USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 114 THR OG1 : rot 120:sc= 0.224 USER MOD Set 1.2: A 118 LYS NZ :NH3+ -178:sc= 0.265 (180deg=-0.0158) USER MOD Set 2.1: A 22 SER OG : rot -75:sc= 0.241 USER MOD Set 2.2: A 28 GLN : amide:sc= -1.56! K(o=-1.3!,f=1.6) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 1.91 (180deg=1.58) USER MOD Single : A 25 TYR OH : rot 42:sc= 1.2 USER MOD Single : A 30 TYR OH : rot -113:sc= 0.793 USER MOD Single : A 33 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot -166:sc= 0.0722 USER MOD Single : A 43 TYR OH : rot 67:sc= 1.25 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -56:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= -0.0787 K(o=-0.079,f=-0.68) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 54:sc= 0.748 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.47) USER MOD Single : A 80 ASN : amide:sc= -0.731 K(o=-0.73,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -88:sc= 0.856 USER MOD Single : A 86 THR OG1 : rot 100:sc= 1.57 USER MOD Single : A 90 HIS : no HE2:sc= -0.425 X(o=-0.43,f=-0.43) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.908) USER MOD Single : A 100 SER OG : rot -28:sc= 0.44 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 135:sc= 1.23 USER MOD Single : A 107 SER OG : rot -5:sc= -3.2! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.4 K(o=0.4,f=-0.27) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -1.41! C(o=-1.4!,f=-2.5!) USER MOD Single : A 124 GLN : amide:sc= -0.703 K(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 3.154 16.075 2.248 1.00 0.00 N ATOM 2 CA GLY A 19 4.129 15.027 2.548 1.00 0.00 C ATOM 3 C GLY A 19 4.377 14.891 4.037 1.00 0.00 C ATOM 4 O GLY A 19 4.486 13.788 4.541 1.00 0.00 O ATOM 0 HA2 GLY A 19 3.773 14.076 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.069 15.251 2.043 1.00 0.00 H new ATOM 10 N ALA A 20 4.440 16.014 4.752 1.00 0.00 N ATOM 11 CA ALA A 20 4.649 16.015 6.205 1.00 0.00 C ATOM 12 C ALA A 20 3.432 15.459 6.927 1.00 0.00 C ATOM 13 O ALA A 20 3.520 14.954 8.041 1.00 0.00 O ATOM 14 CB ALA A 20 4.948 17.414 6.689 1.00 0.00 C ATOM 0 H ALA A 20 4.349 16.945 4.346 1.00 0.00 H new ATOM 0 HA ALA A 20 5.502 15.374 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.101 17.401 7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.849 17.784 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.110 18.069 6.449 1.00 0.00 H new ATOM 20 N ASP A 21 2.311 15.518 6.250 1.00 0.00 N ATOM 21 CA ASP A 21 1.033 15.007 6.736 1.00 0.00 C ATOM 22 C ASP A 21 1.012 13.488 6.607 1.00 0.00 C ATOM 23 O ASP A 21 0.155 12.804 7.166 1.00 0.00 O ATOM 24 CB ASP A 21 -0.081 15.573 5.863 1.00 0.00 C ATOM 25 CG ASP A 21 0.069 15.132 4.415 1.00 0.00 C ATOM 26 OD1 ASP A 21 -0.650 14.218 3.978 1.00 0.00 O ATOM 27 OD2 ASP A 21 0.947 15.677 3.704 1.00 0.00 O ATOM 0 H ASP A 21 2.251 15.932 5.320 1.00 0.00 H new ATOM 0 HA ASP A 21 0.895 15.296 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.047 15.245 6.246 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.069 16.662 5.916 1.00 0.00 H new ATOM 32 N SER A 22 1.960 12.986 5.886 1.00 0.00 N ATOM 33 CA SER A 22 2.109 11.601 5.631 1.00 0.00 C ATOM 34 C SER A 22 3.346 11.109 6.363 1.00 0.00 C ATOM 35 O SER A 22 4.297 11.874 6.584 1.00 0.00 O ATOM 36 CB SER A 22 2.252 11.377 4.130 1.00 0.00 C ATOM 37 OG SER A 22 1.131 11.905 3.422 1.00 0.00 O ATOM 0 H SER A 22 2.679 13.558 5.443 1.00 0.00 H new ATOM 0 HA SER A 22 1.237 11.050 5.982 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.167 11.851 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.345 10.310 3.926 1.00 0.00 H new ATOM 0 HG SER A 22 0.361 11.311 3.539 1.00 0.00 H new ATOM 43 N CYS A 23 3.330 9.895 6.796 1.00 0.00 N ATOM 44 CA CYS A 23 4.482 9.358 7.444 1.00 0.00 C ATOM 45 C CYS A 23 5.218 8.467 6.486 1.00 0.00 C ATOM 46 O CYS A 23 4.613 7.839 5.594 1.00 0.00 O ATOM 47 CB CYS A 23 4.109 8.619 8.725 1.00 0.00 C ATOM 48 SG CYS A 23 2.767 7.402 8.528 1.00 0.00 S ATOM 0 H CYS A 23 2.538 9.257 6.715 1.00 0.00 H new ATOM 0 HA CYS A 23 5.138 10.177 7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.993 8.108 9.106 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.813 9.349 9.478 1.00 0.00 H new ATOM 53 N LYS A 24 6.502 8.454 6.626 1.00 0.00 N ATOM 54 CA LYS A 24 7.376 7.710 5.771 1.00 0.00 C ATOM 55 C LYS A 24 7.183 6.221 6.022 1.00 0.00 C ATOM 56 O LYS A 24 7.233 5.783 7.178 1.00 0.00 O ATOM 57 CB LYS A 24 8.823 8.106 6.088 1.00 0.00 C ATOM 58 CG LYS A 24 9.096 9.608 6.034 1.00 0.00 C ATOM 59 CD LYS A 24 9.062 10.170 4.627 1.00 0.00 C ATOM 60 CE LYS A 24 10.239 9.695 3.821 1.00 0.00 C ATOM 61 NZ LYS A 24 10.368 10.410 2.541 1.00 0.00 N ATOM 0 H LYS A 24 6.989 8.973 7.357 1.00 0.00 H new ATOM 0 HA LYS A 24 7.154 7.926 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.077 7.739 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.486 7.604 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.357 10.127 6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.072 9.810 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.137 9.870 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.062 11.259 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.151 9.829 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.137 8.627 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.280 10.172 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.593 10.129 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.322 11.435 2.710 1.00 0.00 H new ATOM 75 N TYR A 25 6.946 5.460 4.941 1.00 0.00 N ATOM 76 CA TYR A 25 6.809 3.984 4.992 1.00 0.00 C ATOM 77 C TYR A 25 5.477 3.561 5.598 1.00 0.00 C ATOM 78 O TYR A 25 5.383 2.559 6.304 1.00 0.00 O ATOM 79 CB TYR A 25 8.005 3.316 5.731 1.00 0.00 C ATOM 80 CG TYR A 25 9.342 3.442 5.017 1.00 0.00 C ATOM 81 CD1 TYR A 25 10.086 2.321 4.701 1.00 0.00 C ATOM 82 CD2 TYR A 25 9.845 4.680 