O THR A 11 -3.559 14.173 1.111 1.00 0.00 O ATOM 164 CB THR A 11 -3.472 15.187 4.353 1.00 0.00 C ATOM 165 OG1 THR A 11 -3.154 14.907 5.704 1.00 0.00 O ATOM 166 CG2 THR A 11 -4.852 15.814 4.336 1.00 0.00 C ATOM 0 H THR A 11 -1.358 14.488 3.150 1.00 0.00 H new ATOM 0 HA THR A 11 -3.764 13.081 4.052 1.00 0.00 H new ATOM 0 HB THR A 11 -2.771 15.893 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.597 14.077 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.856 16.703 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.113 16.092 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.582 15.098 4.714 1.00 0.00 H new ATOM 174 N SER A 12 -5.472 14.012 2.300 1.00 0.00 N ATOM 175 CA SER A 12 -6.369 14.113 1.141 1.00 0.00 C ATOM 176 C SER A 12 -5.805 15.014 0.040 1.00 0.00 C ATOM 177 O SER A 12 -5.432 14.535 -1.031 1.00 0.00 O ATOM 178 CB SER A 12 -7.739 14.635 1.579 1.00 0.00 C ATOM 179 OG SER A 12 -8.518 13.604 2.160 1.00 0.00 O ATOM 0 H SER A 12 -5.958 13.909 3.191 1.00 0.00 H new ATOM 0 HA SER A 12 -6.467 13.110 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.610 15.445 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.264 15.051 0.719 1.00 0.00 H new ATOM 0 HG SER A 12 -9.387 13.965 2.432 1.00 0.00 H new ATOM 185 N THR A 13 -5.749 16.316 0.303 1.00 0.00 N ATOM 186 CA THR A 13 -5.233 17.269 -0.677 1.00 0.00 C ATOM 187 C THR A 13 -3.784 16.976 -1.012 1.00 0.00 C ATOM 188 O THR A 13 -3.371 17.109 -2.160 1.00 0.00 O ATOM 189 CB THR A 13 -5.365 18.702 -0.177 1.00 0.00 C ATOM 190 OG1 THR A 13 -4.857 18.825 1.140 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.792 19.209 -0.172 1.00 0.00 C ATOM 0 H THR A 13 -6.053 16.735 1.182 1.00 0.00 H new ATOM 0 HA THR A 13 -5.833 17.159 -1.581 1.00 0.00 H new ATOM 0 HB THR A 13 -4.788 19.304 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.950 19.753 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.812 20.235 0.195 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.193 19.178 -1.185 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.400 18.579 0.478 1.00 0.00 H new ATOM 199 N GLN A 14 -3.014 16.555 -0.015 1.00 0.00 N ATOM 200 CA GLN A 14 -1.615 16.228 -0.244 1.00 0.00 C ATOM 201 C GLN A 14 -1.520 15.146 -1.314 1.00 0.00 C ATOM 202 O GLN A 14 -0.469 14.945 -1.924 1.00 0.00 O ATOM 203 CB GLN A 14 -0.955 15.763 1.052 1.00 0.00 C ATOM 204 CG GLN A 14 -1.205 16.696 2.227 1.00 0.00 C ATOM 205 CD GLN A 14 -0.672 18.095 1.986 1.00 0.00 C ATOM 206 OE1 GLN A 14 -1.423 19.007 1.643 1.00 0.00 O ATOM 207 NE2 GLN A 14 0.631 18.273 2.167 1.00 0.00 N ATOM 0 H GLN A 14 -3.331 16.434 0.947 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.088 17.118 -0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.324 14.769 1.302 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.119 15.673 0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.276 16.748 2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.737 16.282 3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.218 17.489 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.045 19.194 2.021 1.00 0.00 H new ATOM 216 N LEU A 15 -2.647 14.482 -1.567 1.00 0.00 N ATOM 217 CA LEU A 15 -2.720 13.467 -2.594 1.00 0.00 C ATOM 218 C LEU A 15 -2.751 14.127 -3.974 1.00 0.00 C ATOM 219 O LEU A 15 -2.307 13.535 -4.958 1.00 0.00 O ATOM 220 CB LEU A 15 -3.962 12.595 -2.401 1.00 0.00 C ATOM 221 CG LEU A 15 -3.961 11.280 -3.184 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.999 10.283 -2.555 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.365 10.699 -3.249 1.00 0.00 C ATOM 0 H LEU A 15 -3.522 14.637 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.838 12.831 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.066 12.368 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.840 13.172 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.625 11.485 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.013 9.355 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.991 10.697 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.304 10.082 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.346 9.764 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.727 10.509 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.029 11.406 -3.746 1.00 0.00 H new ATOM 235 N LEU A 16 -3.289 15.356 -4.049 1.00 0.00 N ATOM 236 CA LEU A 16 -3.369 16.056 -5.333 1.00 0.00 C ATOM 237 C LEU A 16 -1.974 16.256 -5.936 1.00 0.00 C ATOM 238 O LEU A 16 -1.728 15.860 -7.075 1.00 0.00 O ATOM 239 CB LEU A 16 -4.097 17.401 -5.170 1.00 0.00 C ATOM 240 CG LEU A 16 -3.899 18.413 -6.307 1.00 0.00 C ATOM 241 CD1 LEU A 16 -2.595 19.176 -6.129 1.00 0.00 C ATOM 242 CD2 LEU A 16 -3.932 17.717 -7.661 1.00 0.00 C ATOM 0 H LEU A 16 -3.666 15.872 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.944 15.439 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.164 17.204 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.766 17.861 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.721 19.128 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.475 19.888 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.614 19.713 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.760 18.475 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.790 18.453 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.135 16.975 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.895 17.224 -7.793 1.00 0.00 H new ATOM 254 N PRO A 17 -1.029 16.849 -5.179 1.00 0.00 N ATOM 255 CA PRO A 17 0.342 17.061 -5.659 1.00 0.00 C ATOM 256 C PRO A 17 1.047 15.742 -5.971 1.00 0.00 C ATOM 257 O PRO A 17 2.101 15.725 -6.606 1.00 0.00 O ATOM 258 CB PRO A 17 1.041 17.771 -4.493 1.00 0.00 C ATOM 259 CG PRO A 17 -0.057 18.293 -3.633 1.00 0.00 C ATOM 260 CD PRO A 17 -1.211 17.350 -3.810 1.00 0.00 C ATOM 0 HA PRO A 17 0.360 17.633 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.680 17.082 -3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.678 18.580 -4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.253 18.337 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.333 19.306 -3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.186 16.542 -3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.168 17.858 -3.691 1.00 0.00 H new ATOM 268 N LEU A 18 0.455 14.636 -5.519 1.00 0.00 N ATOM 269 CA LEU A 18 1.018 13.308 -5.746 1.00 0.00 C ATOM 270 C LEU A 18 0.611 12.758 -7.113 1.00 0.00 C ATOM 271 O LEU A 18 0.481 11.547 -7.293 1.00 0.00 O ATOM 272 CB LEU A 18 0.565 12.348 -4.645 1.00 0.00 C ATOM 273 CG LEU A 18 1.386 11.064 -4.527 1.00 0.00 C ATOM 274 CD1 LEU A 18 2.767 11.365 -3.965 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.664 10.047 -3.655 1.00 0.00 C ATOM 0 H LEU A 18 -0.418 14.636 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 18 2.104 13.397 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.600 12.872 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.476 12.080 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 18 1.505 10.638 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.338 10.440 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.286 12.058 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.668 11.814 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.263 9.139 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.514 10.463 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.303 9.809 -4.098 1.00 0.00 H new ATOM 287 N HIS A 19 0.421 13.656 -8.073 1.00 0.00 N ATOM 288 CA HIS A 19 0.043 13.273 -9.429 1.00 0.00 C ATOM 289 C HIS A 19 1.273 13.249 -10.324 1.00 0.00 C ATOM 290 O HIS A 19 1.248 13.719 -11.462 1.00 0.00 O ATOM 291 CB HIS A 19 -0.997 14.245 -9.989 1.00 0.00 C ATOM 292 CG HIS A 19 -2.407 13.770 -9.831 1.00 0.00 C ATOM 293 ND1 HIS A 19 -2.915 12.680 -10.506 1.00 0.00 N ATOM 294 CD2 HIS A 19 -3.420 14.243 -9.067 1.00 0.00 C ATOM 295 CE1 HIS A 19 -4.180 12.505 -10.165 1.00 0.00 C ATOM 296 NE2 HIS A 19 -4.510 13.439 -9.294 1.00 0.00 N ATOM 0 H HIS A 19 0.523 14.662 -7.936 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.395 12.275 -9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.889 15.208 -9.489 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.795 14.411 -11.047 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.379 15.094 -8.403 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.833 11.729 -10.537 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.426 13.547 -8.859 1.00 0.00 H new ATOM 305 N ARG A 20 2.356 12.708 -9.785 1.00 0.00 N ATOM 306 CA ARG A 20 3.625 12.623 -10.503 1.00 0.00 C ATOM 307 C ARG A 20 3.609 11.542 -11.590 1.00 0.00 C ATOM 308 O ARG A 20 4.636 11.296 -12.222 1.00 0.00 O ATOM 309 CB ARG A 20 4.762 12.355 -9.513 1.00 0.00 C ATOM 310 CG ARG A 20 4.668 13.188 -8.242 1.00 0.00 C ATOM 311 CD ARG A 20 5.827 12.915 -7.296 1.00 0.00 C ATOM 312 NE ARG A 20 6.169 11.495 -7.235 1.00 0.00 N ATOM 313 CZ ARG A 20 7.028 10.901 -8.062 1.00 0.00 C ATOM 314 NH1 ARG A 20 7.634 11.596 -9.017 1.00 0.00 N ATOM 315 NH2 ARG A 20 7.283 9.606 -7.930 1.00 0.00 N ATOM 0 H ARG A 20 2.383 12.317 -8.843 1.00 0.00 H new ATOM 0 HA ARG A 20 3.784 13.579 -11.002 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.760 11.298 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.715 12.558 -10.002 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.654 14.246 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.728 12.972 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.699 13.483 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.569 13.268 -6.297 1.00 0.00 H new ATOM 0 HE ARG A 20 5.723 10.925 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.443 12.593 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.290 11.133 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.822 9.068 -7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.940 9.149 -8.562 1.00 0.00 H new ATOM 329 N ARG A 21 2.445 10.907 -11.800 1.00 0.00 N ATOM 330 CA ARG A 21 2.272 9.849 -12.811 1.00 0.00 C ATOM 331 C ARG A 21 1.492 8.677 -12.216 1.00 0.00 C ATOM 332 O ARG A 21 1.724 8.296 -11.069 1.00 0.00 O ATOM 333 CB ARG A 21 3.622 9.350 -13.357 1.00 0.00 C ATOM 334 CG ARG A 21 3.521 8.132 -14.268 1.00 0.00 C ATOM 335 CD ARG A 21 3.763 8.501 -15.725 1.00 0.00 C ATOM 336 NE ARG A 21 2.809 9.498 -16.207 1.00 0.00 N ATOM 337 CZ ARG A 21 2.498 9.669 -17.490 1.00 0.00 C ATOM 338 NH1 ARG A 21 3.070 8.920 -18.426 1.00 0.00 N ATOM 339 NH2 ARG A 21 1.613 10.592 -17.839 1.00 0.00 N ATOM 0 H ARG A 21 1.596 11.112 -11.274 1.00 0.00 H new ATOM 0 HA ARG A 21 1.714 10.279 -13.642 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.100 10.161 -13.906 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.273 9.107 -12.517 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.248 7.382 -13.956 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.534 7.681 -14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.776 8.886 -15.837 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.692 7.605 -16.342 1.00 0.00 H new ATOM 0 HE ARG A 21 2.354 10.099 -15.519 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.752 8.209 -18.164 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.827 9.056 -19.407 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.171 11.171 -17.125 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.374 10.724 -18.822 1.00 0.00 H new ATOM 353 N PRO A 22 0.553 8.090 -12.984 1.00 0.00 N ATOM 354 CA PRO A 22 -0.255 6.955 -12.516 1.00 0.00 C ATOM 355 C PRO A 22 0.603 5.747 -12.149 1.00 0.00 C ATOM 356 O PRO A 22 0.630 4.746 -12.867 1.00 0.00 O ATOM 357 CB PRO A 22 -1.162 6.632 -13.710 1.00 0.00 C ATOM 358 CG PRO A 22 -0.495 7.256 -14.886 1.00 0.00 C ATOM 359 CD PRO A 22 0.201 8.479 -14.361 1.00 0.00 C ATOM 0 HA PRO A 22 -0.807 7.199 -11.608 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.269 5.556 -13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.164 7.037 -13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.216 6.568 -15.343 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.222 7.519 -15.654 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.085 8.725 -14.950 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.449 9.354 -14.380 1.00 0.00 H new ATOM 367 N ASN A 23 1.299 5.856 -11.025 1.00 0.00 N ATOM 368 CA ASN A 23 2.163 4.790 -10.537 1.00 0.00 C ATOM 369 C ASN A 23 1.865 4.494 -9.071 1.00 0.00 C ATOM 370 O ASN A 23 2.745 4.076 -8.333 1.00 0.00 O ATOM 371 CB ASN A 23 3.627 5.188 -10.680 1.00 0.00 C ATOM 372 CG ASN A 23 3.887 6.599 -10.227 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.228 7.110 -9.321 1.00 0.00 O ATOM 374 ND2 ASN A 23 4.851 7.239 -10.861 1.00 0.00 N ATOM 0 H ASN A 23 1.281 6.683 -10.428 1.00 0.00 H new ATOM 0 HA ASN A 23 1.971 3.897 -11.132 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.245 4.503 -10.099 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.929 5.083 -11.722 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.078 8.200 -10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.369 6.772 -11.606 1.00 0.00 H new ATOM 381 N ILE A 24 0.630 4.749 -8.639 1.00 0.00 N ATOM 382 CA ILE A 24 0.261 4.544 -7.239 1.00 0.00 C ATOM 383 C ILE A 24 -0.500 3.244 -6.991 1.00 0.00 C ATOM 384 O ILE A 24 -1.350 2.833 -7.781 1.00 0.00 O ATOM 385 CB ILE A 24 -0.587 5.719 -6.713 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.848 5.561 -5.212 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.899 5.814 -7.479 1.00 0.00 C ATOM 388 CD1 ILE A 24 -1.010 6.876 -4.483 1.00 0.00 C ATOM 0 H ILE A 24 -0.125 5.094 -9.232 1.00 0.00 H new ATOM 0 HA ILE A 24 1.207 4.484 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.032 6.644 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.748 4.963 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.023 5.007 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.485 6.649 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.692 5.973 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.461 4.888 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.192 6.686 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.102 7.468 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.854 7.424 -4.903 1.00 0.00 H new ATOM 400 N ALA A 25 -0.186 2.622 -5.854 1.00 0.00 N ATOM 401 CA ALA A 25 -0.822 1.382 -5.426 1.00 0.00 C ATOM 402 C ALA A 25 -0.684 1.224 -3.910 1.00 0.00 C ATOM 403 O ALA A 25 