4.647 1.00 0.00 C ATOM 83 CE1 TYR A 25 11.294 2.433 4.052 1.00 0.00 C ATOM 84 CE2 TYR A 25 11.036 4.807 3.998 1.00 0.00 C ATOM 85 CZ TYR A 25 11.768 3.686 3.701 1.00 0.00 C ATOM 86 OH TYR A 25 12.977 3.822 3.075 1.00 0.00 O ATOM 0 H TYR A 25 6.843 5.846 4.002 1.00 0.00 H new ATOM 0 HA TYR A 25 6.826 3.630 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.095 3.759 6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.782 2.258 5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.714 1.343 4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.277 5.568 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.869 1.549 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.401 5.784 3.719 1.00 0.00 H new ATOM 0 HH TYR A 25 13.072 3.125 2.393 1.00 0.00 H new ATOM 96 N CYS A 26 4.448 4.287 5.260 1.00 0.00 N ATOM 97 CA CYS A 26 3.121 3.989 5.736 1.00 0.00 C ATOM 98 C CYS A 26 2.216 3.816 4.538 1.00 0.00 C ATOM 99 O CYS A 26 2.510 4.338 3.466 1.00 0.00 O ATOM 100 CB CYS A 26 2.594 5.149 6.569 1.00 0.00 C ATOM 101 SG CYS A 26 3.693 5.712 7.900 1.00 0.00 S ATOM 0 H CYS A 26 4.503 5.101 4.648 1.00 0.00 H new ATOM 0 HA CYS A 26 3.146 3.085 6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.394 5.990 5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.640 4.856 7.008 1.00 0.00 H new ATOM 106 N LEU A 27 1.162 3.077 4.701 1.00 0.00 N ATOM 107 CA LEU A 27 0.189 2.899 3.663 1.00 0.00 C ATOM 108 C LEU A 27 -1.030 3.720 4.011 1.00 0.00 C ATOM 109 O LEU A 27 -1.595 3.560 5.094 1.00 0.00 O ATOM 110 CB LEU A 27 -0.176 1.421 3.525 1.00 0.00 C ATOM 111 CG LEU A 27 -1.140 1.038 2.411 1.00 0.00 C ATOM 112 CD1 LEU A 27 -0.635 1.470 1.056 1.00 0.00 C ATOM 113 CD2 LEU A 27 -1.354 -0.430 2.425 1.00 0.00 C ATOM 0 H LEU A 27 0.950 2.576 5.564 1.00 0.00 H new ATOM 0 HA LEU A 27 0.595 3.230 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.746 0.859 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.606 1.091 4.471 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.083 1.555 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.353 1.177 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.511 2.553 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.324 0.992 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.044 -0.705 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.402 -0.938 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.773 -0.727 3.386 1.00 0.00 H new ATOM 125 N GLN A 28 -1.407 4.625 3.142 1.00 0.00 N ATOM 126 CA GLN A 28 -2.556 5.455 3.399 1.00 0.00 C ATOM 127 C GLN A 28 -3.646 5.098 2.440 1.00 0.00 C ATOM 128 O GLN A 28 -3.449 5.120 1.206 1.00 0.00 O ATOM 129 CB GLN A 28 -2.182 6.911 3.209 1.00 0.00 C ATOM 130 CG GLN A 28 -1.147 7.404 4.190 1.00 0.00 C ATOM 131 CD GLN A 28 -0.543 8.727 3.764 1.00 0.00 C ATOM 132 OE1 GLN A 28 -1.021 9.789 4.107 1.00 0.00 O ATOM 133 NE2 GLN A 28 0.505 8.671 2.990 1.00 0.00 N ATOM 0 H GLN A 28 -0.937 4.805 2.255 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.897 5.297 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.805 7.051 2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.079 7.523 3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.604 7.514 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.357 6.660 4.287 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.888 7.767 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.941 9.532 2.659 1.00 0.00 H new ATOM 142 N LEU A 29 -4.774 4.761 2.972 1.00 0.00 N ATOM 143 CA LEU A 29 -5.897 4.444 2.162 1.00 0.00 C ATOM 144 C LEU A 29 -6.946 5.518 2.286 1.00 0.00 C ATOM 145 O LEU A 29 -7.386 5.824 3.397 1.00 0.00 O ATOM 146 CB LEU A 29 -6.444 3.054 2.473 1.00 0.00 C ATOM 147 CG LEU A 29 -5.421 1.908 2.352 1.00 0.00 C ATOM 148 CD1 LEU A 29 -4.826 1.522 3.691 1.00 0.00 C ATOM 149 CD2 LEU A 29 -6.009 0.715 1.673 1.00 0.00 C ATOM 0 H LEU A 29 -4.940 4.698 3.976 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.576 4.413 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.845 3.057 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.277 2.849 1.801 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.609 2.287 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.112 0.711 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.317 2.383 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.621 1.194 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.258 -0.072 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.863 0.354 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.336 0.991 0.670 1.00 0.00 H new ATOM 161 N TYR A 30 -7.335 6.088 1.177 1.00 0.00 N ATOM 162 CA TYR A 30 -8.314 7.160 1.152 1.00 0.00 C ATOM 163 C TYR A 30 -9.693 6.583 1.047 1.00 0.00 C ATOM 164 O TYR A 30 -9.880 5.528 0.436 1.00 0.00 O ATOM 165 CB TYR A 30 -8.096 8.078 -0.038 1.00 0.00 C ATOM 166 CG TYR A 30 -6.792 8.828 -0.048 1.00 0.00 C ATOM 167 CD1 TYR A 30 -6.657 10.045 0.610 1.00 0.00 C ATOM 168 CD2 TYR A 30 -5.700 8.334 -0.739 1.00 0.00 C ATOM 169 CE1 TYR A 30 -5.469 10.745 0.573 1.00 0.00 C ATOM 170 CE2 TYR A 30 -4.512 9.021 -0.774 1.00 0.00 C ATOM 171 CZ TYR A 30 -4.399 10.225 -0.121 1.00 0.00 C ATOM 172 OH TYR A 30 -3.213 10.923 -0.183 1.00 0.00 O ATOM 0 H TYR A 30 -6.984 5.825 0.256 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.201 7.732 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.160 7.484 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.911 8.801 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.495 10.449 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.784 7.392 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.379 11.692 1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.668 8.616 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.052 11.213 -1.105 1.00 0.00 H new ATOM 182 N ASP A 31 -10.653 7.263 1.612 1.00 0.00 N ATOM 183 CA ASP A 31 -12.027 6.786 1.586 1.00 0.00 C ATOM 184 C ASP A 31 -12.639 