0.420 1.296 -3.373 1.00 0.00 O ATOM 404 CB ALA A 25 -0.213 0.192 -6.152 1.00 0.00 C ATOM 0 H ALA A 25 0.520 2.968 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.882 1.422 -5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.700 -0.725 -5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.355 0.310 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.853 0.137 -5.931 1.00 0.00 H new ATOM 410 N ILE A 26 -1.806 1.032 -3.220 1.00 0.00 N ATOM 411 CA ILE A 26 -1.790 0.894 -1.763 1.00 0.00 C ATOM 412 C ILE A 26 -1.555 -0.556 -1.321 1.00 0.00 C ATOM 413 O ILE A 26 -2.333 -1.451 -1.649 1.00 0.00 O ATOM 414 CB ILE A 26 -3.104 1.428 -1.147 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.930 1.723 0.345 1.00 0.00 C ATOM 416 CG2 ILE A 26 -4.241 0.446 -1.369 1.00 0.00 C ATOM 417 CD1 ILE A 26 -2.677 0.491 1.186 1.00 0.00 C ATOM 0 H ILE A 26 -2.733 0.969 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.954 1.491 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.355 2.362 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.099 2.416 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.825 2.225 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.155 0.842 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.389 0.297 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.995 -0.507 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.564 0.781 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.518 -0.195 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.766 -0.001 0.846 1.00 0.00 H new ATOM 429 N ILE A 27 -0.471 -0.774 -0.570 1.00 0.00 N ATOM 430 CA ILE A 27 -0.134 -2.103 -0.077 1.00 0.00 C ATOM 431 C ILE A 27 -0.636 -2.337 1.350 1.00 0.00 C ATOM 432 O ILE A 27 -0.579 -1.453 2.202 1.00 0.00 O ATOM 433 CB ILE A 27 1.386 -2.381 -0.144 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.159 -1.486 0.835 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.894 -2.203 -1.568 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.635 -0.175 0.243 1.00 0.00 C ATOM 0 H ILE A 27 0.185 -0.044 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.644 -2.801 -0.740 1.00 0.00 H new ATOM 0 HB ILE A 27 1.557 -3.415 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.522 -1.273 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.022 -2.037 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.965 -2.402 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.376 -2.898 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.705 -1.181 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.171 0.394 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.300 -0.375 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.777 0.401 -0.103 1.00 0.00 H new ATOM 448 N ASP A 28 -1.106 -3.555 1.597 1.00 0.00 N ATOM 449 CA ASP A 28 -1.595 -3.941 2.912 1.00 0.00 C ATOM 450 C ASP A 28 -1.102 -5.341 3.265 1.00 0.00 C ATOM 451 O ASP A 28 -1.432 -6.314 2.588 1.00 0.00 O ATOM 452 CB ASP A 28 -3.122 -3.889 2.957 1.00 0.00 C ATOM 453 CG ASP A 28 -3.633 -2.611 3.588 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.117 -1.528 3.237 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.549 -2.692 4.433 1.00 0.00 O ATOM 0 H ASP A 28 -1.158 -4.295 0.897 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.207 -3.235 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.517 -3.975 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.496 -4.745 3.519 1.00 0.00 H new ATOM 460 N VAL A 29 -0.304 -5.436 4.324 1.00 0.00 N ATOM 461 CA VAL A 29 0.243 -6.718 4.761 1.00 0.00 C ATOM 462 C VAL A 29 0.085 -6.899 6.271 1.00 0.00 C ATOM 463 O VAL A 29 0.518 -6.051 7.053 1.00 0.00 O ATOM 464 CB VAL A 29 1.739 -6.857 4.365 1.00 0.00 C ATOM 465 CG1 VAL A 29 2.061 -5.985 3.160 1.00 0.00 C ATOM 466 CG2 VAL A 29 2.667 -6.515 5.526 1.00 0.00 C ATOM 0 H VAL A 29 -0.021 -4.641 4.896 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.323 -7.500 4.255 1.00 0.00 H new ATOM 0 HB VAL A 29 1.907 -7.901 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.114 -6.098 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.444 -6.290 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.857 -4.942 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.704 -6.625 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.491 -5.487 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.470 -7.189 6.360 1.00 0.00 H new ATOM 476 N ARG A 30 -0.535 -8.008 6.681 1.00 0.00 N ATOM 477 CA ARG A 30 -0.737 -8.286 8.105 1.00 0.00 C ATOM 478 C ARG A 30 -1.682 -9.470 8.321 1.00 0.00 C ATOM 479 O ARG A 30 -1.370 -10.391 9.077 1.00 0.00 O ATOM 480 CB ARG A 30 -1.271 -7.033 8.823 1.00 0.00 C ATOM 481 CG ARG A 30 -2.299 -7.311 9.913 1.00 0.00 C ATOM 482 CD ARG A 30 -1.704 -8.122 11.054 1.00 0.00 C ATOM 483 NE ARG A 30 -1.406 -7.288 12.217 1.00 0.00 N ATOM 484 CZ ARG A 30 -1.343 -7.747 13.465 1.00 0.00 C ATOM 485 NH1 ARG A 30 -1.556 -9.033 13.720 1.00 0.00 N ATOM 486 NH2 ARG A 30 -1.066 -6.917 14.463 1.00 0.00 N ATOM 0 H ARG A 30 -0.903 -8.723 6.053 1.00 0.00 H new ATOM 0 HA ARG A 30 0.229 -8.555 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.430 -6.498 9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.718 -6.370 8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.684 -6.367 10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.145 -7.850 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.400 -8.910 11.341 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.791 -8.611 10.714 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.236 -6.294 12.063 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.769 -9.676 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.506 -9.378 14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.902 -5.928 14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.018 -7.268 15.420 1.00 0.00 H new ATOM 500 N ASP A 31 -2.842 -9.431 7.673 1.00 0.00 N ATOM 501 CA ASP A 31 -3.837 -10.490 7.815 1.00 0.00 C ATOM 502 C ASP A 31 -5.095 -10.162 7.010 1.00 0.00 C ATOM 503 O ASP A 31 -5.026 -9.459 6.006 1.00 0.00 O ATOM 504 CB ASP A 31 -4.189 -10.684 9.296 1.00 0.00 C ATOM 505 CG ASP A 31 -4.306 -12.147 9.676 1.00 0.00 C ATOM 506 OD1 ASP A 31 -3.663 -12.986 9.011 1.00 0.00 O ATOM 507 OD2 ASP A 31 -5.042 -12.453 10.638 1.00 0.00 O ATOM 0 H ASP A 31 -3.117 -8.677 7.044 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.415 -11.417 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.425 -10.211 9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.131 -10.179 9.512 1.00 0.00 H new ATOM 512 N GLU A 32 -6.242 -10.676 7.455 1.00 0.00 N ATOM 513 CA GLU A 32 -7.512 -10.439 6.772 1.00 0.00 C ATOM 514 C GLU A 32 -7.747 -8.950 6.511 1.00 0.00 C ATOM 515 O GLU A 32 -8.062 -8.555 5.389 1.00 0.00 O ATOM 516 CB GLU A 32 -8.666 -11.008 7.598 1.00 0.00 C ATOM 517 CG GLU A 32 -8.600 -10.636 9.072 1.00 0.00 C ATOM 518 CD GLU A 32 -8.865 -11.816 9.987 1.00 0.00 C ATOM 519 OE1 GLU A 32 -9.939 -12.441 9.855 1.00 0.00 O ATOM 520 OE2 GLU A 32 -8.000 -12.114 10.837 1.00 0.00 O ATOM 0 H GLU A 32 -6.317 -11.260 8.288 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.467 -10.945 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.609 -10.652 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.667 -12.094 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.616 -10.223 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.329 -9.852 9.277 1.00 0.00 H new ATOM 527 N GLU A 33 -7.596 -8.129 7.549 1.00 0.00 N ATOM 528 CA GLU A 33 -7.799 -6.685 7.419 1.00 0.00 C ATOM 529 C GLU A 33 -6.940 -6.110 6.297 1.00 0.00 C ATOM 530 O GLU A 33 -7.411 -5.325 5.477 1.00 0.00 O ATOM 531 CB GLU A 33 -7.477 -5.981 8.738 1.00 0.00 C ATOM 532 CG GLU A 33 -8.607 -6.043 9.754 1.00 0.00 C ATOM 533 CD GLU A 33 -9.437 -4.774 9.781 1.00 0.00 C ATOM 534 OE1 GLU A 33 -8.954 -3.760 10.329 1.00 0.00 O ATOM 535 OE2 GLU A 33 -10.571 -4.794 9.257 1.00 0.00 O ATOM 0 H GLU A 33 -7.335 -8.436 8.486 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.847 -6.514 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.584 -6.432 9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.240 -4.937 8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.253 -6.890 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.190 -6.221 10.745 1.00 0.00 H new ATOM 542 N ARG A 34 -5.680 -6.509 6.260 1.00 0.00 N ATOM 543 CA ARG A 34 -4.766 -6.039 5.228 1.00 0.00 C ATOM 544 C ARG A 34 -4.899 -6.886 3.962 1.00 0.00 C ATOM 545 O ARG A 34 -4.377 -6.531 2.907 1.00 0.00 O ATOM 546 CB ARG A 34 -3.328 -6.065 5.740 1.00 0.00 C ATOM 547 CG ARG A 34 -2.981 -4.869 6.611 1.00 0.00 C ATOM 548 CD ARG A 34 -3.775 -4.886 7.907 1.00 0.00 C ATOM 549 NE ARG A 34 -3.105 -4.147 8.973 1.00 0.00 N ATOM 550 CZ ARG A 34 -3.590 -4.027 10.207 1.00 0.00 C ATOM 551 NH1 ARG A 34 -4.744 -4.598 10.534 1.00 0.00 N ATOM 552 NH2 ARG A 34 -2.920 -3.337 11.117 1.00 0.00 N ATOM 0 H ARG A 34 -5.265 -7.156 6.931 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.028 -5.010 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.169 -6.980 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.647 -6.097 4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.914 -4.876 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.187 -3.947 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.761 -4.455 7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.929 -5.918 8.223 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.215 -3.697 8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.264 -5.132 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.110 -4.502 11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.033 -2.898 10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.291 -3.245 12.063 1.00 0.00 H new ATOM 566 N ASN A 35 -5.592 -8.014 4.082 1.00 0.00 N ATOM 567 CA ASN A 35 -5.787 -8.921 2.957 1.00 0.00 C ATOM 568 C ASN A 35 -6.887 -8.425 2.026 1.00 0.00 C ATOM 569 O ASN A 35 -6.782 -8.559 0.806 1.00 0.00 O ATOM 570 CB ASN A 35 -6.130 -10.323 3.464 1.00 0.00 C ATOM 571 CG ASN A 35 -6.224 -11.336 2.340 1.00 0.00 C ATOM 572 OD1 ASN A 35 -5.217 -11.892 1.903 1.00 0.00 O ATOM 573 ND2 ASN A 35 -7.441 -11.580 1.866 1.00 0.00 N ATOM 0 H ASN A 35 -6.029 -8.322 4.950 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.855 -8.957 2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.371 -10.645 4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.078 -10.291 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.568 -12.252 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.248 -11.095 2.259 1.00 0.00 H new ATOM 580 N TYR A 36 -7.942 -7.856 2.598 1.00 0.00 N ATOM 581 CA TYR A 36 -9.049 -7.352 1.796 1.00 0.00 C ATOM 582 C TYR A 36 -8.760 -5.936 1.290 1.00 0.00 C ATOM 583 O TYR A 36 -9.004 -5.636 0.121 1.00 0.00 O ATOM 584 CB TYR A 36 -10.369 -7.414 2.585 1.00 0.00 C ATOM 585 CG TYR A 36 -10.627 -6.228 3.484 1.00 0.00 C ATOM 586 CD1 TYR A 36 -9.830 -5.990 4.593 1.00 0.00 C ATOM 587 CD2 TYR A 36 -11.667 -5.347 3.223 1.00 0.00 C ATOM 588 CE1 TYR A 36 -10.056 -4.906 5.416 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.900 -4.257 4.039 1.00 0.00 C ATOM 590 CZ TYR A 36 -11.091 -4.041 5.134 1.00 0.00 C ATOM 591 OH TYR A 36 -11.315 -2.956 5.947 1.00 0.00 O ATOM 0 H TYR A 36 -8.054 -7.733 3.604 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.157 -7.994 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.194 -7.503 1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.371 -8.319 3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.017 -6.665 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -12.305 -5.516 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.425 -4.736 6.276 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.711 -3.578 3.820 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.391 -2.147 5.399 1.00 0.00 H new ATOM 601 N ASP A 37 -8.231 -5.073 2.167 1.00 0.00 N ATOM 602 CA ASP A 37 -7.902 -3.692 1.791 1.00 0.00 C ATOM 603 C ASP A 37 -8.951 -3.139 0.836 1.00 0.00 C ATOM 604 O ASP A 37 -8.632 -2.507 -0.170 1.00 0.00 O ATOM 605 CB ASP A 37 -6.522 -3.636 1.133 1.00 0.00 C ATOM 606 CG ASP A 37 -5.987 -2.223 0.992 1.00 0.00 C ATOM 607 OD1 ASP A 37 -6.772 -1.319 0.640 1.00 0.00 O ATOM 608 OD2 ASP A 37 -4.778 -2.022 1.227 1.00 0.00 O ATOM 0 H ASP A 37 -8.022 -5.305 3.138 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.890 -3.082 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.821 -4.227 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.577 -4.097 0.147 1.00 0.00 H new ATOM 613 N GLY A 38 -10.203 -3.423 1.144 1.00 0.00 N ATOM 614 CA GLY A 38 -11.285 -2.988 0.289 1.00 0.00 C ATOM 615 C GLY A 38 -11.305 -3.795 -0.989 1.00 0.00 C ATOM 616 O GLY A 38 -10.379 -3.709 -1.794 1.00 0.00 O ATOM 0 H GLY A 38 -10.491 -3.947 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.236 -3.098 0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.170 -1.929 0.056 1.00 0.00 H new ATOM 620 N HIS A 39 -12.341 -4.598 -1.172 1.00 0.00 N ATOM 621 CA HIS A 39 -12.438 -5.431 -2.359 1.00 0.00 C ATOM 622 C HIS A 39 -12.767 -4.595 -3.589 1.00 0.00 C ATOM 623 O HIS A 39 -12.117 -4.733 -4.624 1.00 0.00 O ATOM 624 CB HIS A 39 -13.480 -6.520 -2.158 1.00 0.00 C ATOM 625 CG HIS A 39 -12.932 -7.793 -1.602 1.00 0.00 C ATOM 626 ND1 HIS A 39 -13.733 -8.663 -0.904 1.00 0.00 N ATOM 627 CD2 HIS A 39 -11.676 -8.296 -1.664 1.00 0.00 C ATOM 628 CE1 HIS A 39 -12.952 -9.671 -0.558 1.00 0.00 C ATOM 629 NE2 HIS A 39 -11.696 -9.493 -0.996 1.00 0.00 N ATOM 0 H HIS A 39 -13.120 -4.690 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.469 -5.902 -2.523 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -14.255 -6.147 -1.488 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.959 -6.730 -3.114 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -14.726 -8.554 -0.696 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.823 -7.842 -2.147 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.283 -10.530 0.006 1.00 0.00 H new ATOM 637 N ILE A 40 -13.761 -3.707 -3.471 1.00 0.00 N ATOM 638 CA ILE A 40 -14.132 -2.837 -4.588 1.00 0.00 C ATOM 639 C ILE A 40 -12.859 -2.235 -5.183 1.00 0.00 C ATOM 640 O ILE A 40 -12.363 -2.697 -6.201 1.00 0.00 O ATOM 641 CB ILE A 40 -15.124 -1.723 -4.151 1.00 0.00 C ATOM 642 CG1 ILE A 40 -15.143 -0.570 -5.163 1.00 0.00 C ATOM 643 CG2 ILE A 40 -14.796 -1.206 -2.754 1.00 0.00 C ATOM 644 CD1 ILE A 40 -15.428 -1.012 -6.582 1.00 0.00 C ATOM 0 H ILE A 40 -14.315 -3.574 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.648 -3.431 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 40 -16.120 -2.166 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.897 0.156 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.180 -0.059 -5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -15.508 -0.428 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -14.859 -2.026 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.787 -0.794 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.426 -0.144 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -14.660 -1.715 -6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.404 -1.496 -6.623 1.00 0.00 H new ATOM 656 N ALA A 41 -12.315 -1.240 -4.504 1.00 0.00 N ATOM 657 CA ALA A 41 -11.074 -0.589 -4.903 1.00 0.00 C ATOM 658 C ALA A 41 -9.936 -1.234 -4.155 1.00 0.00 C ATOM 659 O ALA A 41 -10.126 -1.673 -3.043 1.00 0.00 O ATOM 660 CB ALA A 41 -11.132 0.905 -4.628 1.00 0.00 C ATOM 0 H ALA A 41 -12.724 -0.856 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.922 -0.711 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.194 1.368 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.955 1.347 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.288 1.073 -3.562 1.00 0.00 H new ATOM 666 N GLY A 42 -8.776 -1.364 -4.785 1.00 0.00 N ATOM 667 CA GLY A 42 -7.675 -2.028 -4.117 1.00 0.00 C ATOM 668 C GLY A 42 -6.443 -2.204 -4.986 1.00 0.00 C ATOM 669 O GLY A 42 -6.551 -2.422 -6.193 1.00 0.00 O ATOM 0 H GLY A 42 -8.580 -1.029 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.403 -1.456 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.009 -3.008 -3.774 1.00 0.00 H new ATOM 673 N SER A 43 -5.269 -2.134 -4.361 1.00 0.00 N ATOM 674 CA SER A 43 -4.009 -2.312 -5.071 1.00 0.00 C ATOM 675 C SER A 43 -3.429 -3.695 -4.762 1.00 0.00 C ATOM 676 O SER A 43 -3.723 -4.665 -5.460 1.00 0.00 O ATOM 677 CB SER A 43 -3.019 -1.211 -4.684 1.00 0.00 C ATOM 678 OG SER A 43 -1.681 -1.651 -4.820 1.00 0.00 O ATOM 0 H SER A 43 -5.167 -1.955 -3.362 1.00 0.00 H new ATOM 0 HA SER A 43 -4.192 -2.242 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.182 -0.335 -5.313 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.200 -0.902 -3.654 1.00 0.00 H new ATOM 0 HG SER A 43 -1.185 -1.450 -3.999 1.00 0.00 H new ATOM 684 N LEU A 44 -2.622 -3.787 -3.702 1.00 0.00 N ATOM 685 CA LEU A 44 -2.033 -5.061 -3.304 1.00 0.00 C ATOM 686 C LEU A 44 -2.315 -5.337 -1.831 1.00 0.00 C ATOM 687 O LEU A 44 -1.794 -4.654 -0.952 1.00 0.00 O ATOM 688 CB LEU A 44 -0.524 -5.050 -3.560 1.00 0.00 C ATOM 689 CG LEU A 44 -0.102 -4.465 -4.909 1.00 0.00 C ATOM 690 CD1 LEU A 44 1.396 -4.624 -5.114 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.874 -5.127 -6.043 1.00 0.00 C ATOM 0 H LEU A 44 -2.365 -2.998 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.484 -5.854 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.040 -4.481 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.151 -6.072 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.336 -3.400 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.678 -4.202 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.929 -4.102 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.656 -5.682 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.561 -4.698 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.673 -6.198 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.942 -4.959 -5.903 1.00 0.00 H new ATOM 703 N HIS A 45 -3.155 -6.333 -1.567 1.00 0.00 N ATOM 704 CA HIS A 45 -3.515 -6.680 -0.194 1.00 0.00 C ATOM 705 C HIS A 45 -3.235 -8.145 0.126 1.00 0.00 C ATOM 706 O HIS A 45 -3.402 -9.019 -0.725 1.00 0.00 O ATOM 707 CB HIS A 45 -4.990 -6.372 0.046 1.00 0.00 C ATOM 708 CG HIS A 45 -5.883 -6.802 -1.077 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.738 -8.005 -1.735 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.937 -6.181 -1.660 1.00 0.00 C ATOM 711 CE1 HIS A 45 -6.662 -8.106 -2.673 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.403 -7.012 -2.648 1.00 0.00 N ATOM 0 H HIS A 45 -3.598 -6.912 -2.281 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.894 -6.077 0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.311 -6.865 0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.108 -5.300 0.203 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.028 -8.707 -1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.336 -5.213 -1.396 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.790 -8.941 -3.346 1.00 0.00 H new ATOM 721 N TYR A 46 -2.848 -8.408 1.375 1.00 0.00 N ATOM 722 CA TYR A 46 -2.585 -9.770 1.835 1.00 0.00 C ATOM 723 C TYR A 46 -2.118 -9.788 3.294 1.00 0.00 C ATOM 724 O TYR A 46 -2.054 -8.749 3.950 1.00 0.00 O ATOM 725 CB TYR A 46 -1.583 -10.484 0.920 1.00 0.00 C ATOM 726 CG TYR A 46 -0.131 -10.138 1.155 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.307 -8.820 1.176 1.00 0.00 C ATOM 728 CD2 TYR A 46 0.808 -11.146 1.327 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.643 -8.520 1.364 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.141 -10.853 1.522 1.00 0.00 C ATOM 731 CZ TYR A 46 2.554 -9.539 1.537 1.00 0.00 C ATOM 732 OH TYR A 46 3.886 -9.241 1.724 1.00 0.00 O ATOM 0 H TYR A 46 -2.710 -7.692 2.088 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.525 -10.319 1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.707 -11.560 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.832 -10.251 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.406 -8.019 1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.489 -12.178 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.971 -7.491 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.857 -11.649 1.662 1.00 0.00 H new ATOM 0 HH TYR A 46 4.035 -8.980 2.657 1.00 0.00 H new ATOM 742 N ALA A 47 -1.830 -10.985 3.796 1.00 0.00 N ATOM 743 CA ALA A 47 -1.407 -11.167 5.183 1.00 0.00 C ATOM 744 C ALA A 47 0.106 -11.197 5.336 1.00 0.00 C ATOM 745 O ALA A 47 0.851 -10.952 4.386 1.00 0.00 O ATOM 746 CB ALA A 47 -1.978 -12.468 5.721 1.00 0.00 C ATOM 0 H ALA A 47 -1.882 -11.851 3.259 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.782 -10.312 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.662 -12.604 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.067 -12.434 5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.615 -13.301 5.119 1.00 0.00 H new ATOM 752 N SER A 48 0.544 -11.535 6.547 1.00 0.00 N ATOM 753 CA SER A 48 1.961 -11.645 6.857 1.00 0.00 C ATOM 754 C SER A 48 2.343 -13.111 7.014 1.00 0.00 C ATOM 755 O SER A 48 3.347 -13.446 7.641 1.00 0.00 O ATOM 756 CB SER A 48 2.301 -10.868 8.132 1.00 0.00 C ATOM 757 OG SER A 48 1.283 -11.016 9.107 1.00 0.00 O ATOM 0 H SER A 48 -0.072 -11.738 7.334 1.00 0.00 H new ATOM 0 HA SER A 48 2.531 -11.213 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.249 -11.223 8.535 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.430 -9.812 7.894 1.00 0.00 H new ATOM 0 HG SER A 48 0.443 -10.649 8.761 1.00 0.00 H new ATOM 763 N GLY A 49 1.540 -13.977 6.413 1.00 0.00 N ATOM 764 CA GLY A 49 1.809 -15.397 6.458 1.00 0.00 C ATOM 765 C GLY A 49 2.621 -15.822 5.254 1.00 0.00 C ATOM 766 O GLY A 49 3.238 -16.887 5.246 1.00 0.00 O ATOM 0 H GLY A 49 0.702 -13.718 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.349 -15.642 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.870 -15.950 6.484 1.00 0.00 H new ATOM 770 N SER A 50 2.622 -14.962 4.238 1.00 0.00 N ATOM 771 CA SER A 50 3.360 -15.207 3.015 1.00 0.00 C ATOM 772 C SER A 50 4.077 -13.938 2.563 1.00 0.00 C ATOM 773 O SER A 50 4.387 -13.780 1.382 1.00 0.00 O ATOM 774 CB SER A 50 2.420 -15.697 1.913 1.00 0.00 C ATOM 775 OG SER A 50 2.331 -17.110 1.907 1.00 0.00 O ATOM 0 H SER A 50 2.111 -14.080 4.245 1.00 0.00 H new ATOM 0 HA SER A 50 4.103 -15.980 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.429 -15.268 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.778 -15.348 0.944 1.00 0.00 H new ATOM 0 HG SER A 50 1.723 -17.396 1.194 1.00 0.00 H new ATOM 781 N PHE A 51 4.355 -13.036 3.511 1.00 0.00 N ATOM 782 CA PHE A 51 5.049 -11.796 3.199 1.00 0.00 C ATOM 783 C PHE A 51 6.341 -12.098 2.467 1.00 0.00 C ATOM 784 O PHE A 51 6.864 -11.262 1.733 1.00 0.00 O ATOM 785 CB PHE A 51 5.351 -11.009 4.477 1.00 0.00 C ATOM 786 CG PHE A 51 6.058 -11.813 5.533 1.00 0.00 C ATOM 787 CD1 PHE A 51 7.336 -12.306 5.316 1.00 0.00 C ATOM 788 CD2 PHE A 51 5.442 -12.075 6.743 1.00 0.00 C ATOM 789 CE1 PHE A 51 7.982 -13.047 6.288 1.00 0.00 C ATOM 790 CE2 PHE A 51 6.083 -12.815 7.719 1.00 0.00 C ATOM 791 CZ PHE A 51 7.354 -13.302 7.491 1.00 0.00 C ATOM 0 H PHE A 51 4.108 -13.147 4.495 1.00 0.00 H new ATOM 0 HA PHE A 51 4.404 -11.191 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.962 -10.143 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.416 -10.629 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.832 -12.109 4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.447 -11.697 6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.977 -13.426 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.589 -13.012 8.659 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.856 -13.881 8.252 1.00 0.00 H new ATOM 801 N ASP A 52 6.855 -13.307 2.675 1.00 0.00 N ATOM 802 CA ASP A 52 8.087 -13.720 2.039 1.00 0.00 C ATOM 803 C ASP A 52 7.832 -14.287 0.640 1.00 0.00 C ATOM 804 O ASP A 52 8.713 -14.909 0.046 1.00 0.00 O ATOM 805 CB ASP A 52 8.810 -14.755 2.903 1.00 0.00 C ATOM 806 CG ASP A 52 10.305 -14.514 2.964 1.00 0.00 C ATOM 807 OD1 ASP A 52 10.716 -13.334 2.982 1.00 0.00 O ATOM 808 OD2 ASP A 52 11.066 -15.504 2.992 1.00 0.00 O ATOM 0 H ASP A 52 6.433 -14.012 3.279 1.00 0.00 H new ATOM 0 HA ASP A 52 8.719 -12.838 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.400 -14.732 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.621 -15.752 2.505 1.00 0.00 H new ATOM 813 N ASP A 53 6.625 -14.072 0.119 1.00 0.00 N ATOM 814 CA ASP A 53 6.264 -14.564 -1.205 1.00 0.00 C ATOM 815 C ASP A 53 5.995 -13.411 -2.175 1.00 0.00 C ATOM 816 O ASP A 53 5.861 -13.627 -3.380 1.00 0.00 O ATOM 817 CB ASP A 53 5.034 -15.470 -1.113 1.00 0.00 C ATOM 818 CG ASP A 53 5.064 -16.591 -2.133 1.00 0.00 C ATOM 819 OD1 ASP A 53 6.020 -17.395 -2.105 1.00 0.00 O ATOM 820 OD2 ASP A 53 4.131 -16.665 -2.961 1.00 0.00 O ATOM 0 H ASP A 53 5.882 -13.560 0.595 1.00 0.00 H new ATOM 0 HA ASP A 53 7.107 -15.138 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.974 -15.896 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.134 -14.873 -1.260 1.00 0.00 H new ATOM 825 N LYS A 54 5.924 -12.188 -1.650 1.00 0.00 N ATOM 826 CA LYS A 54 5.679 -11.013 -2.485 1.00 0.00 C ATOM 827 C LYS A 54 6.967 -10.214 -2.695 1.00 0.00 C ATOM 828 O LYS A 54 7.026 -9.304 -3.521 1.00 0.00 O ATOM 829 CB LYS A 54 4.612 -10.121 -1.847 1.00 0.00 C ATOM 830 CG LYS A 54 3.329 -10.859 -1.495 1.00 0.00 C ATOM 831 CD LYS A 54 2.704 -11.514 -2.717 1.00 0.00 C ATOM 832 CE LYS A 54 2.336 -12.964 -2.447 1.00 0.00 C ATOM 833 NZ LYS A 54 1.448 -13.518 -3.506 1.00 0.00 N ATOM 0 H LYS A 54 6.032 -11.986 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 54 5.323 -11.357 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.021 -9.670 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.376 -9.306 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.541 -11.619 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.618 -10.162 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.812 -10.960 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.401 -11.464 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.244 -13.563 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.838 -13.038 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.220 -14.508 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.570 -12.962 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.933 -13.471 -4.425 1.00 0.00 H new ATOM 847 N ILE A 55 7.994 -10.572 -1.929 1.00 0.00 N ATOM 848 CA ILE A 55 9.287 -9.910 -2.007 1.00 0.00 C ATOM 849 C ILE A 55 9.871 -10.047 -3.413 1.00 0.00 C ATOM 850 O ILE A 55 10.252 -9.073 -4.058 1.00 0.00 O ATOM 851 CB ILE A 55 10.277 -10.503 -0.973 1.00 0.00 C ATOM 852 CG1 ILE A 55 9.573 -10.787 0.360 1.00 0.00 C ATOM 853 CG2 ILE A 55 11.441 -9.561 -0.742 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.759 -9.618 0.876 1.00 0.00 C ATOM 0 H ILE A 55 7.951 -11.325 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 55 9.137 -8.854 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 55 10.655 -11.442 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.918 -11.650 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.321 -11.056 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.123 -9.998 -0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.970 -9.399 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.069 -8.608 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.290 -9.890 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.412 -8.759 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.988 -9.362 0.149 1.00 0.00 H new ATOM 866 N SER A 56 9.911 -11.278 -3.882 1.00 0.00 N ATOM 867 CA SER A 56 10.416 -11.580 -5.214 1.00 0.00 C ATOM 868 C SER A 56 9.425 -11.134 -6.273 1.00 0.00 C ATOM 869 O SER A 56 9.720 -11.128 -7.467 1.00 0.00 O ATOM 870 CB SER A 56 10.719 -13.072 -5.356 1.00 0.00 C ATOM 871 OG SER A 56 9.769 -13.855 -4.653 1.00 0.00 O ATOM 0 H SER A 56 9.598 -12.095 -3.358 1.00 0.00 H new ATOM 0 HA SER A 56 11.346 -11.030 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.714 -13.349 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.719 -13.281 -4.976 1.00 0.00 H new ATOM 0 HG SER A 56 9.984 -14.805 -4.761 1.00 0.00 H new ATOM 877 N HIS A 57 8.256 -10.743 -5.810 1.00 0.00 N ATOM 878 CA HIS A 57 7.200 -10.261 -6.671 1.00 0.00 C ATOM 879 C HIS A 57 7.550 -8.873 -7.171 1.00 0.00 C ATOM 880 O HIS A 57 7.536 -8.602 -8.371 1.00 0.00 O ATOM 881 CB HIS A 57 5.897 -10.218 -5.884 1.00 0.00 C ATOM 882 CG HIS A 57 4.747 -10.880 -6.578 1.00 0.00 C ATOM 883 ND1 HIS A 57 4.399 -12.199 -6.369 1.00 0.00 N ATOM 884 CD2 HIS A 57 3.862 -10.399 -7.484 1.00 0.00 C ATOM 885 CE1 HIS A 57 3.352 -12.499 -7.117 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.006 -11.424 -7.801 1.00 0.00 N ATOM 0 H HIS A 57 8.012 -10.751 -4.820 1.00 0.00 H new ATOM 0 HA HIS A 57 7.084 -10.927 -7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.051 -10.699 -4.918 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.638 -9.178 -5.685 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.835 -9.396 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.862 -13.461 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.228 -11.365 -8.459 1.00 0.00 H new ATOM 895 N LEU A 58 7.898 -8.003 -6.230 1.00 0.00 N ATOM 896 CA LEU A 58 8.285 -6.646 -6.569 1.00 0.00 C ATOM 897 C LEU A 58 9.623 -6.678 -7.286 1.00 0.00 C ATOM 898 O LEU A 58 9.913 -5.836 -8.136 1.00 0.00 O ATOM 899 CB LEU A 58 8.367 -5.772 -5.313 1.00 0.00 C ATOM 900 CG LEU A 58 7.866 -4.336 -5.489 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.489 -4.324 -6.136 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.831 -3.615 -4.147 1.00 0.00 C ATOM 0 H LEU A 58 7.919 -8.215 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 58 7.531 -6.211 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.790 -6.247 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.404 -5.740 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 58 8.558 -3.810 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.151 -3.294 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.543 -4.801 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.786 -4.868 -5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.473 -2.596 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.161 -4.143 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.834 -3.590 -3.721 1.00 0.00 H new ATOM 914 N VAL A 59 10.426 -7.683 -6.947 1.00 0.00 N ATOM 915 CA VAL A 59 11.727 -7.864 -7.565 1.00 0.00 C ATOM 916 C VAL A 59 11.563 -8.333 -9.010 1.00 0.00 C ATOM 917 O VAL A 59 12.332 -7.953 -9.893 1.00 0.00 O ATOM 918 CB VAL A 59 12.578 -8.877 -6.760 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.077 -10.018 -7.635 1.00 0.00 C ATOM 920 CG2 VAL A 59 13.735 -8.172 -6.073 1.00 0.00 C ATOM 0 H VAL A 59 10.193 -8.385 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 59 12.247 -6.906 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 59 11.936 -9.315 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.670 -10.706 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.226 -10.549 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.694 -9.617 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.322 -8.899 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.367 -7.695 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.347 -7.415 -5.391 1.00 0.00 H new ATOM 930 N GLN A 60 10.555 -9.173 -9.232 1.00 0.00 N ATOM 931 CA GLN A 60 10.276 -9.716 -10.557 1.00 0.00 C ATOM 932 C GLN A 60 9.577 -8.701 -11.450 1.00 0.00 C ATOM 933 O GLN A 60 9.451 -8.916 -12.657 1.00 0.00 O ATOM 934 CB GLN A 60 9.413 -10.972 -10.442 1.00 0.00 C ATOM 935 CG GLN A 60 10.210 -12.227 -10.140 1.00 0.00 C ATOM 936 CD GLN A 60 11.306 -12.479 -11.156 1.00 0.00 C ATOM 937 OE1 GLN A 60 11.045 -12.938 -12.269 1.00 0.00 O ATOM 938 NE2 GLN A 60 12.543 -12.179 -10.778 1.00 0.00 N ATOM 0 H GLN A 60 9.915 -9.493 -8.506 1.00 0.00 H new ATOM 0 HA GLN A 60 11.234 -9.966 -11.013 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.672 -10.824 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.866 -11.114 -11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.652 -12.142 -9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.537 -13.084 -10.117 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.714 -11.801 -9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.322 -12.327 -11.419 1.00 0.00 H new ATOM 947 N ASN A 61 9.107 -7.608 -10.864 1.00 0.00 N ATOM 948 CA ASN A 61 8.410 -6.593 -11.631 1.00 0.00 C ATOM 949 C ASN A 61 9.356 -5.476 -12.060 1.00 0.00 C ATOM 950 O ASN A 61 9.617 -5.305 -13.251 1.00 0.00 O ATOM 951 CB ASN A 61 7.245 -6.038 -10.813 1.00 0.00 C ATOM 952 CG ASN A 61 6.088 -7.020 -10.722 1.00 0.00 C ATOM 953 OD1 ASN A 61 4.924 -6.623 -10.765 1.00 0.00 O ATOM 954 ND2 ASN A 61 6.396 -8.314 -10.596 1.00 0.00 N ATOM 0 H ASN A 61 9.196 -7.405 -9.868 1.00 0.00 H new ATOM 0 HA ASN A 61 8.018 -7.052 -12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.592 -5.794 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.896 -5.109 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.654 -9.011 -10.532 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.373 -8.605 -10.564 1.00 0.00 H new ATOM 961 N VAL A 62 9.870 -4.721 -11.089 1.00 0.00 N ATOM 962 CA VAL A 62 10.794 -3.620 -11.370 1.00 0.00 C ATOM 963 C VAL A 62 10.351 -2.826 -12.595 1.00 0.00 C ATOM 964 O VAL A 62 11.160 -2.466 -13.450 1.00 0.00 O ATOM 965 CB VAL A 62 12.230 -4.134 -11.591 1.00 0.00 C ATOM 966 CG1 VAL A 62 12.793 -4.719 -10.305 1.00 0.00 C ATOM 967 CG2 VAL A 62 12.266 -5.161 -12.712 1.00 0.00 C ATOM 0 H VAL A 62 9.662 -4.851 -10.099 1.00 0.00 H new ATOM 0 HA VAL A 62 10.782 -2.967 -10.497 1.00 0.00 H new ATOM 0 HB VAL A 62 12.855 -3.290 -11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.807 -5.076 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.808 -3.951 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.167 -5.550 -9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.289 -5.511 -12.852 1.00 0.00 H new ATOM 0 HG22 VAL A 62 11.626 -6.004 -12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.909 -4.704 -13.635 1.00 0.00 H new ATOM 977 N LYS A 63 9.051 -2.570 -12.671 1.00 0.00 N ATOM 978 CA LYS A 63 8.467 -1.832 -13.790 1.00 0.00 C ATOM 979 C LYS A 63 8.784 -0.335 -13.740 1.00 0.00 C ATOM 980 O LYS A 63 8.264 0.435 -14.545 1.00 0.00 O ATOM 981 CB LYS A 63 6.951 -2.036 -13.810 1.00 0.00 C ATOM 982 CG LYS A 63 6.263 -1.412 -15.012 1.00 0.00 C ATOM 983 CD LYS A 63 4.849 -1.942 -15.180 1.00 0.00 C ATOM 984 CE LYS A 63 4.789 -3.046 -16.223 1.00 0.00 C ATOM 985 NZ LYS A 63 5.255 -2.574 -17.556 1.00 0.00 N ATOM 0 H LYS A 63 8.375 -2.864 -11.966 1.00 0.00 H new ATOM 0 HA LYS A 63 8.914 -2.227 -14.702 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.738 -3.105 -13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.525 -1.614 -12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.235 -0.329 -14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.841 -1.621 -15.912 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.486 -2.322 -14.225 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.186 -1.127 -15.472 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.404 -3.885 -15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.766 -3.413 -16.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.751 -3.092 -18.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.063 -1.556 -17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.277 -2.744 -17.647 1.00 0.00 H new ATOM 999 N ASP A 64 9.632 0.084 -12.801 1.00 0.00 N ATOM 1000 CA ASP A 64 9.989 1.495 -12.677 1.00 0.00 C ATOM 1001 C ASP A 64 8.801 2.297 -12.159 1.00 0.00 C ATOM 1002 O ASP A 64 8.831 2.821 -11.045 1.00 0.00 O ATOM 1003 CB ASP A 64 10.456 2.054 -14.025 1.00 0.00 C ATOM 1004 CG ASP A 64 11.312 3.297 -13.874 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.259 3.269 -13.060 1.00 0.00 O ATOM 1006 OD2 ASP A 64 11.034 4.297 -14.568 1.00 0.00 O ATOM 0 H ASP A 64 10.081 -0.529 -12.120 1.00 0.00 H new ATOM 0 HA ASP A 64 10.809 1.580 -11.964 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.023 1.289 -14.555 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.586 2.288 -14.638 1.00 0.00 H new ATOM 1011 N LYS A 65 7.746 2.368 -12.965 1.00 0.00 N ATOM 1012 CA LYS A 65 6.537 3.083 -12.572 1.00 0.00 C ATOM 1013 C LYS A 65 5.894 2.374 -11.402 1.00 0.00 C ATOM 1014 O LYS A 65 5.064 1.483 -11.580 1.00 0.00 O ATOM 1015 CB LYS A 65 5.560 3.156 -13.742 1.00 0.00 C ATOM 1016 CG LYS A 65 4.118 3.478 -13.366 1.00 0.00 C ATOM 1017 CD LYS A 65 3.132 2.634 -14.159 1.00 0.00 C ATOM 1018 CE LYS A 65 3.266 2.876 -15.654 1.00 0.00 C ATOM 1019 NZ LYS A 65 3.129 4.317 -16.000 1.00 0.00 N ATOM 0 H LYS A 65 7.704 1.941 -13.890 1.00 0.00 H new ATOM 0 HA LYS A 65 6.801 4.099 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.913 3.913 -14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.577 2.202 -14.268 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.972 3.304 -12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.921 4.535 -13.547 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.300 1.579 -13.944 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.115 2.866 -13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.235 2.512 -15.995 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.506 2.302 -16.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.023 4.418 -17.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.291 4.710 -15.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.977 4.831 -15.687 1.00 0.00 H new ATOM 1033 N ASP A 66 6.282 2.770 -10.210 1.00 0.00 N ATOM 1034 CA ASP A 66 5.731 2.155 -9.013 1.00 0.00 C ATOM 1035 C ASP A 66 5.803 3.051 -7.787 1.00 0.00 C ATOM 1036 O ASP A 66 6.875 3.365 -7.283 1.00 0.00 O ATOM 1037 CB ASP A 66 6.461 0.840 -8.714 1.00 0.00 C ATOM 1038 CG ASP A 66 7.915 0.861 -9.147 1.00 0.00 C ATOM 1039 OD1 ASP A 66 8.724 1.540 -8.482 1.00 0.00 O ATOM 1040 OD2 ASP A 66 8.245 0.197 -10.152 1.00 0.00 O ATOM 0 H ASP A 66 6.968 3.505 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 66 4.677 1.974 -9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.408 0.636 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.948 0.022 -9.220 1.00 0.00 H new ATOM 1045 N THR A 67 4.634 3.378 -7.273 1.00 0.00 N ATOM 1046 CA THR A 67 4.499 4.147 -6.051 1.00 0.00 C ATOM 1047 C THR A 67 3.686 3.304 -5.089 1.00 0.00 C ATOM 1048 O THR A 67 2.643 2.774 -5.475 1.00 0.00 O ATOM 1049 CB THR A 67 3.827 5.497 -6.308 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.453 6.174 -7.381 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.858 6.418 -5.108 1.00 0.00 C ATOM 0 H THR A 67 3.743 3.115 -7.695 1.00 0.00 H new ATOM 0 HA THR A 67 5.480 4.374 -5.633 1.00 0.00 H new ATOM 0 HB THR A 67 2.789 5.261 -6.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.788 6.708 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.365 7.358 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.339 5.946 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.893 6.615 -4.827 1.00 0.00 H new ATOM 1059 N LEU A 68 4.146 3.136 -3.863 1.00 0.00 N ATOM 1060 CA LEU A 68 3.408 2.301 -2.928 1.00 0.00 C ATOM 1061 C LEU A 68 3.113 3.010 -1.623 1.00 0.00 C ATOM 1062 O LEU A 68 4.006 3.550 -0.978 1.00 0.00 O ATOM 1063 CB LEU A 68 4.185 1.014 -2.652 1.00 0.00 C ATOM 1064 CG LEU A 68 3.803 -0.174 -3.534 1.00 0.00 C ATOM 1065 CD1 LEU A 68 3.928 0.191 -5.005 1.00 0.00 C ATOM 1066 CD2 LEU A 68 4.670 -1.380 -3.206 1.00 0.00 C ATOM 0 H LEU A 68 5.002 3.552 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 68 2.451 2.067 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.249 1.215 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.037 0.735 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 68 2.763 -0.433 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.652 -0.667 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.265 1.026 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.957 0.476 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.385 -2.217 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.717 -1.133 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.530 -1.655 -2.161 1.00 0.00 H new ATOM 1078 N VAL A 69 1.851 2.950 -1.219 1.00 0.00 N ATOM 1079 CA VAL A 69 1.419 3.532 0.037 1.00 0.00 C ATOM 1080 C VAL A 69 0.825 2.426 0.886 1.00 0.00 C ATOM 1081 O VAL A 69 -0.087 1.736 0.444 1.00 0.00 O ATOM 1082 CB VAL A 69 0.383 4.660 -0.161 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.053 5.909 -0.711 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.748 4.209 -1.075 1.00 0.00 C ATOM 0 H VAL A 69 1.106 2.500 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 69 2.282 3.984 0.527 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.047 4.899 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.308 6.693 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.817 6.250 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.515 5.681 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.463 5.022 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.342 3.934 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.250 3.348 -0.635 1.00 0.00 H new ATOM 1094 N PHE A 70 1.356 2.209 2.082 1.00 0.00 N ATOM 1095 CA PHE A 70 0.849 1.116 2.902 1.00 0.00 C ATOM 1096 C PHE A 70 -0.087 1.605 3.991 1.00 0.00 C ATOM 1097 O PHE A 70 0.011 2.745 4.438 1.00 0.00 O ATOM 1098 CB PHE A 70 2.011 0.344 3.534 1.00 0.00 C ATOM 1099 CG PHE A 70 2.852 1.175 4.460 1.00 0.00 C ATOM 1100 CD1 PHE A 70 2.404 1.482 5.734 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.090 1.651 4.057 1.00 0.00 C ATOM 1102 CE1 PHE A 70 3.173 2.249 6.589 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.864 2.418 4.908 1.00 0.00 C ATOM 1104 CZ PHE A 70 4.404 2.718 6.175 1.00 0.00 C ATOM 0 H PHE A 70 2.112 2.754 2.496 1.00 0.00 H new ATOM 0 HA PHE A 70 0.282 0.458 2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.613 -0.508 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.644 -0.056 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.442 1.118 6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.454 1.420 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.811 2.481 7.580 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.827 2.782 4.582 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.006 3.318 6.841 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.985 0.699 4.407 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.989 0.951 5.467 1.00 0.00 C ATOM 1116 C HIS A 71 -3.399 0.637 4.969 1.00 0.00 C ATOM 1117 O HIS A 71 -3.966 -0.406 5.290 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.979 2.401 5.992 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.365 2.562 7.348 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.752 3.550 8.230 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -0.393 1.861 7.975 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -1.046 3.450 9.340 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -0.214 2.433 9.213 1.00 0.00 N ATOM 0 H HIS A 71 -1.040 -0.242 4.016 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.710 0.290 6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.437 3.027 5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.004 2.770 6.024 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.473 4.250 8.051 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.142 1.011 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.134 4.091 10.205 1.00 0.00 H new ATOM 1132 N SER A 72 -3.958 1.572 4.200 1.00 0.00 N ATOM 1133 CA SER A 72 -5.309 1.443 3.656 1.00 0.00 C ATOM 1134 C SER A 72 -6.357 1.627 4.750 1.00 0.00 C ATOM 1135 O SER A 72 -6.947 2.697 4.881 1.00 0.00 O ATOM 1136 CB SER A 72 -5.511 0.091 2.969 1.00 0.00 C ATOM 1137 OG SER A 72 -6.888 -0.152 2.732 1.00 0.00 O ATOM 0 H SER A 72 -3.488 2.438 3.937 1.00 0.00 H new ATOM 0 HA SER A 72 -5.432 2.229 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.966 0.072 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.099 -0.703 3.591 1.00 0.00 H new ATOM 0 HG SER A 72 -7.058 -0.159 1.767 1.00 0.00 H new ATOM 1143 N ALA A 73 -6.590 0.577 5.526 1.00 0.00 N ATOM 1144 CA ALA A 73 -7.577 0.627 6.597 1.00 0.00 C ATOM 1145 C ALA A 73 -7.032 1.314 7.848 1.00 0.00 C ATOM 1146 O ALA A 73 -7.733 1.413 8.854 1.00 0.00 O ATOM 1147 CB ALA A 73 -8.053 -0.778 6.937 1.00 0.00 C ATOM 0 H ALA A 73 -6.110 -0.318 5.434 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.419 1.220 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.790 -0.728 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.505 -1.232 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.205 -1.381 7.261 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.777 1.766 7.798 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.155 2.408 8.928 1.00 0.00 C ATOM 1155 C LEU A 74 -4.734 1.345 9.912 1.00 0.00 C ATOM 1156 O LEU A 74 -5.432 1.065 10.886 1.00 0.00 O ATOM 1157 CB LEU A 74 -6.096 3.424 9.582 1.00 0.00 C ATOM 1158 CG LEU A 74 -5.423 4.703 10.087 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -6.450 5.631 10.716 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -4.321 4.372 11.081 1.00 0.00 C ATOM 0 H LEU A 74 -5.179 1.692 6.975 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.280 2.964 8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.867 3.698 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.600 2.942 10.420 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.973 5.214 9.236 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.955 6.535 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.203 5.896 9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.929 5.128 11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.855 5.294 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.746 3.838 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.571 3.746 10.598 1.00 0.00 H new ATOM 1172 N SER A 75 -3.575 0.751 9.646 1.00 0.00 N ATOM 1173 CA SER A 75 -3.034 -0.290 10.506 1.00 0.00 C ATOM 1174 C SER A 75 -3.086 0.150 11.963 1.00 0.00 C ATOM 1175 O SER A 75 -2.984 -0.668 12.876 1.00 0.00 O ATOM 1176 CB SER A 75 -1.594 -0.611 10.104 1.00 0.00 C ATOM 1177 OG SER A 75 -1.556 -1.568 9.059 1.00 0.00 O ATOM 0 H SER A 75 -2.993 0.975 8.839 1.00 0.00 H new ATOM 0 HA SER A 75 -3.640 -1.189 10.390 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.091 0.301 9.784 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.048 -0.990 10.968 1.00 0.00 H new ATOM 0 HG SER A 75 -0.624 -1.754 8.820 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.257 1.458 12.165 1.00 0.00 N ATOM 1184 CA GLN A 76 -3.341 2.034 13.513 1.00 0.00 C ATOM 1185 C GLN A 76 -1.963 2.159 14.165 1.00 0.00 C ATOM 1186 O GLN A 76 -1.774 2.955 15.084 1.00 0.00 O ATOM 1187 CB GLN A 76 -4.251 1.177 14.404 1.00 0.00 C ATOM 1188 CG GLN A 76 -5.345 1.966 15.104 1.00 0.00 C ATOM 1189 CD GLN A 76 -6.150 2.838 14.157 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -6.708 3.857 14.565 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -6.219 2.448 12.886 1.00 0.00 N ATOM 0 H GLN A 76 -3.340 2.141 11.412 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.762 3.034 13.411 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.711 0.398 13.795 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.640 0.676 15.155 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.017 1.273 15.610 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.896 2.594 15.873 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.742 1.597 12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.748 3.000 12.211 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.011 1.362 13.693 1.00 0.00 N ATOM 1201 CA VAL A 77 0.346 1.372 14.234 1.00 0.00 C ATOM 1202 C VAL A 77 1.217 0.291 13.585 1.00 0.00 C ATOM 1203 O VAL A 77 2.431 0.265 13.782 1.00 0.00 O ATOM 1204 CB VAL A 77 0.341 1.159 15.764 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.299 -0.176 16.117 1.00 0.00 C ATOM 1206 CG2 VAL A 77 1.753 1.247 16.324 1.00 0.00 C ATOM 0 H VAL A 77 -1.154 0.697 12.933 1.00 0.00 H new ATOM 0 HA VAL A 77 0.765 2.352 14.007 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.253 1.952 16.218 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.293 -0.308 17.199 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.327 -0.194 15.755 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.264 -0.984 15.650 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.727 1.094 17.403 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.375 0.480 15.864 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.170 2.230 16.107 1.00 0.00 H new ATOM 1216 N ARG A 78 0.590 -0.600 12.816 1.00 0.00 N ATOM 1217 CA ARG A 78 1.302 -1.679 12.141 1.00 0.00 C ATOM 1218 C ARG A 78 2.029 -1.173 10.899 1.00 0.00 C ATOM 1219 O ARG A 78 3.006 -1.777 10.472 1.00 0.00 O ATOM 1220 CB ARG A 78 0.340 -2.811 11.774 1.00 0.00 C ATOM 1221 CG ARG A 78 0.724 -4.152 12.382 1.00 0.00 C ATOM 1222 CD ARG A 78 1.107 -5.163 11.313 1.00 0.00 C ATOM 1223 NE ARG A 78 1.581 -6.417 11.892 1.00 0.00 N ATOM 1224 CZ ARG A 78 2.255 -7.340 11.211 1.00 0.00 C ATOM 1225 NH1 ARG A 78 2.517 -7.163 9.921 1.00 0.00 N ATOM 1226 NH2 ARG A 78 2.664 -8.445 11.818 1.00 0.00 N ATOM 0 H ARG A 78 -0.416 -0.593 12.646 1.00 0.00 H new ATOM 0 HA ARG A 78 2.050 -2.067 12.832 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.664 -2.545 12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.304 -2.909 10.689 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.559 -4.015 13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.110 -4.539 12.967 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.245 -5.361 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.884 -4.741 10.676 1.00 0.00 H new ATOM 0 HE ARG A 78 1.384 -6.596 12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.201 -6.316 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.034 -7.874 9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.462 -8.588 12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.181 -9.152 11.296 1.00 0.00 H new ATOM 1240 N GLY A 79 1.547 -0.067 10.321 1.00 0.00 N ATOM 1241 CA GLY A 79 2.185 0.492 9.131 1.00 0.00 C ATOM 1242 C GLY A 79 3.699 0.358 9.188 1.00 0.00 C ATOM 1243 O GLY A 79 4.309 -0.251 8.311 1.00 0.00 O ATOM 0 H GLY A 79 0.732 0.449 10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.808 -0.016 8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.916 1.544 9.034 1.00 0.00 H new ATOM 1247 N PRO A 80 4.330 0.894 10.251 1.00 0.00 N ATOM 1248 CA PRO A 80 5.776 0.793 10.439 1.00 0.00 C ATOM 1249 C PRO A 80 6.206 -0.665 10.391 1.00 0.00 C ATOM 1250 O PRO A 80 7.264 -0.997 9.856 1.00 0.00 O ATOM 1251 CB PRO A 80 6.010 1.383 11.833 1.00 0.00 C ATOM 1252 CG PRO A 80 4.823 2.245 12.093 1.00 0.00 C ATOM 1253 CD PRO A 80 3.675 1.607 11.360 1.00 0.00 C ATOM 0 HA PRO A 80 6.345 1.312 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.099 0.598 12.584 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.933 1.962 11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.615 2.310 13.161 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.995 3.262 11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.118 0.925 12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.967 2.352 10.996 1.00 0.00 H new ATOM 1261 N THR A 81 5.350 -1.537 10.923 1.00 0.00 N ATOM 1262 CA THR A 81 5.617 -2.966 10.905 1.00 0.00 C ATOM 1263 C THR A 81 5.659 -3.443 9.460 1.00 0.00 C ATOM 1264 O THR A 81 6.448 -4.316 9.103 1.00 0.00 O ATOM 1265 CB THR A 81 4.543 -3.726 11.681 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.115 -2.980 12.808 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.005 -5.079 12.173 1.00 0.00 C ATOM 0 H THR A 81 4.471 -1.276 11.369 1.00 0.00 H new ATOM 0 HA THR A 81 6.577 -3.158 11.384 1.00 0.00 H new ATOM 0 HB THR A 81 3.727 -3.875 10.974 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.685 -3.580 13.453 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.194 -5.565 12.716 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.294 -5.696 11.322 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.861 -4.952 12.836 1.00 0.00 H new ATOM 1275 N CYS A 82 4.821 -2.833 8.622 1.00 0.00 N ATOM 1276 CA CYS A 82 4.790 -3.168 7.209 1.00 0.00 C ATOM 1277 C CYS A 82 6.151 -2.849 6.614 1.00 0.00 C ATOM 1278 O CYS A 82 6.689 -3.601 5.804 1.00 0.00 O ATOM 1279 CB CYS A 82 3.694 -2.382 6.487 1.00 0.00 C ATOM 1280 SG CYS A 82 3.351 -2.964 4.810 1.00 0.00 S ATOM 0 H CYS A 82 4.160 -2.108 8.901 1.00 0.00 H new ATOM 0 HA CYS A 82 4.567 -4.228 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.777 -2.436 7.073 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.983 -1.332 6.444 1.00 0.00 H new ATOM 0 HG CYS A 82 2.103 -2.741 4.520 1.00 0.00 H new ATOM 1286 N ALA A 83 6.716 -1.732 7.070 1.00 0.00 N ATOM 1287 CA ALA A 83 8.036 -1.323 6.627 1.00 0.00 C ATOM 1288 C ALA A 83 9.054 -2.351 7.088 1.00 0.00 C ATOM 1289 O ALA A 83 10.015 -2.650 6.382 1.00 0.00 O ATOM 1290 CB ALA A 83 8.381 0.061 7.157 1.00 0.00 C ATOM 0 H ALA A 83 6.279 -1.101 7.742 1.00 0.00 H new ATOM 0 HA ALA A 83 8.050 -1.267 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.375 0.346 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.650 0.783 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.366 0.048 8.247 1.00 0.00 H new ATOM 1296 N ARG A 84 8.811 -2.928 8.266 1.00 0.00 N ATOM 1297 CA ARG A 84 9.687 -3.963 8.792 1.00 0.00 C ATOM 1298 C ARG A 84 9.682 -5.133 7.819 1.00 0.00 C ATOM 1299 O ARG A 84 10.698 -5.788 7.602 1.00 0.00 O ATOM 1300 CB ARG A 84 9.237 -4.417 10.183 1.00 0.00 C ATOM 1301 CG ARG A 84 9.183 -3.291 11.205 1.00 0.00 C ATOM 1302 CD ARG A 84 10.515 -3.121 11.918 1.00 0.00 C ATOM 1303 NE ARG A 84 11.519 -2.494 11.061 1.00 0.00 N ATOM 1304 CZ ARG A 84 11.535 -1.197 10.763 1.00 0.00 C ATOM 1305 NH1 ARG A 84 10.616 -0.381 11.264 1.00 0.00 N ATOM 1306 NH2 ARG A 84 12.478 -0.712 9.966 1.00 0.00 N ATOM 0 H ARG A 84 8.020 -2.695 8.866 1.00 0.00 H new ATOM 0 HA ARG A 84 10.697 -3.566 8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.250 -4.873 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.918 -5.189 10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.914 -2.359 10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.402 -3.499 11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.372 -2.515 12.813 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.877 -4.095 12.247 1.00 0.00 H new ATOM 0 HE ARG A 84 12.251 -3.086 10.668 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.891 -0.747 11.882 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.634 0.612 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.190 -1.333 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.491 0.282 9.737 1.00 0.00 H new ATOM 1320 N ARG A 85 8.522 -5.360 7.204 1.00 0.00 N ATOM 1321 CA ARG A 85 8.385 -6.414 6.216 1.00 0.00 C ATOM 1322 C ARG A 85 9.283 -6.092 5.035 1.00 0.00 C ATOM 1323 O ARG A 85 9.959 -6.968 4.497 1.00 0.00 O ATOM 1324 CB ARG A 85 6.927 -6.551 5.768 1.00 0.00 C ATOM 1325 CG ARG A 85 6.401 -7.976 5.835 1.00 0.00 C ATOM 1326 CD ARG A 85 5.043 -8.046 6.518 1.00 0.00 C ATOM 1327 NE ARG A 85 5.049 -8.950 7.666 1.00 0.00 N ATOM 1328 CZ ARG A 85 5.587 -8.648 8.845 1.00 0.00 C ATOM 1329 NH1 ARG A 85 6.177 -7.474 9.033 1.00 0.00 N ATOM 1330 NH2 ARG A 85 5.538 -9.524 9.840 1.00 0.00 N ATOM 0 H ARG A 85 7.670 -4.827 7.376 1.00 0.00 H new ATOM 0 HA ARG A 85 8.684 -7.367 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.302 -5.912 6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.834 -6.186 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.322 -8.382 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.112 -8.601 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.751 -7.048 6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.294 -8.378 5.800 1.00 0.00 H new ATOM 0 HE ARG A 85 4.615 -9.867 7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.220 -6.797 8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.587 -7.249 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.088 -10.429 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.950 -9.293 10.744 1.00 0.00 H new ATOM 1344 N LEU A 86 9.330 -4.812 4.668 1.00 0.00 N ATOM 1345 CA LEU A 86 10.206 -4.386 3.588 1.00 0.00 C ATOM 1346 C LEU A 86 11.644 -4.680 3.999 1.00 0.00 C ATOM 1347 O LEU A 86 12.496 -4.957 3.159 1.00 0.00 O ATOM 1348 CB LEU A 86 10.014 -2.894 3.283 1.00 0.00 C ATOM 1349 CG LEU A 86 11.170 -2.217 2.541 1.00 0.00 C ATOM 1350 CD1 LEU A 86 10.658 -1.062 1.695 1.00 0.00 C ATOM 1351 CD2 LEU A 86 12.221 -1.729 3.528 1.00 0.00 C ATOM 0 H LEU A 86 8.781 -4.067 5.096 1.00 0.00 H new ATOM 0 HA LEU A 86 9.964 -4.931 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.107 -2.776 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.851 -2.367 4.223 1.00 0.00 H new ATOM 0 HG LEU A 86 11.631 -2.950 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.494 -0.593 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.940 -1.436 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.172 -0.328 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.036 -1.250 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.771 -1.011 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.610 -2.576 4.093 1.00 0.00 H new ATOM 1363 N VAL A 87 11.896 -4.678 5.312 1.00 0.00 N ATOM 1364 