6.964 0.212 1.00 0.00 C ATOM 185 O ASP A 31 -13.341 6.086 -0.287 1.00 0.00 O ATOM 186 CB ASP A 31 -12.891 7.491 2.634 1.00 0.00 C ATOM 187 CG ASP A 31 -14.330 6.983 2.652 1.00 0.00 C ATOM 188 OD1 ASP A 31 -14.676 6.137 3.516 1.00 0.00 O ATOM 189 OD2 ASP A 31 -15.150 7.433 1.841 1.00 0.00 O ATOM 0 H ASP A 31 -10.519 8.150 2.098 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.999 5.723 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.448 7.348 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.891 8.563 2.437 1.00 0.00 H new ATOM 194 N GLU A 32 -12.325 8.051 -0.426 1.00 0.00 N ATOM 195 CA GLU A 32 -12.910 8.345 -1.698 1.00 0.00 C ATOM 196 C GLU A 32 -11.895 8.171 -2.788 1.00 0.00 C ATOM 197 O GLU A 32 -10.731 7.846 -2.520 1.00 0.00 O ATOM 198 CB GLU A 32 -13.475 9.755 -1.725 1.00 0.00 C ATOM 199 CG GLU A 32 -14.550 10.003 -0.697 1.00 0.00 C ATOM 200 CD GLU A 32 -15.273 11.298 -0.913 1.00 0.00 C ATOM 201 OE1 GLU A 32 -16.325 11.275 -1.585 1.00 0.00 O ATOM 202 OE2 GLU A 32 -14.835 12.359 -0.409 1.00 0.00 O ATOM 0 H GLU A 32 -11.665 8.750 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.731 7.647 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.663 10.464 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.882 9.954 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.268 9.183 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.103 10.003 0.297 1.00 0.00 H new ATOM 209 N THR A 33 -12.320 8.358 -4.004 1.00 0.00 N ATOM 210 CA THR A 33 -11.465 8.229 -5.133 1.00 0.00 C ATOM 211 C THR A 33 -10.665 9.505 -5.325 1.00 0.00 C ATOM 212 O THR A 33 -10.908 10.498 -4.619 1.00 0.00 O ATOM 213 CB THR A 33 -12.319 7.936 -6.370 1.00 0.00 C ATOM 214 OG1 THR A 33 -13.582 8.624 -6.234 1.00 0.00 O ATOM 215 CG2 THR A 33 -12.559 6.453 -6.538 1.00 0.00 C ATOM 0 H THR A 33 -13.282 8.607 -4.235 1.00 0.00 H new ATOM 0 HA THR A 33 -10.764 7.409 -4.977 1.00 0.00 H new ATOM 0 HB THR A 33 -11.787 8.287 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.505 9.527 -6.607 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.168 6.281 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.604 5.940 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.078 6.067 -5.661 1.00 0.00 H new ATOM 223 N TYR A 34 -9.708 9.475 -6.260 1.00 0.00 N ATOM 224 CA TYR A 34 -8.860 10.616 -6.628 1.00 0.00 C ATOM 225 C TYR A 34 -8.260 11.348 -5.419 1.00 0.00 C ATOM 226 O TYR A 34 -8.125 12.581 -5.416 1.00 0.00 O ATOM 227 CB TYR A 34 -9.532 11.551 -7.707 1.00 0.00 C ATOM 228 CG TYR A 34 -10.952 12.002 -7.423 1.00 0.00 C ATOM 229 CD1 TYR A 34 -11.214 13.221 -6.845 1.00 0.00 C ATOM 230 CD2 TYR A 34 -12.022 11.179 -7.723 1.00 0.00 C ATOM 231 CE1 TYR A 34 -12.509 13.614 -6.568 1.00 0.00 C ATOM 232 CE2 TYR A 34 -13.310 11.551 -7.453 1.00 0.00 C ATOM 233 CZ TYR A 34 -13.556 12.773 -6.869 1.00 0.00 C ATOM 234 OH TYR A 34 -14.854 13.159 -6.595 1.00 0.00 O ATOM 0 H TYR A 34 -9.496 8.634 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.988 10.200 -7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.910 12.438 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.525 11.028 -8.663 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.395 13.882 -6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.836 10.219 -8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.699 14.577 -6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.129 10.890 -7.696 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.471 12.450 -6.871 1.00 0.00 H new ATOM 244 N GLU A 35 -7.886 10.543 -4.402 1.00 0.00 N ATOM 245 CA GLU A 35 -7.253 10.993 -3.161 1.00 0.00 C ATOM 246 C GLU A 35 -8.154 11.878 -2.296 1.00 0.00 C ATOM 247 O GLU A 35 -7.667 12.692 -1.507 1.00 0.00 O ATOM 248 CB GLU A 35 -5.887 11.649 -3.413 1.00 0.00 C ATOM 249 CG GLU A 35 -4.823 10.678 -3.904 1.00 0.00 C ATOM 250 CD GLU A 35 -3.464 11.315 -4.010 1.00 0.00 C ATOM 251 OE1 GLU A 35 -2.971 11.506 -5.138 1.00 0.00 O ATOM 252 OE2 GLU A 35 -2.863 11.664 -2.951 1.00 0.00 O ATOM 0 H GLU A 35 -8.024 9.533 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.082 10.086 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.006 12.445 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.542 12.116 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.770 9.828 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.114 10.288 -4.879 1.00 0.00 H new ATOM 259 N ARG A 36 -9.449 11.696 -2.398 1.00 0.00 N ATOM 260 CA ARG A 36 -10.359 12.453 -1.563 1.00 0.00 C ATOM 261 C ARG A 36 -10.777 11.638 -0.349 1.00 0.00 C ATOM 262 O ARG A 36 -10.489 10.429 -0.247 1.00 0.00 O ATOM 263 CB ARG A 36 -11.598 12.916 -2.329 1.00 0.00 C ATOM 264 CG ARG A 36 -11.315 13.783 -3.529 1.00 0.00 C ATOM 265 CD ARG A 36 -10.572 15.058 -3.189 1.00 0.00 C ATOM 266 NE ARG A 36 -10.376 15.912 -4.379 1.00 0.00 N ATOM 267 CZ ARG A 36 -9.840 17.142 -4.363 1.00 0.00 C ATOM 268 NH1 ARG A 36 -9.452 17.696 -3.218 1.00 0.00 N ATOM 269 NH2 ARG A 36 -9.707 17.816 -5.495 1.00 0.00 N ATOM 0 H ARG A 36 -9.895 11.041 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.821 13.342 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.154 12.038 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.245 13.466 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.730 13.212 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.257 14.039 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.127 15.611 -2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.603 14.810 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.671 15.538 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.561 17.185 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.046 18.632 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.012 17.400 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.300 18.751 -5.487 1.00 0.00 H new ATOM 283 N GLY A 37 -11.473 12.283 0.534 1.00 0.00 N ATOM 284 CA GLY A 37 -11.915 11.673 1.742 1.00 0.00 C ATOM 285 C GLY A 37 -10.862 11.774 2.802 1.00 0.00 C ATOM 286 O GLY A 37 -9.916 12.580 2.696 1.00 0.00 O ATOM 0 H GLY A 37 -11.752 13.259 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.831 12.155 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.155 10.626 1.560 1.00 0.00 H new ATOM 290 N SER A 38 -11.025 11.034 3.832 1.00 0.00 N ATOM 291 CA SER A 38 -10.027 10.952 4.830 1.00 0.00 C ATOM 292 C SER A 38 -9.258 9.664 4.603 1.00 0.00 C ATOM 293 O SER A 38 -9.604 8.885 3.695 1.00 0.00 O ATOM 294 CB SER A 38 -10.657 11.026 6.211 1.00 0.00 C ATOM 295 OG SER A 38 -11.478 12.190 6.303 1.00 0.00 O ATOM 0 H SER A 38 -11.854 10.467 4.008 1.00 0.00 H new ATOM 0 HA SER A 38 -9.334 11.791 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.253 10.133 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.880 11.056 6.975 1.00 0.00 H new ATOM 0 HG SER A 38 -11.884 12.234 7.194 1.00 0.00 H new ATOM 301 N TYR A 39 -8.247 9.423 5.377 1.00 0.00 N ATOM 302 CA TYR A 39 -7.415 8.286 5.148 1.00 0.00 C ATOM 303 C TYR A 39 -6.952 7.694 6.445 1.00 0.00 C ATOM 304 O TYR A 39 -7.049 8.332 7.499 1.00 0.00 O ATOM 305 CB TYR A 39 -6.216 8.660 4.247 1.00 0.00 C ATOM 306 CG TYR A 39 -5.319 9.747 4.796 1.00 0.00 C ATOM 307 CD1 TYR A 39 -5.662 11.086 4.677 1.00 0.00 C ATOM 308 CD2 TYR A 39 -4.128 9.430 5.422 1.00 0.00 C ATOM 309 CE1 TYR A 39 -4.845 12.076 5.161 1.00 0.00 C ATOM 310 CE2 TYR A 39 -3.302 10.410 5.913 1.00 0.00 C ATOM 311 CZ TYR A 39 -3.659 11.738 5.780 1.00 0.00 C ATOM 312 OH TYR A 39 -2.821 12.738 6.260 1.00 0.00 O ATOM 0 H TYR A 39 -7.978 10.000 6.174 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.004 7.530 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.616 7.766 4.077 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.596 8.979 3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.590 11.354 4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.843 8.394 5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.128 13.113 5.058 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.376 10.144 6.402 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.939 12.359 6.456 1.00 0.00 H new ATOM 322 N ILE A 40 -6.447 6.505 6.359 1.00 0.00 N ATOM 323 CA ILE A 40 -5.947 5.778 7.491 1.00 0.00 C ATOM 324 C ILE A 40 -4.451 5.614 7.299 1.00 0.00 C ATOM 325 O ILE A 40 -3.970 5.637 6.155 1.00 0.00 O ATOM 326 CB ILE A 40 -6.622 4.357 7.576 1.00 0.00 C ATOM 327 CG1 ILE A 40 -6.242 3.612 8.876 1.00 0.00 C ATOM 328 CG2 ILE A 40 -6.241 3.514 6.356 1.00 0.00 C ATOM 329 CD1 ILE A 40 -6.973 2.301 9.082 1.00 0.00 C ATOM 0 H ILE A 40 -6.367 5.996 5.479 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.171 6.316 8.412 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.701 4.510 7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.169 3.419 8.869 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.443 4.264 9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.714 2.535 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.578 4.014 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.158 3.392 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.647 1.845 10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.046 2.486 9.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.753 1.627 8.254 1.00 0.00 H new ATOM 341 N GLU A 41 -3.729 5.496 8.370 1.00 0.00 N ATOM 342 CA GLU A 41 -2.331 5.229 8.288 1.00 0.00 C ATOM 343 C GLU A 41 -2.100 3.806 8.706 1.00 0.00 C ATOM 344 O GLU A 41 -2.528 3.384 9.788 1.00 0.00 O ATOM 345 CB GLU A 41 -1.562 6.148 9.214 1.00 0.00 C ATOM 346 CG GLU A 41 -1.531 7.597 8.798 1.00 0.00 C ATOM 347 CD GLU A 41 -1.001 8.470 9.891 1.00 0.00 C ATOM 348 OE1 GLU A 41 -1.694 9.428 10.294 1.00 0.00 O ATOM 349 OE2 GLU A 41 0.089 8.192 10.415 1.00 0.00 O ATOM 0 H GLU A 41 -4.092 5.582 9.319 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.987 5.395 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.998 6.082 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.537 5.786 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.910 7.708 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.536 7.921 8.528 1.00 0.00 H new ATOM 356 N VAL A 42 -1.460 3.076 7.870 1.00 0.00 N ATOM 357 CA VAL A 42 -1.118 1.720 8.153 1.00 0.00 C ATOM 358 C VAL A 42 0.372 1.595 8.108 1.00 0.00 C ATOM 359 O VAL A 42 1.019 2.167 7.239 1.00 0.00 O ATOM 360 CB VAL A 42 -1.768 0.745 7.152 1.00 0.00 C ATOM 361 CG1 VAL A 42 -1.324 -0.681 7.420 1.00 0.00 C ATOM 362 CG2 VAL A 42 -3.277 0.853 7.219 1.00 0.00 C ATOM 0 H VAL A 42 -1.151 3.402 6.954 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.495 1.456 9.141 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.443 1.017 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.796 -1.350 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.241 -0.749 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.616 -0.969 8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.723 0.159 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.615 0.607 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.580 1.871 6.973 1.00 0.00 H new ATOM 372 N TYR A 43 0.910 0.900 9.048 1.00 0.00 N ATOM 373 CA TYR A 43 2.322 0.764 9.156 1.00 0.00 C ATOM 374 C TYR A 43 2.719 -0.710 8.989 1.00 0.00 C ATOM 375 O TYR A 43 3.809 -1.017 8.507 1.00 0.00 O ATOM 376 CB TYR A 43 2.768 1.271 10.533 1.00 0.00 C ATOM 377 CG TYR A 43 2.165 2.612 10.950 1.00 0.00 C ATOM 378 CD1 TYR A 43 2.697 3.810 10.513 1.00 0.00 C ATOM 379 CD2 TYR A 43 1.057 2.662 11.791 1.00 0.00 C ATOM 380 CE1 TYR A 43 2.143 5.023 10.899 1.00 0.00 C ATOM 381 CE2 TYR A 43 0.499 3.866 12.177 1.00 0.00 C ATOM 382 CZ TYR A 43 1.048 5.043 11.728 1.00 0.00 C ATOM 383 OH TYR A 43 0.495 6.250 12.114 1.00 0.00 O ATOM 0 H TYR A 43 0.381 0.407 9.768 1.00 0.00 H new ATOM 0 HA TYR A 43 2.808 1.349 8.375 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.507 0.523 11.282 