CA VAL A 87 13.218 -5.011 5.815 1.00 0.00 C ATOM 1365 C VAL A 87 13.490 -6.464 5.468 1.00 0.00 C ATOM 1366 O VAL A 87 14.599 -6.828 5.079 1.00 0.00 O ATOM 1367 CB VAL A 87 13.353 -4.805 7.337 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.789 -5.036 7.779 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.886 -3.413 7.733 1.00 0.00 C ATOM 0 H VAL A 87 11.208 -4.452 6.031 1.00 0.00 H new ATOM 0 HA VAL A 87 13.942 -4.342 5.350 1.00 0.00 H new ATOM 0 HB VAL A 87 12.717 -5.533 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.867 -4.887 8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.086 -6.055 7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.445 -4.332 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.989 -3.288 8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.493 -2.666 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.841 -3.286 7.451 1.00 0.00 H new ATOM 1379 N ASN A 88 12.439 -7.285 5.556 1.00 0.00 N ATOM 1380 CA ASN A 88 12.546 -8.689 5.187 1.00 0.00 C ATOM 1381 C ASN A 88 12.858 -8.768 3.692 1.00 0.00 C ATOM 1382 O ASN A 88 13.435 -9.743 3.209 1.00 0.00 O ATOM 1383 CB ASN A 88 11.240 -9.438 5.533 1.00 0.00 C ATOM 1384 CG ASN A 88 10.802 -10.440 4.471 1.00 0.00 C ATOM 1385 OD1 ASN A 88 11.617 -11.196 3.942 1.00 0.00 O ATOM 1386 ND2 ASN A 88 9.505 -10.456 4.162 1.00 0.00 N ATOM 0 H ASN A 88 11.514 -6.999 5.877 1.00 0.00 H new ATOM 0 HA ASN A 88 13.348 -9.169 5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.373 -9.962 6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.443 -8.709 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.155 -11.112 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.863 -9.812 4.624 1.00 0.00 H new ATOM 1393 N TYR A 89 12.482 -7.706 2.974 1.00 0.00 N ATOM 1394 CA TYR A 89 12.720 -7.609 1.541 1.00 0.00 C ATOM 1395 C TYR A 89 14.195 -7.365 1.266 1.00 0.00 C ATOM 1396 O TYR A 89 14.854 -8.175 0.614 1.00 0.00 O ATOM 1397 CB TYR A 89 11.865 -6.484 0.937 1.00 0.00 C ATOM 1398 CG TYR A 89 11.702 -6.571 -0.561 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.760 -6.269 -1.405 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.500 -6.978 -1.129 1.00 0.00 C ATOM 1401 CE1 TYR A 89 12.623 -6.363 -2.776 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.358 -7.081 -2.499 1.00 0.00 C ATOM 1403 CZ TYR A 89 11.423 -6.768 -3.315 1.00 0.00 C ATOM 1404 OH TYR A 89 11.291 -6.873 -4.676 1.00 0.00 O ATOM 0 H TYR A 89 12.007 -6.896 3.372 1.00 0.00 H new ATOM 0 HA TYR A 89 12.434 -8.551 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.879 -6.503 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.317 -5.524 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.704 -5.956 -0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.664 -7.217 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.454 -6.120 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.420 -7.404 -2.927 1.00 0.00 H new ATOM 0 HH TYR A 89 11.186 -7.816 -4.923 1.00 0.00 H new ATOM 1414 N LEU A 90 14.722 -6.265 1.793 1.00 0.00 N ATOM 1415 CA LEU A 90 16.133 -5.955 1.623 1.00 0.00 C ATOM 1416 C LEU A 90 16.948 -7.148 2.112 1.00 0.00 C ATOM 1417 O LEU A 90 18.010 -7.464 1.580 1.00 0.00 O ATOM 1418 CB LEU A 90 16.479 -4.658 2.384 1.00 0.00 C ATOM 1419 CG LEU A 90 17.730 -4.672 3.279 1.00 0.00 C ATOM 1420 CD1 LEU A 90 17.539 -5.601 4.470 1.00 0.00 C ATOM 1421 CD2 LEU A 90 18.967 -5.059 2.483 1.00 0.00 C ATOM 0 H LEU A 90 14.197 -5.580 2.337 1.00 0.00 H new ATOM 0 HA LEU A 90 16.371 -5.781 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.599 -3.860 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.623 -4.394 3.006 1.00 0.00 H new ATOM 0 HG LEU A 90 17.878 -3.662 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.438 -5.592 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.689 -5.262 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.353 -6.614 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 90 19.837 -5.061 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.830 -6.054 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 90 19.122 -4.340 1.679 1.00 0.00 H new ATOM 1433 N ASP A 91 16.407 -7.825 3.119 1.00 0.00 N ATOM 1434 CA ASP A 91 17.039 -9.008 3.679 1.00 0.00 C ATOM 1435 C ASP A 91 16.972 -10.164 2.686 1.00 0.00 C ATOM 1436 O ASP A 91 17.856 -11.021 2.654 1.00 0.00 O ATOM 1437 CB ASP A 91 16.357 -9.403 4.990 1.00 0.00 C ATOM 1438 CG ASP A 91 17.174 -10.397 5.793 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.397 -10.187 5.930 1.00 0.00 O ATOM 1440 OD2 ASP A 91 16.590 -11.386 6.283 1.00 0.00 O ATOM 0 H ASP A 91 15.526 -7.570 3.565 1.00 0.00 H new ATOM 0 HA ASP A 91 18.085 -8.779 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.186 -8.509 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.379 -9.833 4.772 1.00 0.00 H new ATOM 1445 N GLU A 92 15.908 -10.188 1.880 1.00 0.00 N ATOM 1446 CA GLU A 92 15.721 -11.245 0.894 1.00 0.00 C ATOM 1447 C GLU A 92 16.609 -11.036 -0.332 1.00 0.00 C ATOM 1448 O GLU A 92 17.548 -11.797 -0.564 1.00 0.00 O ATOM 1449 CB GLU A 92 14.253 -11.319 0.469 1.00 0.00 C ATOM 1450 CG GLU A 92 13.567 -12.615 0.872 1.00 0.00 C ATOM 1451 CD GLU A 92 13.459 -13.599 -0.276 1.00 0.00 C ATOM 1452 OE1 GLU A 92 12.497 -13.488 -1.065 1.00 0.00 O ATOM 1453 OE2 GLU A 92 14.337 -14.480 -0.388 1.00 0.00 O ATOM 0 H GLU A 92 15.167 -9.488 1.894 1.00 0.00 H new ATOM 0 HA GLU A 92 16.010 -12.186 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.713 -10.480 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.191 -11.206 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.121 -13.076 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.569 -12.391 1.249 1.00 0.00 H new ATOM 1460 N LYS A 93 16.297 -10.013 -1.126 1.00 0.00 N ATOM 1461 CA LYS A 93 17.064 -9.728 -2.336 1.00 0.00 C ATOM 1462 C LYS A 93 18.067 -8.598 -2.120 1.00 0.00 C ATOM 1463 O LYS A 93 19.098 -8.540 -2.791 1.00 0.00 O ATOM 1464 CB LYS A 93 16.122 -9.376 -3.490 1.00 0.00 C ATOM 1465 CG LYS A 93 16.432 -10.122 -4.778 1.00 0.00 C ATOM 1466 CD LYS A 93 16.447 -11.628 -4.564 1.00 0.00 C ATOM 1467 CE LYS A 93 17.868 -12.175 -4.528 1.00 0.00 C ATOM 1468 NZ LYS A 93 18.122 -12.980 -3.301 1.00 0.00 N ATOM 0 H LYS A 93 15.523 -9.371 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 93 17.625 -10.628 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.097 -9.595 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.177 -8.304 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.688 -9.869 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.400 -9.799 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.940 -11.868 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.889 -12.115 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.042 -12.792 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.577 -11.348 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.114 -12.867 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.498 -12.653 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.931 -13.983 -3.498 1.00 0.00 H new ATOM 1482 N LYS A 94 17.764 -7.703 -1.186 1.00 0.00 N ATOM 1483 CA LYS A 94 18.646 -6.575 -0.887 1.00 0.00 C ATOM 1484 C LYS A 94 18.722 -5.606 -2.062 1.00 0.00 C ATOM 1485 O LYS A 94 19.409 -5.864 -3.051 1.00 0.00 O ATOM 1486 CB LYS A 94 20.047 -7.075 -0.523 1.00 0.00 C ATOM 1487 CG LYS A 94 21.012 -5.961 -0.149 1.00 0.00 C ATOM 1488 CD LYS A 94 22.278 -6.514 0.486 1.00 0.00 C ATOM 1489 CE LYS A 94 22.021 -7.009 1.899 1.00 0.00 C ATOM 1490 NZ LYS A 94 21.772 -8.476 1.935 1.00 0.00 N ATOM 0 H LYS A 94 16.915 -7.735 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 94 18.228 -6.040 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.970 -7.773 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.456 -7.631 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.270 -5.387 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.526 -5.274 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.664 -7.332 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.045 -5.740 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.878 -6.770 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.162 -6.484 2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.888 -8.666 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.692 -8.839 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.562 -8.950 2.418 1.00 0.00 H new ATOM 1504 N GLU A 95 18.010 -4.489 -1.938 1.00 0.00 N ATOM 1505 CA GLU A 95 17.984 -3.463 -2.979 1.00 0.00 C ATOM 1506 C GLU A 95 17.077 -2.303 -2.560 1.00 0.00 C ATOM 1507 O GLU A 95 16.847 -2.090 -1.369 1.00 0.00 O ATOM 1508 CB GLU A 95 17.520 -4.067 -4.315 1.00 0.00 C ATOM 1509 CG GLU A 95 16.050 -4.466 -4.352 1.00 0.00 C ATOM 1510 CD GLU A 95 15.563 -5.073 -3.049 1.00 0.00 C ATOM 1511 OE1 GLU A 95 15.122 -4.308 -2.167 1.00 0.00 O ATOM 1512 OE2 GLU A 95 15.622 -6.313 -2.913 1.00 0.00 O ATOM 0 H GLU A 95 17.439 -4.270 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 95 18.994 -3.075 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.708 -3.345 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.127 -4.946 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.447 -3.588 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.894 -5.182 -5.159 1.00 0.00 H new ATOM 1519 N ASP A 96 16.569 -1.549 -3.533 1.00 0.00 N ATOM 1520 CA ASP A 96 15.698 -0.410 -3.242 1.00 0.00 C ATOM 1521 C ASP A 96 14.234 -0.833 -3.095 1.00 0.00 C ATOM 1522 O ASP A 96 13.342 0.013 -3.034 1.00 0.00 O ATOM 1523 CB ASP A 96 15.822 0.644 -4.345 1.00 0.00 C ATOM 1524 CG ASP A 96 15.752 2.058 -3.802 1.00 0.00 C ATOM 1525 OD1 ASP A 96 14.938 2.302 -2.887 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.510 2.921 -4.292 1.00 0.00 O ATOM 0 H ASP A 96 16.744 -1.704 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 96 16.021 0.013 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.766 0.506 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.026 0.498 -5.075 1.00 0.00 H new ATOM 1531 N THR A 97 13.991 -2.144 -3.035 1.00 0.00 N ATOM 1532 CA THR A 97 12.637 -2.683 -2.890 1.00 0.00 C ATOM 1533 C THR A 97 11.867 -2.668 -4.215 1.00 0.00 C ATOM 1534 O THR A 97 10.875 -3.382 -4.365 1.00 0.00 O ATOM 1535 CB THR A 97 11.854 -1.909 -1.825 1.00 0.00 C ATOM 1536 OG1 THR A 97 12.691 -1.574 -0.733 1.00 0.00 O ATOM 1537 CG2 THR A 97 10.668 -2.675 -1.276 1.00 0.00 C ATOM 0 H THR A 97 14.720 -2.856 -3.085 1.00 0.00 H new ATOM 0 HA THR A 97 12.742 -3.721 -2.575 1.00 0.00 H new ATOM 0 HB THR A 97 11.486 -1.016 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.723 -0.600 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.159 -2.069 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.977 -2.906 -2.087 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.014 -3.602 -0.819 1.00 0.00 H new ATOM 1545 N GLY A 98 12.320 -1.862 -5.174 1.00 0.00 N ATOM 1546 CA GLY A 98 11.645 -1.791 -6.457 1.00 0.00 C ATOM 1547 C GLY A 98 10.688 -0.621 -6.546 1.00 0.00 C ATOM 1548 O GLY A 98 10.437 -0.092 -7.629 1.00 0.00 O ATOM 0 H GLY A 98 13.139 -1.260 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.388 -1.709 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.097 -2.718 -6.627 1.00 0.00 H new ATOM 1552 N ILE A 99 10.150 -0.220 -5.401 1.00 0.00 N ATOM 1553 CA ILE A 99 9.206 0.896 -5.344 1.00 0.00 C ATOM 1554 C ILE A 99 9.876 2.214 -5.702 1.00 0.00 C ATOM 1555 O ILE A 99 11.006 2.482 -5.295 1.00 0.00 O ATOM 1556 CB ILE A 99 8.561 1.065 -3.948 1.00 0.00 C ATOM 1557 CG1 ILE A 99 9.516 0.638 -2.828 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.261 0.290 -3.860 1.00 0.00 C ATOM 1559 CD1 ILE A 99 10.884 1.283 -2.911 1.00 0.00 C ATOM 0 H ILE A 99 10.349 -0.649 -4.497 1.00 0.00 H new ATOM 0 HA ILE A 99 8.432 0.650 -6.071 1.00 0.00 H new ATOM 0 HB ILE A 99 8.346 2.125 -3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.066 0.885 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.633 -0.445 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.825 0.423 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.566 0.658 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.456 -0.769 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.503 0.932 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.355 1.016 -3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.780 2.366 -2.851 1.00 0.00 H new ATOM 1571 N LYS A 100 9.159 3.047 -6.441 1.00 0.00 N ATOM 1572 CA LYS A 100 9.682 4.353 -6.820 1.00 0.00 C ATOM 1573 C LYS A 100 9.644 5.286 -5.613 1.00 0.00 C ATOM 1574 O LYS A 100 10.613 5.990 -5.328 1.00 0.00 O ATOM 1575 CB LYS A 100 8.876 4.951 -7.974 1.00 0.00 C ATOM 1576 CG LYS A 100 9.577 6.108 -8.669 1.00 0.00 C ATOM 1577 CD LYS A 100 10.252 5.658 -9.955 1.00 0.00 C ATOM 1578 CE LYS A 100 10.445 6.819 -10.920 1.00 0.00 C ATOM 1579 NZ LYS A 100 9.153 7.293 -11.486 1.00 0.00 N ATOM 0 H LYS A 100 8.221 2.846 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 100 10.712 4.233 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.669 4.170 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.914 5.295 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.854 6.892 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.320 6.540 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.219 5.212 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.650 4.884 -10.431 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.938 7.642 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.105 6.511 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.332 7.826 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.546 6.476 -11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.677 7.909 -10.796 1.00 0.00 H new ATOM 1593 N ASN A 101 8.519 5.271 -4.899 1.00 0.00 N ATOM 1594 CA ASN A 101 8.355 6.104 -3.711 1.00 0.00 C ATOM 1595 C ASN A 101 7.350 5.487 -2.734 1.00 0.00 C ATOM 1596 O ASN A 101 6.205 5.215 -3.095 1.00 0.00 O ATOM 1597 CB ASN A 101 7.900 7.510 -4.110 1.00 0.00 C ATOM 1598 CG ASN A 101 8.742 8.595 -3.467 1.00 0.00 C ATOM 1599 OD1 ASN A 101 9.612 9.185 -4.108 1.00 0.00 O ATOM 1600 ND2 ASN A 101 8.486 8.864 -2.191 1.00 0.00 N ATOM 0 H ASN A 101 7.710 4.692 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 101 9.321 6.167 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.949 7.611 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.857 7.646 -3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.020 9.584 -1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.756 8.350 -1.698 1.00 0.00 H new ATOM 1607 N ILE A 102 7.789 5.280 -1.494 1.00 0.00 N ATOM 1608 CA ILE A 102 6.933 4.708 -0.457 1.00 0.00 C ATOM 1609 C ILE A 102 6.298 5.801 0.404 1.00 0.00 C ATOM 1610 O ILE A 102 6.978 6.718 0.863 1.00 0.00 O ATOM 1611 CB ILE A 102 7.717 3.748 0.460 1.00 0.00 C ATOM 1612 CG1 ILE A 102 8.618 2.824 -0.367 1.00 0.00 C ATOM 1613 CG2 ILE A 102 6.756 2.935 1.314 1.00 0.00 C ATOM 1614 CD1 ILE A 102 10.082 2.923 0.001 1.00 0.00 C ATOM 0 H ILE A 102 8.735 5.501 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 102 6.151 4.151 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 102 8.352 4.340 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.287 1.794 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.500 3.064 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.322 2.261 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.158 3.607 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.098 2.353 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.661 2.242 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.429 3.944 -0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.213 2.654 1.049 1.00 0.00 H new ATOM 1626 N MET A 103 4.989 5.695 0.612 1.00 0.00 N ATOM 1627 CA MET A 103 4.247 6.666 1.409 1.00 0.00 C ATOM 1628 C MET A 103 3.177 5.975 2.257 1.00 0.00 C ATOM 1629 O MET A 103 2.913 4.789 2.088 1.00 0.00 O ATOM 1630 CB MET A 103 3.596 7.707 0.497 1.00 0.00 C ATOM 1631 CG MET A 103 4.555 8.788 0.024 1.00 0.00 C ATOM 1632 SD MET A 103 4.416 9.117 -1.744 1.00 0.00 S ATOM 1633 CE MET A 103 5.767 10.269 -1.983 1.00 0.00 C ATOM 0 H MET A 103 4.416 4.939 0.236 1.00 0.00 H new ATOM 0 HA MET A 103 4.949 7.163 2.079 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.173 7.203 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.767 8.175 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.361 9.707 0.577 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.577 8.487 0.254 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.283 10.036 -2.914 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.375 11.285 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 103 6.466 10.188 -1.150 1.00 0.00 H new ATOM 1643 N ILE A 104 2.560 6.727 3.165 1.00 0.00 N ATOM 1644 CA ILE A 104 1.511 6.174 4.018 1.00 0.00 C ATOM 1645 C ILE A 104 0.272 7.075 3.992 1.00 0.00 C ATOM 1646 O ILE A 104 0.368 8.271 3.728 1.00 0.00 O ATOM 1647 CB ILE A 104 2.001 5.952 5.478 1.00 0.00 C ATOM 1648 CG1 ILE A 104 0.827 5.974 6.465 1.00 0.00 C ATOM 1649 CG2 ILE A 104 3.054 6.983 5.878 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.223 5.615 7.880 1.00 0.00 C ATOM 0 H ILE A 104 2.766 7.713 3.329 1.00 0.00 H new ATOM 0 HA ILE A 104 1.245 5.196 3.617 1.00 0.00 H new ATOM 0 HB ILE A 104 2.464 4.966 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.379 6.968 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.061 5.278 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.373 6.798 6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.912 6.904 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.629 7.984 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.344 5.651 8.524 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.644 4.610 7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.966 6.326 8.241 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.895 6.498 4.259 1.00 0.00 N ATOM 1663 CA LEU A 105 -2.136 7.268 4.256 1.00 0.00 C ATOM 1664 C LEU A 105 -2.765 7.296 5.645 1.00 0.00 C ATOM 1665 O LEU A 105 -2.772 6.294 6.360 1.00 0.00 O ATOM 1666 CB LEU A 105 -3.137 6.742 3.211 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.396 5.231 3.196 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -2.151 4.469 2.768 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.887 4.754 4.554 1.00 0.00 C ATOM 0 H LEU A 105 -1.009 5.508 4.479 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.880 8.290 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.090 7.248 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.781 7.035 2.223 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.178 5.030 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.362 3.400 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.859 4.783 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.339 4.677 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.064 3.679 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.134 4.974 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.815 5.267 4.806 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.272 8.460 6.028 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.892 8.629 7.339 1.00 0.00 C ATOM 1683 C GLU A 106 -5.410 8.490 7.250 1.00 0.00 C ATOM 1684 O GLU A 106 -6.076 8.217 8.250 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.521 9.988 7.955 1.00 0.00 C ATOM 1686 CG GLU A 106 -2.765 10.920 7.018 1.00 0.00 C ATOM 1687 CD GLU A 106 -3.678 11.603 6.019 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -3.916 11.022 4.939 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -4.155 12.718 6.315 1.00 0.00 O ATOM 0 H GLU A 106 -3.267 9.302 5.452 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.510 7.840 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.434 10.485 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.914 9.816 8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.244 11.676 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.004 10.353 6.482 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.956 8.674 6.050 1.00 0.00 N ATOM 1697 CA ARG A 107 -7.395 8.564 5.843 1.00 0.00 C ATOM 1698 C ARG A 107 -7.710 7.579 4.718 1.00 0.00 C ATOM 1699 O ARG A 107 -8.596 7.820 3.898 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.994 9.936 5.524 1.00 0.00 C ATOM 1701 CG ARG A 107 -9.269 10.235 6.299 1.00 0.00 C ATOM 1702 CD ARG A 107 -9.123 11.481 7.160 1.00 0.00 C ATOM 1703 NE ARG A 107 -7.874 11.481 7.919 1.00 0.00 N ATOM 1704 CZ ARG A 107 -7.529 12.438 8.778 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -8.336 13.470 8.993 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -6.374 12.362 9.426 1.00 0.00 N ATOM 0 H ARG A 107 -5.424 8.899 5.209 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.842 8.189 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.255 10.707 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.205 9.992 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.096 10.369 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.519 9.383 6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.161 12.366 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.965 11.546 7.849 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.229 10.703 7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.226 13.533 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.066 14.200 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.751 11.571 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.109 13.095 10.084 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.975 6.469 4.687 1.00 0.00 N ATOM 1721 CA GLY A 108 -7.188 5.464 3.661 1.00 0.00 C ATOM 1722 C GLY A 108 -8.645 5.052 3.535 1.00 0.00 C ATOM 1723 O GLY A 108 -9.400 5.648 2.766 1.00 0.00 O ATOM 0 H GLY A 108 -6.236 6.249 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.840 5.850 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.585 4.585 3.889 1.00 0.00 H new ATOM 1727 N PHE A 109 -9.041 4.031 4.290 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.416 3.542 4.259 1.00 0.00 C ATOM 1729 C PHE A 109 -10.884 3.122 5.652 1.00 0.00 C ATOM 1730 O PHE A 109 -11.846 2.367 5.789 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.537 2.363 3.289 1.00 0.00 C ATOM 1732 CG PHE A 109 -11.450 2.634 2.127 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -11.134 3.609 1.194 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -12.623 1.915 1.968 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -11.971 3.862 0.124 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -13.464 2.163 0.898 1.00 0.00 C ATOM 1737 CZ PHE A 109 -13.137 3.138 -0.024 1.00 0.00 C ATOM 0 H PHE A 109 -8.429 3.526 4.931 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.055 4.356 3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.546 2.111 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -10.902 1.492 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.223 4.178 1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -12.884 1.153 2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.713 4.625 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -14.375 1.595 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 109 -13.793 3.334 -0.860 1.00 0.00 H new ATOM 1747 N ASN A 110 -10.198 3.612 6.680 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.550 3.282 8.056 1.00 0.00 C ATOM 1749 C ASN A 110 -11.964 3.738 8.377 1.00 0.00 C ATOM 1750 O ASN A 110 -12.757 2.986 8.936 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.566 3.928 9.032 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.288 5.380 8.697 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -8.750 5.692 7.634 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -9.655 6.278 9.603 1.00 0.00 N ATOM 0 H ASN A 110 -9.397 4.237 6.586 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.498 2.199 8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.966 3.862 10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.630 3.370 9.022 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.494 7.271 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.098 5.976 10.471 1.00 0.00 H new ATOM 1761 N GLY A 111 -12.272 4.974 8.018 1.00 0.00 N ATOM 1762 CA GLY A 111 -13.587 5.509 8.269 1.00 0.00 C ATOM 1763 C GLY A 111 -14.655 4.807 7.460 1.00 0.00 C ATOM 1764 O GLY A 111 -15.773 4.639 7.929 1.00 0.00 O ATOM 0 H GLY A 111 -11.629 5.617 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.818 5.416 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.595 6.573 8.033 1.00 0.00 H new ATOM 1768 N TRP A 112 -14.314 4.398 6.238 1.00 0.00 N ATOM 1769 CA TRP A 112 -15.276 3.716 5.376 1.00 0.00 C ATOM 1770 C TRP A 112 -15.658 2.355 5.945 1.00 0.00 C ATOM 1771 O TRP A 112 -16.839 2.056 6.118 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.694 3.550 3.969 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.642 2.894 3.012 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.293 1.712 3.195 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -16.047 3.378 1.726 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -17.082 1.433 2.115 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -16.949 2.437 1.194 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -15.739 4.514 0.971 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -17.545 2.596 -0.054 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -16.330 4.671 -0.269 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -17.225 3.716 -0.770 1.00 0.00 C ATOM 0 H TRP A 112 -13.389 4.526 5.827 1.00 0.00 H new ATOM 0 HA TRP A 112 -16.177 4.327 5.325 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.415 4.529 3.580 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.780 2.959 4.028 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.199 1.085 4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.675 0.609 2.012 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -15.051 5.256 1.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -18.235 1.861 -0.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -16.098 5.544 -0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -17.671 3.868 -1.742 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.657 1.535 6.242 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.902 0.209 6.800 1.00 0.00 C ATOM 1794 C GLU A 113 -15.458 0.300 8.220 1.00 0.00 C ATOM 1795 O GLU A 113 -16.448 -0.347 8.563 1.00 0.00 O ATOM 1796 CB GLU A 113 -13.608 -0.611 6.811 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.825 -2.122 6.866 1.00 0.00 C ATOM 1798 CD GLU A 113 -15.011 -2.530 7.721 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -14.837 -2.665 8.951 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -16.112 -2.714 7.162 1.00 0.00 O ATOM 0 H GLU A 113 -13.672 1.763 6.107 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.641 -0.284 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.031 -0.370 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.008 -0.310 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.970 -2.498 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.925 -2.597 7.256 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.767 1.077 9.046 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.118 1.242 10.454 1.00 0.00 C ATOM 1809 C ALA A 114 -16.445 1.956 10.687 1.00 0.00 C ATOM 1810 O ALA A 114 -17.275 1.477 11.461 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.014 2.007 11.157 1.00 0.00 C ATOM 0 H ALA A 114 -13.947 1.611 8.759 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.233 0.237 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.271 2.133 12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.079 1.453 11.076 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.897 2.986 10.692 1.00 0.00 H new ATOM 1817 N SER A 115 -16.648 3.109 10.054 1.00 0.00 N ATOM 1818 CA SER A 115 -17.892 3.849 10.268 1.00 0.00 C ATOM 1819 C SER A 115 -18.221 4.788 9.117 1.00 0.00 C ATOM 1820 O SER A 115 -18.618 5.934 9.330 1.00 0.00 O ATOM 1821 CB SER A 115 -17.810 4.644 11.573 1.00 0.00 C ATOM 1822 OG SER A 115 -16.909 4.037 12.485 1.00 0.00 O ATOM 0 H SER A 115 -15.990 3.543 9.407 1.00 0.00 H new ATOM 0 HA SER A 115 -18.694 3.113 10.326 1.00 0.00 H new ATOM 0 HB2 SER A 115 -17.487 5.663 11.362 1.00 0.00 H new ATOM 0 HB3 SER A 115 -18.800 4.711 12.025 1.00 0.00 H new ATOM 0 HG SER A 115 -16.873 4.565 13.310 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.068 4.296 7.901 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.369 5.109 6.738 1.00 0.00 C ATOM 1830 C GLY A 116 -19.438 4.480 5.872 1.00 0.00 C ATOM 1831 O GLY A 116 -20.354 5.159 5.407 1.00 0.00 O ATOM 0 H GLY A 116 -17.742 3.352 7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.698 6.097 