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.854 1.360 10.537 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.558 3.803 9.861 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.624 1.740 12.150 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.572 5.950 10.548 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.363 3.882 12.827 1.00 0.00 H new ATOM 0 HH TYR A 43 0.106 6.696 11.333 1.00 0.00 H new ATOM 393 N LYS A 44 1.812 -1.618 9.350 1.00 0.00 N ATOM 394 CA LYS A 44 2.122 -3.059 9.360 1.00 0.00 C ATOM 395 C LYS A 44 1.420 -3.750 8.209 1.00 0.00 C ATOM 396 O LYS A 44 0.497 -3.205 7.625 1.00 0.00 O ATOM 397 CB LYS A 44 1.604 -3.737 10.648 1.00 0.00 C ATOM 398 CG LYS A 44 1.636 -2.902 11.888 1.00 0.00 C ATOM 399 CD LYS A 44 3.004 -2.429 12.273 1.00 0.00 C ATOM 400 CE LYS A 44 2.821 -1.374 13.306 1.00 0.00 C ATOM 401 NZ LYS A 44 4.090 -0.789 13.778 1.00 0.00 N ATOM 0 H LYS A 44 0.861 -1.389 9.639 1.00 0.00 H new ATOM 0 HA LYS A 44 3.206 -3.148 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.577 -4.059 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.195 -4.636 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.990 -2.035 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.218 -3.479 12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.602 -3.253 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.534 -2.033 11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.194 -0.581 12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.286 -1.797 14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.892 -0.062 14.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.682 -1.535 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.592 -0.357 12.977 1.00 0.00 H new ATOM 415 N SER A 45 1.857 -4.930 7.886 1.00 0.00 N ATOM 416 CA SER A 45 1.169 -5.737 6.930 1.00 0.00 C ATOM 417 C SER A 45 0.123 -6.603 7.654 1.00 0.00 C ATOM 418 O SER A 45 0.372 -7.098 8.763 1.00 0.00 O ATOM 419 CB SER A 45 2.178 -6.562 6.145 1.00 0.00 C ATOM 420 OG SER A 45 3.181 -7.093 6.994 1.00 0.00 O ATOM 0 H SER A 45 2.697 -5.357 8.277 1.00 0.00 H new ATOM 0 HA SER A 45 0.634 -5.116 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.665 -7.375 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.640 -5.941 5.377 1.00 0.00 H new ATOM 0 HG SER A 45 3.814 -7.620 6.463 1.00 0.00 H new ATOM 426 N VAL A 46 -1.017 -6.778 7.043 1.00 0.00 N ATOM 427 CA VAL A 46 -2.113 -7.465 7.667 1.00 0.00 C ATOM 428 C VAL A 46 -2.509 -8.695 6.830 1.00 0.00 C ATOM 429 O VAL A 46 -2.654 -8.607 5.606 1.00 0.00 O ATOM 430 CB VAL A 46 -3.326 -6.493 7.858 1.00 0.00 C ATOM 431 CG1 VAL A 46 -3.969 -6.091 6.548 1.00 0.00 C ATOM 432 CG2 VAL A 46 -4.332 -7.048 8.830 1.00 0.00 C ATOM 0 H VAL A 46 -1.212 -6.448 6.098 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.804 -7.811 8.653 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.923 -5.577 8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.803 -5.417 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.234 -5.586 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.334 -6.980 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.159 -6.347 8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.710 -8.001 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.857 -7.199 9.799 1.00 0.00 H new ATOM 442 N GLY A 47 -2.680 -9.823 7.479 1.00 0.00 N ATOM 443 CA GLY A 47 -2.974 -11.045 6.761 1.00 0.00 C ATOM 444 C GLY A 47 -4.436 -11.397 6.752 1.00 0.00 C ATOM 445 O GLY A 47 -4.832 -12.411 6.151 1.00 0.00 O ATOM 0 H GLY A 47 -2.622 -9.922 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.626 -10.946 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.413 -11.865 7.210 1.00 0.00 H new ATOM 449 N SER A 48 -5.238 -10.588 7.412 1.00 0.00 N ATOM 450 CA SER A 48 -6.663 -10.766 7.424 1.00 0.00 C ATOM 451 C SER A 48 -7.331 -9.529 7.975 1.00 0.00 C ATOM 452 O SER A 48 -6.938 -9.006 9.016 1.00 0.00 O ATOM 453 CB SER A 48 -7.067 -12.006 8.244 1.00 0.00 C ATOM 454 OG SER A 48 -8.467 -12.232 8.199 1.00 0.00 O ATOM 0 H SER A 48 -4.913 -9.788 7.955 1.00 0.00 H new ATOM 0 HA SER A 48 -6.995 -10.926 6.398 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.544 -12.882 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.753 -11.876 9.279 1.00 0.00 H new ATOM 0 HG SER A 48 -8.687 -13.027 8.728 1.00 0.00 H new ATOM 460 N LEU A 49 -8.293 -9.052 7.252 1.00 0.00 N ATOM 461 CA LEU A 49 -9.103 -7.936 7.638 1.00 0.00 C ATOM 462 C LEU A 49 -10.521 -8.394 7.644 1.00 0.00 C ATOM 463 O LEU A 49 -11.028 -8.881 6.634 1.00 0.00 O ATOM 464 CB LEU A 49 -8.936 -6.812 6.614 1.00 0.00 C ATOM 465 CG LEU A 49 -7.571 -6.140 6.600 1.00 0.00 C ATOM 466 CD1 LEU A 49 -7.432 -5.252 5.391 1.00 0.00 C ATOM 467 CD2 LEU A 49 -7.380 -5.328 7.866 1.00 0.00 C ATOM 0 H LEU A 49 -8.547 -9.441 6.344 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.812 -7.566 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.134 -7.216 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.694 -6.053 6.806 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.804 -6.913 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.450 -4.780 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.541 -5.850 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.204 -4.483 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.400 -4.850 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.155 -4.564 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.447 -5.985 8.733 1.00 0.00 H new ATOM 479 N SER A 50 -11.130 -8.350 8.778 1.00 0.00 N ATOM 480 CA SER A 50 -12.514 -8.658 8.892 1.00 0.00 C ATOM 481 C SER A 50 -13.195 -7.589 9.735 1.00 0.00 C ATOM 482 O SER A 50 -12.881 -7.448 10.915 1.00 0.00 O ATOM 483 CB SER A 50 -12.709 -10.048 9.453 1.00 0.00 C ATOM 484 OG SER A 50 -11.947 -10.994 8.701 1.00 0.00 O ATOM 0 H SER A 50 -10.680 -8.098 9.658 1.00 0.00 H new ATOM 0 HA SER A 50 -12.977 -8.657 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.403 -10.072 10.499 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.765 -10.315 9.424 1.00 0.00 H new ATOM 0 HG SER A 50 -12.079 -11.891 9.074 1.00 0.00 H new ATOM 490 N PRO A 51 -14.074 -6.787 9.146 1.00 0.00 N ATOM 491 CA PRO A 51 -14.401 -6.861 7.726 1.00 0.00 C ATOM 492 C PRO A 51 -13.275 -6.249 6.856 1.00 0.00 C ATOM 493 O PRO A 51 -12.409 -5.522 7.377 1.00 0.00 O ATOM 494 CB PRO A 51 -15.677 -6.014 7.606 1.00 0.00 C ATOM 495 CG PRO A 51 -16.085 -5.686 9.004 1.00 0.00 C ATOM 496 CD PRO A 51 -14.839 -5.741 9.820 1.00 0.00 C ATOM 0 HA PRO A 51 -14.525 -7.888 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.491 -5.107 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.463 -6.564 7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.542 -4.698 9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.824 -6.398 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.311 -4.787 9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -15.045 -5.993 10.860 1.00 0.00 H new ATOM 504 N PRO A 52 -13.247 -6.568 5.550 1.00 0.00 N ATOM 505 CA PRO A 52 -12.260 -6.014 4.613 1.00 0.00 C ATOM 506 C PRO A 52 -12.410 -4.494 4.498 1.00 0.00 C ATOM 507 O PRO A 52 -13.475 -3.943 4.799 1.00 0.00 O ATOM 508 CB PRO A 52 -12.611 -6.686 3.273 1.00 0.00 C ATOM 509 CG PRO A 52 -14.019 -7.139 3.430 1.00 0.00 C ATOM 510 CD PRO A 52 -14.174 -7.495 4.878 1.00 0.00 C ATOM 0 HA PRO A 52 -11.233 -6.198 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.511 -5.987 2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.947 -7.525 3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.717 -6.352 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.227 -7.998 2.792 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.200 -7.357 5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.912 -8.536 5.068 1.00 0.00 H new ATOM 518 N TRP A 53 -11.382 -3.825 4.073 1.00 0.00 N ATOM 519 CA TRP A 53 -11.418 -2.384 3.968 1.00 0.00 C ATOM 520 C TRP A 53 -11.900 -1.983 2.611 1.00 0.00 C ATOM 521 O TRP A 53 -11.582 -2.638 1.638 1.00 0.00 O ATOM 522 CB TRP A 53 -10.036 -1.784 4.206 1.00 0.00 C ATOM 523 CG TRP A 53 -9.549 -1.894 5.621 1.00 0.00 C ATOM 524 CD1 TRP A 53 -10.302 -2.124 6.740 1.00 0.00 C ATOM 525 CD2 TRP A 53 -8.202 -1.744 6.075 1.00 0.00 C ATOM 526 NE1 TRP A 53 -9.500 -2.130 7.848 1.00 0.00 N ATOM 527 CE2 TRP A 53 -8.213 -1.892 7.472 1.00 0.00 C ATOM 528 CE3 TRP A 53 -6.986 -1.503 5.440 1.00 0.00 C ATOM 529 CZ2 TRP A 53 -7.060 -1.796 8.241 1.00 0.00 C ATOM 530 CZ3 TRP A 53 -5.846 -1.415 6.211 1.00 0.00 C ATOM 531 CH2 TRP A 53 -5.891 -1.560 7.595 1.00 0.00 C ATOM 0 H TRP A 53 -10.499 -4.250 3.790 1.00 0.00 H new ATOM 0 HA TRP A 53 -12.101 -2.008 4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.320 -2.278 3.549 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.056 -0.732 3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -11.371 -2.278 6.747 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -9.816 -2.288 8.805 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.937 -1.388 4.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.093 -1.905 9.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.897 -1.229 5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.977 -1.483 8.165 1.00 0.00 H new ATOM 542 N THR A 54 -12.655 -0.917 2.538 1.00 0.00 N ATOM 543 CA THR A 54 -13.150 -0.450 1.263 1.00 0.00 C ATOM 544 C THR A 54 -12.710 0.999 0.950 1.00 0.00 C ATOM 545 O THR A 54 -13.469 1.955 1.170 1.00 0.00 O ATOM 546 CB THR A 54 -14.689 -0.630 1.127 1.00 0.00 C ATOM 547 OG1 THR A 54 -15.375 -0.142 2.307 1.00 0.00 O ATOM 548 CG2 THR A 54 -15.038 -2.093 0.913 1.00 0.00 C ATOM 0 H THR A 54 -12.941 -0.356 3.341 1.00 0.00 H new ATOM 0 HA THR A 54 -12.688 -1.085 0.508 1.00 0.00 H new ATOM 0 HB THR A 54 -15.014 -0.050 0.263 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.341 -0.264 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.119 -2.199 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.558 -2.452 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.688 -2.679 1.763 1.00 0.00 H new ATOM 556 N PRO A 55 -11.437 1.190 0.540 1.00 0.00 N ATOM 557 CA PRO A 55 -10.915 2.499 0.169 1.00 0.00 C ATOM 558 C PRO A 55 -11.290 2.899 -1.260 1.00 0.00 C ATOM 559 O PRO A 55 -11.585 2.048 -2.110 1.00 0.00 O ATOM 560 CB PRO A 55 -9.412 2.301 0.268 1.00 0.00 C ATOM 561 CG PRO A 55 -9.215 0.888 -0.120 1.00 0.00 C ATOM 562 CD PRO A 55 -10.383 0.152 0.459 1.00 0.00 C ATOM 0 HA PRO A 55 -11.314 3.291 0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.875 2.977 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.049 2.493 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.180 0.779 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.274 0.501 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.687 -0.681 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.151 -0.262 1.440 1.00 0.00 H new ATOM 570 N GLY A 56 -11.271 4.178 -1.517 1.00 0.00 N ATOM 571 CA GLY A 56 -11.577 4.681 -2.829 1.00 0.00 C ATOM 572 C GLY A 56 -10.325 4.872 -3.643 1.00 0.00 C ATOM 573 O GLY A 56 -10.344 4.771 -4.870 1.00 0.00 O ATOM 0 H GLY A 56 -11.045 4.897 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.245 3.988 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.107 5.630 -2.743 1.00 0.00 H new ATOM 577 N SER A 57 -9.236 5.131 -2.967 1.00 0.00 N ATOM 578 CA SER A 57 -7.958 5.316 -3.590 1.00 0.00 C ATOM 579 C SER A 57 -6.871 5.038 -2.566 1.00 0.00 C ATOM 580 O SER A 57 -7.118 5.114 -1.367 1.00 0.00 O ATOM 581 CB SER A 57 -7.840 6.723 -4.232 1.00 0.00 C ATOM 582 OG SER A 57 -8.182 7.763 -3.333 1.00 0.00 O ATOM 0 H SER A 57 -9.216 5.220 -1.951 1.00 0.00 H new ATOM 0 HA SER A 57 -7.840 4.611 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.819 6.873 -4.584 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.489 6.775 -5.106 