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.462 5.251 6.150 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.318 3.175 5.660 1.00 0.00 N ATOM 1836 CA LYS A 117 -20.272 2.427 4.848 1.00 0.00 C ATOM 1837 C LYS A 117 -19.709 1.055 4.500 1.00 0.00 C ATOM 1838 O LYS A 117 -18.496 0.858 4.494 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.617 3.183 3.559 1.00 0.00 C ATOM 1840 CG LYS A 117 -19.425 3.869 2.907 1.00 0.00 C ATOM 1841 CD LYS A 117 -19.765 5.288 2.482 1.00 0.00 C ATOM 1842 CE LYS A 117 -18.514 6.110 2.220 1.00 0.00 C ATOM 1843 NZ LYS A 117 -17.738 6.357 3.467 1.00 0.00 N ATOM 0 H LYS A 117 -18.562 2.608 6.043 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.184 2.307 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -21.056 2.485 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.377 3.932 3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.588 3.887 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -19.103 3.295 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.378 5.261 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.360 5.768 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.884 5.591 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.794 7.064 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.120 7.182 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.394 6.539 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.158 5.522 3.686 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.584 0.085 4.204 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.159 -1.269 3.851 1.00 0.00 C ATOM 1859 C PRO A 118 -19.220 -1.277 2.649 1.00 0.00 C ATOM 1860 O PRO A 118 -19.493 -0.640 1.632 1.00 0.00 O ATOM 1861 CB PRO A 118 -21.469 -1.996 3.518 1.00 0.00 C ATOM 1862 CG PRO A 118 -22.487 -0.921 3.327 1.00 0.00 C ATOM 1863 CD PRO A 118 -22.046 0.228 4.186 1.00 0.00 C ATOM 0 HA PRO A 118 -19.600 -1.742 4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -21.364 -2.601 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -21.758 -2.671 4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.548 -0.624 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.479 -1.267 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -22.353 1.186 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.470 0.168 5.188 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.115 -2.005 2.772 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.137 -2.103 1.696 1.00 0.00 C ATOM 1873 C VAL A 119 -17.466 -3.301 0.807 1.00 0.00 C ATOM 1874 O VAL A 119 -17.982 -4.301 1.299 1.00 0.00 O ATOM 1875 CB VAL A 119 -15.705 -2.239 2.260 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -15.417 -1.126 3.253 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -15.501 -3.599 2.910 1.00 0.00 C ATOM 0 H VAL A 119 -17.875 -2.537 3.609 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.183 -1.189 1.104 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.005 -2.154 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -14.404 -1.237 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.511 -0.161 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.129 -1.180 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.485 -3.668 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.211 -3.722 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.661 -4.383 2.170 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.180 -3.192 -0.497 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.470 -4.269 -1.451 1.00 0.00 C ATOM 1889 C CYS A 120 -18.800 -4.971 -1.147 1.00 0.00 C ATOM 1890 O CYS A 120 -19.808 -4.702 -1.798 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.335 -5.287 -1.470 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.490 -6.537 -2.769 1.00 0.00 S ATOM 0 H CYS A 120 -16.748 -2.368 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 120 -17.558 -3.808 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.390 -4.760 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.292 -5.787 -0.502 1.00 0.00 H new ATOM 1897 N ARG A 121 -18.782 -5.879 -0.163 1.00 0.00 N ATOM 1898 CA ARG A 121 -19.971 -6.646 0.239 1.00 0.00 C ATOM 1899 C ARG A 121 -20.105 -7.920 -0.600 1.00 0.00 C ATOM 1900 O ARG A 121 -20.903 -8.804 -0.289 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.246 -5.786 0.148 1.00 0.00 C ATOM 1902 CG ARG A 121 -22.060 -5.994 -1.124 1.00 0.00 C ATOM 1903 CD ARG A 121 -22.829 -4.738 -1.504 1.00 0.00 C ATOM 1904 NE ARG A 121 -24.202 -4.764 -1.002 1.00 0.00 N ATOM 1905 CZ ARG A 121 -24.966 -3.681 -0.881 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -24.499 -2.487 -1.224 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -26.203 -3.792 -0.415 1.00 0.00 N ATOM 0 H ARG A 121 -17.946 -6.103 0.376 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.845 -6.939 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.878 -6.004 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.966 -4.735 0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.395 -6.276 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.757 -6.820 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.314 -3.863 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.841 -4.635 -2.589 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.597 -5.664 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.549 -2.395 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.090 -1.661 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.568 -4.707 -0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.789 -2.963 -0.322 1.00 0.00 H new ATOM 1921 N CYS A 122 -19.311 -7.996 -1.662 1.00 0.00 N ATOM 1922 CA CYS A 122 -19.303 -9.135 -2.570 1.00 0.00 C ATOM 1923 C CYS A 122 -20.703 -9.541 -3.010 1.00 0.00 C ATOM 1924 O CYS A 122 -21.704 -8.949 -2.607 1.00 0.00 O ATOM 1925 CB CYS A 122 -18.587 -10.337 -1.958 1.00 0.00 C ATOM 1926 SG CYS A 122 -16.962 -9.955 -1.256 1.00 0.00 S ATOM 0 H CYS A 122 -18.650 -7.263 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 122 -18.755 -8.808 -3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.217 -10.762 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -18.468 -11.104 -2.724 1.00 0.00 H new ATOM 1931 N ALA A 123 -20.723 -10.545 -3.877 1.00 0.00 N ATOM 1932 CA ALA A 123 -21.923 -11.097 -4.483 1.00 0.00 C ATOM 1933 C ALA A 123 -21.538 -11.468 -5.896 1.00 0.00 C ATOM 1934 O ALA A 123 -22.256 -11.195 -6.858 1.00 0.00 O ATOM 1935 CB ALA A 123 -23.064 -10.093 -4.485 1.00 0.00 C ATOM 0 H ALA A 123 -19.872 -11.013 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 123 -22.281 -11.959 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -23.943 -10.543 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -23.298 -9.806 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -22.770 -9.209 -5.051 1.00 0.00 H new ATOM 1941 N GLU A 124 -20.343 -12.048 -5.998 1.00 0.00 N ATOM 1942 CA GLU A 124 -19.759 -12.421 -7.258 1.00 0.00 C ATOM 1943 C GLU A 124 -19.610 -11.201 -8.145 1.00 0.00 C ATOM 1944 O GLU A 124 -20.306 -10.200 -7.972 1.00 0.00 O ATOM 1945 CB GLU A 124 -20.557 -13.498 -7.954 1.00 0.00 C ATOM 1946 CG GLU A 124 -21.701 -14.081 -7.135 1.00 0.00 C ATOM 1947 CD GLU A 124 -22.088 -15.476 -7.582 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -21.424 -16.443 -7.151 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -23.056 -15.604 -8.361 1.00 0.00 O ATOM 0 H GLU A 124 -19.758 -12.269 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 124 -18.771 -12.836 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -20.964 -13.088 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -19.882 -14.306 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -21.413 -14.107 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -22.568 -13.425 -7.212 1.00 0.00 H new ATOM 1956 N VAL A 125 -18.650 -11.276 -9.060 1.00 0.00 N ATOM 1957 CA VAL A 125 -18.339 -10.158 -9.946 1.00 0.00 C ATOM 1958 C VAL A 125 -18.393 -8.832 -9.174 1.00 0.00 C ATOM 1959 O VAL A 125 -18.929 -7.841 -9.670 1.00 0.00 O ATOM 1960 CB VAL A 125 -19.313 -10.093 -11.139 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -19.189 -11.339 -12.002 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -20.744 -9.913 -10.656 1.00 0.00 C ATOM 0 H VAL A 125 -18.071 -12.102 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 125 -17.332 -10.318 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 125 -19.049 -9.229 -11.748 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -19.885 -11.273 -12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -18.171 -11.418 -12.383 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -19.422 -12.220 -11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -21.415 -9.870 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -21.022 -10.754 -10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -20.822 -8.987 -10.087 1.00 0.00 H new ATOM 1972 N PRO A 126 -17.881 -8.810 -7.917 1.00 0.00 N ATOM 1973 CA PRO A 126 -17.910 -7.649 -7.051 1.00 0.00 C ATOM 1974 C PRO A 126 -16.538 -7.010 -6.849 1.00 0.00 C ATOM 1975 O PRO A 126 -16.274 -5.912 -7.339 1.00 0.00 O ATOM 1976 CB PRO A 126 -18.383 -8.292 -5.744 1.00 0.00 C ATOM 1977 CG PRO A 126 -17.911 -9.728 -5.813 1.00 0.00 C ATOM 1978 CD PRO A 126 -17.272 -9.911 -7.175 1.00 0.00 C ATOM 0 HA PRO A 126 -18.525 -6.839 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -17.962 -7.780 -4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -19.468 -8.238 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -17.195 -9.939 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -18.746 -10.417 -5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.186 -9.831 -7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -17.504 -10.882 -7.613 1.00 0.00 H new ATOM 1986 N CYS A 127 -15.668 -7.709 -6.112 1.00 0.00 N ATOM 1987 CA CYS A 127 -14.317 -7.217 -5.828 1.00 0.00 C ATOM 1988 C CYS A 127 -13.683 -6.649 -7.095 1.00 0.00 C ATOM 1989 O CYS A 127 -13.931 -7.152 -8.191 1.00 0.00 O ATOM 1990 CB CYS A 127 -13.452 -8.342 -5.249 1.00 0.00 C ATOM 1991 SG CYS A 127 -14.284 -9.357 -4.000 1.00 0.00 S ATOM 0 H CYS A 127 -15.877 -8.619 -5.701 1.00 0.00 H new ATOM 0 HA CYS A 127 -14.383 -6.419 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -13.123 -8.987 -6.064 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -12.557 -7.905 -4.807 1.00 0.00 H new ATOM 1996 N LYS A 128 -12.889 -5.583 -6.960 1.00 0.00 N ATOM 1997 CA LYS A 128 -12.281 -4.969 -8.136 1.00 0.00 C ATOM 1998 C LYS A 128 -10.855 -4.487 -7.935 1.00 0.00 C ATOM 1999 O LYS A 128 -10.167 -4.251 -8.931 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.106 -3.747 -8.600 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.507 -4.096 -9.070 1.00 0.00 C ATOM 2002 CD LYS A 128 -14.915 -3.268 -10.280 1.00 0.00 C ATOM 2003 CE LYS A 128 -15.370 -4.149 -11.433 1.00 0.00 C ATOM 2004 NZ LYS A 128 -14.346 -4.224 -12.512 1.00 0.00 N ATOM 0 H LYS A 128 -12.658 -5.139 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 128 -12.268 -5.768 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.176 -3.034 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -12.575 -3.248 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.554 -5.156 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -15.216 -3.929 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.720 -2.588 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -14.074 -2.653 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.581 -5.152 -11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -16.301 -3.758 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -14.694 -4.834 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -14.163 -3.270 -12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -13.465 -4.621 -12.127 1.00 0.00 H new ATOM 2018 N GLY A 129 -10.416 -4.208 -6.696 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.107 -3.607 -6.574 1.00 0.00 C ATOM 2020 C GLY A 129 -9.170 -2.367 -7.445 1.00 0.00 C ATOM 2021 O GLY A 129 -8.197 -1.940 -8.067 1.00 0.00 O ATOM 0 H GLY A 129 -10.920 -4.380 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -8.883 -3.352 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.326 -4.288 -6.911 1.00 0.00 H new ATOM 2025 N ASP A 130 -10.410 -1.861 -7.510 1.00 0.00 N ATOM 2026 CA ASP A 130 -10.801 -0.725 -8.327 1.00 0.00 C ATOM 2027 C ASP A 130 -11.821 0.156 -7.605 1.00 0.00 C ATOM 2028 O ASP A 130 -12.671 -0.315 -6.830 1.00 0.00 O ATOM 2029 CB ASP A 130 -11.378 -1.200 -9.661 1.00 0.00 C ATOM 2030 CG ASP A 130 -11.062 -0.250 -10.798 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -9.953 0.327 -10.799 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -11.922 -0.080 -11.687 1.00 0.00 O ATOM 0 H ASP A 130 -11.186 -2.250 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.907 -0.130 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.980 -2.187 -9.895 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.459 -1.306 -9.569 1.00 0.00 H new ATOM 2037 N CYS A 131 -11.709 1.433 -7.852 1.00 0.00 N ATOM 2038 CA CYS A 131 -12.588 2.427 -7.246 1.00 0.00 C ATOM 2039 C CYS A 131 -13.964 2.409 -7.907 1.00 0.00 C ATOM 2040 O CYS A 131 -14.976 2.686 -7.263 1.00 0.00 O ATOM 2041 CB CYS A 131 -11.971 3.821 -7.360 1.00 0.00 C ATOM 2042 SG CYS A 131 -12.970 5.135 -6.620 1.00 0.00 S ATOM 0 H CYS A 131 -11.007 1.826 -8.479 1.00 0.00 H new ATOM 0 HA CYS A 131 -12.708 2.177 -6.192 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -10.991 3.813 -6.883 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -11.811 4.051 -8.413 1.00 0.00 H new ATOM 0 HG CYS A 131 -14.206 4.741 -6.528 1.00 0.00 H new ATOM 2048 N ALA A 132 -13.991 2.082 -9.195 1.00 0.00 N ATOM 2049 CA ALA A 132 -15.240 2.027 -9.945 1.00 0.00 C ATOM 2050 C ALA A 132 -15.899 3.401 -10.014 1.00 0.00 C ATOM 2051 O ALA A 132 -15.466 4.301 -9.265 1.00 0.00 O ATOM 2052 CB ALA A 132 -16.189 1.014 -9.321 1.00 0.00 C ATOM 2053 OXT ALA A 132 -16.840 3.565 -10.819 1.00 0.00 O ATOM 0 H ALA A 132 -13.161 1.851 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 132 -15.010 1.711 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -17.117 0.985 -9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -15.726 0.027 -9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -16.405 1.303 -8.293 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -15.668 -8.600 -2.486 1.00 0.00 ZN