1.00 0.00 H new ATOM 0 HG SER A 57 -9.083 7.608 -2.981 1.00 0.00 H new ATOM 588 N VAL A 58 -5.707 4.664 -3.020 1.00 0.00 N ATOM 589 CA VAL A 58 -4.616 4.306 -2.129 1.00 0.00 C ATOM 590 C VAL A 58 -3.379 5.035 -2.589 1.00 0.00 C ATOM 591 O VAL A 58 -3.218 5.253 -3.791 1.00 0.00 O ATOM 592 CB VAL A 58 -4.333 2.771 -2.182 1.00 0.00 C ATOM 593 CG1 VAL A 58 -3.262 2.373 -1.183 1.00 0.00 C ATOM 594 CG2 VAL A 58 -5.605 1.957 -1.961 1.00 0.00 C ATOM 0 H VAL A 58 -5.479 4.596 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.885 4.577 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.964 2.547 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.088 1.299 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.337 2.904 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.590 2.630 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.369 0.894 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.024 2.196 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.331 2.199 -2.737 1.00 0.00 H new ATOM 604 N CYS A 59 -2.530 5.441 -1.677 1.00 0.00 N ATOM 605 CA CYS A 59 -1.304 6.079 -2.057 1.00 0.00 C ATOM 606 C CYS A 59 -0.189 5.722 -1.098 1.00 0.00 C ATOM 607 O CYS A 59 -0.427 5.479 0.103 1.00 0.00 O ATOM 608 CB CYS A 59 -1.455 7.596 -2.148 1.00 0.00 C ATOM 609 SG CYS A 59 0.020 8.419 -2.837 1.00 0.00 S ATOM 0 H CYS A 59 -2.669 5.339 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.047 5.710 -3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.319 7.833 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.656 7.996 -1.154 1.00 0.00 H new ATOM 614 N VAL A 60 1.004 5.651 -1.629 1.00 0.00 N ATOM 615 CA VAL A 60 2.191 5.405 -0.852 1.00 0.00 C ATOM 616 C VAL A 60 3.035 6.674 -0.896 1.00 0.00 C ATOM 617 O VAL A 60 3.316 7.185 -1.981 1.00 0.00 O ATOM 618 CB VAL A 60 3.014 4.214 -1.420 1.00 0.00 C ATOM 619 CG1 VAL A 60 4.255 3.940 -0.573 1.00 0.00 C ATOM 620 CG2 VAL A 60 2.155 2.968 -1.514 1.00 0.00 C ATOM 0 H VAL A 60 1.181 5.764 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 60 1.909 5.146 0.168 1.00 0.00 H new ATOM 0 HB VAL A 60 3.345 4.489 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.807 3.102 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.891 4.825 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.954 3.697 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.749 2.146 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.789 2.703 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.309 3.158 -2.174 1.00 0.00 H new ATOM 630 N PRO A 61 3.430 7.204 0.270 1.00 0.00 N ATOM 631 CA PRO A 61 4.200 8.448 0.361 1.00 0.00 C ATOM 632 C PRO A 61 5.546 8.351 -0.357 1.00 0.00 C ATOM 633 O PRO A 61 6.147 7.262 -0.459 1.00 0.00 O ATOM 634 CB PRO A 61 4.407 8.643 1.868 1.00 0.00 C ATOM 635 CG PRO A 61 4.182 7.300 2.458 1.00 0.00 C ATOM 636 CD PRO A 61 3.170 6.634 1.587 1.00 0.00 C ATOM 0 HA PRO A 61 3.681 9.279 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.411 9.008 2.086 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.708 9.375 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.109 6.727 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.822 7.379 3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.291 5.551 1.587 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.153 6.842 1.921 1.00 0.00 H new ATOM 644 N PHE A 62 6.015 9.467 -0.849 1.00 0.00 N ATOM 645 CA PHE A 62 7.245 9.507 -1.590 1.00 0.00 C ATOM 646 C PHE A 62 8.453 9.366 -0.676 1.00 0.00 C ATOM 647 O PHE A 62 8.547 9.994 0.389 1.00 0.00 O ATOM 648 CB PHE A 62 7.332 10.772 -2.452 1.00 0.00 C ATOM 649 CG PHE A 62 8.605 10.897 -3.261 1.00 0.00 C ATOM 650 CD1 PHE A 62 9.440 11.986 -3.095 1.00 0.00 C ATOM 651 CD2 PHE A 62 8.966 9.920 -4.183 1.00 0.00 C ATOM 652 CE1 PHE A 62 10.595 12.106 -3.828 1.00 0.00 C ATOM 653 CE2 PHE A 62 10.126 10.038 -4.915 1.00 0.00 C ATOM 654 CZ PHE A 62 10.939 11.133 -4.739 1.00 0.00 C ATOM 0 H PHE A 62 5.555 10.372 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 62 7.252 8.650 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.481 10.791 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.242 11.644 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.181 12.752 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.329 9.059 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.235 12.965 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.397 9.272 -5.626 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.847 11.230 -5.315 1.00 0.00 H new ATOM 664 N VAL A 63 9.335 8.504 -1.073 1.00 0.00 N ATOM 665 CA VAL A 63 10.566 8.265 -0.388 1.00 0.00 C ATOM 666 C VAL A 63 11.691 8.500 -1.376 1.00 0.00 C ATOM 667 O VAL A 63 11.738 7.857 -2.421 1.00 0.00 O ATOM 668 CB VAL A 63 10.621 6.807 0.180 1.00 0.00 C ATOM 669 CG1 VAL A 63 11.957 6.500 0.838 1.00 0.00 C ATOM 670 CG2 VAL A 63 9.484 6.582 1.165 1.00 0.00 C ATOM 0 H VAL A 63 9.215 7.930 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 63 10.659 8.939 0.463 1.00 0.00 H new ATOM 0 HB VAL A 63 10.508 6.124 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.949 5.478 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.757 6.609 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.124 7.192 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.534 5.564 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.572 7.289 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.530 6.731 0.660 1.00 0.00 H new ATOM 680 N ASN A 64 12.526 9.469 -1.083 1.00 0.00 N ATOM 681 CA ASN A 64 13.689 9.795 -1.926 1.00 0.00 C ATOM 682 C ASN A 64 14.934 9.584 -1.064 1.00 0.00 C ATOM 683 O ASN A 64 16.074 9.908 -1.423 1.00 0.00 O ATOM 684 CB ASN A 64 13.610 11.264 -2.366 1.00 0.00 C ATOM 685 CG ASN A 64 14.679 11.656 -3.376 1.00 0.00 C ATOM 686 OD1 ASN A 64 15.119 10.839 -4.196 1.00 0.00 O ATOM 687 ND2 ASN A 64 15.116 12.889 -3.320 1.00 0.00 N ATOM 0 H ASN A 64 12.433 10.062 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 64 13.717 9.168 -2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.627 11.453 -2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.700 11.903 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 64 15.841 13.203 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.731 13.536 -2.632 1.00 0.00 H new ATOM 694 N ASP A 65 14.658 9.027 0.077 1.00 0.00 N ATOM 695 CA ASP A 65 15.576 8.789 1.166 1.00 0.00 C ATOM 696 C ASP A 65 16.733 7.898 0.794 1.00 0.00 C ATOM 697 O ASP A 65 16.608 6.988 -0.034 1.00 0.00 O ATOM 698 CB ASP A 65 14.825 8.231 2.371 1.00 0.00 C ATOM 699 CG ASP A 65 13.712 9.155 2.816 1.00 0.00 C ATOM 700 OD1 ASP A 65 13.826 9.783 3.888 1.00 0.00 O ATOM 701 OD2 ASP A 65 12.704 9.291 2.074 1.00 0.00 O ATOM 0 H ASP A 65 13.716 8.700 0.293 1.00 0.00 H new ATOM 0 HA ASP A 65 16.014 9.753 1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.409 7.255 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.522 8.078 3.195 1.00 0.00 H new ATOM 706 N THR A 66 17.866 8.207 1.388 1.00 0.00 N ATOM 707 CA THR A 66 19.144 7.517 1.224 1.00 0.00 C ATOM 708 C THR A 66 19.076 6.016 1.659 1.00 0.00 C ATOM 709 O THR A 66 20.051 5.258 1.496 1.00 0.00 O ATOM 710 CB THR A 66 20.147 8.248 2.117 1.00 0.00 C ATOM 711 OG1 THR A 66 19.795 9.654 2.120 1.00 0.00 O ATOM 712 CG2 THR A 66 21.570 8.091 1.593 1.00 0.00 C ATOM 0 H THR A 66 17.932 8.991 2.037 1.00 0.00 H new ATOM 0 HA THR A 66 19.427 7.527 0.171 1.00 0.00 H new ATOM 0 HB THR A 66 20.110 7.826 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.423 10.147 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.260 8.622 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.834 7.034 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 66 21.635 8.505 0.587 1.00 0.00 H new ATOM 720 N LYS A 67 17.948 5.620 2.241 1.00 0.00 N ATOM 721 CA LYS A 67 17.707 4.249 2.685 1.00 0.00 C ATOM 722 C LYS A 67 17.838 3.317 1.485 1.00 0.00 C ATOM 723 O LYS A 67 17.434 3.680 0.369 1.00 0.00 O ATOM 724 CB LYS A 67 16.296 4.141 3.264 1.00 0.00 C ATOM 725 CG LYS A 67 15.986 5.148 4.367 1.00 0.00 C ATOM 726 CD LYS A 67 16.788 4.903 5.637 1.00 0.00 C ATOM 727 CE LYS A 67 16.435 5.936 6.693 1.00 0.00 C ATOM 728 NZ LYS A 67 17.125 5.700 7.977 1.00 0.00 N ATOM 0 H LYS A 67 17.165 6.249 2.420 1.00 0.00 H new ATOM 0 HA LYS A 67 18.431 3.973 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.575 4.272 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 67 16.155 3.135 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.192 6.154 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.922 5.106 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.584 3.902 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.854 4.949 5.416 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.693 6.929 6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.358 5.927 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.848 6.434 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.860 4.765 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.154 5.735 7.830 1.00 0.00 H new ATOM 742 N ARG A 68 18.389 2.142 1.693 1.00 0.00 N ATOM 743 CA ARG A 68 18.660 1.243 0.589 1.00 0.00 C ATOM 744 C ARG A 68 17.370 0.606 0.077 1.00 0.00 C ATOM 745 O ARG A 68 17.293 0.196 -1.084 1.00 0.00 O ATOM 746 CB ARG A 68 19.661 0.169 0.989 1.00 0.00 C ATOM 747 CG ARG A 68 20.265 -0.573 -0.191 1.00 0.00 C ATOM 748 CD ARG A 68 21.093 -1.746 0.265 1.00 0.00 C ATOM 749 NE ARG A 68 20.244 -2.757 0.874 1.00 0.00 N ATOM 750 CZ ARG A 68 20.629 -3.922 1.362 1.00 0.00 C ATOM 751 NH1 ARG A 68 21.922 -4.231 1.447 1.00 0.00 N ATOM 752 NH2 ARG A 68 19.709 -4.756 1.810 1.00 0.00 N ATOM 0 H ARG A 68 18.658 1.786 2.610 1.00 0.00 H new ATOM 0 HA ARG A 68 19.098 1.831 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 68 20.463 0.629 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 68 19.168 -0.549 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.470 -0.921 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.886 0.109 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.628 -2.174 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 68 21.844 -1.413 0.981 1.00 0.00 H new ATOM 0 HE ARG A 68 19.248 -2.544 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.627 -3.564 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.207 -5.134 1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.724 -4.495 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.984 -5.661 2.191 1.00 0.00 H new ATOM 766 N GLU A 69 16.373 0.515 0.938 1.00 0.00 N ATOM 767 CA GLU A 69 15.081 -0.011 0.555 1.00 0.00 C ATOM 768 C GLU A 69 14.013 1.073 0.540 1.00 0.00 C ATOM 769 O GLU A 69 13.923 1.885 1.463 1.00 0.00 O ATOM 770 CB GLU A 69 14.596 -1.145 1.478 1.00 0.00 C ATOM 771 CG GLU A 69 15.321 -2.483 1.369 1.00 0.00 C ATOM 772 CD GLU A 69 16.757 -2.443 1.783 1.00 0.00 C ATOM 773 OE1 GLU A 69 17.629 -2.540 0.920 1.00 0.00 O ATOM 774 OE2 GLU A 69 17.033 -2.322 3.000 1.00 0.00 O ATOM 0 H GLU A 69 16.437 0.802 1.915 1.00 0.00 H new ATOM 0 HA GLU A 69 15.226 -0.410 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.674 -0.800 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.538 -1.315 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.799 -3.216 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.262 -2.831 0.338 1.00 0.00 H new ATOM 781 N ARG A 70 13.229 1.098 -0.506 1.00 0.00 N ATOM 782 CA ARG A 70 12.034 1.904 -0.528 1.00 0.00 C ATOM 783 C ARG A 70 10.876 1.026 -0.150 1.00 0.00 C ATOM 784 O ARG A 70 10.912 -0.180 -0.386 1.00 0.00 O ATOM 785 CB ARG A 70 11.743 2.593 -1.880 1.00 0.00 C ATOM 786 CG ARG A 70 12.382 3.966 -2.053 1.00 0.00 C ATOM 787 CD ARG A 70 13.857 3.873 -2.209 1.00 0.00 C ATOM 788 NE ARG A 70 14.183 3.109 -3.416 1.00 0.00 N ATOM 789 CZ ARG A 70 15.042 2.111 -3.469 1.00 0.00 C ATOM 790 NH1 ARG A 70 15.933 1.970 -2.513 1.00 0.00 N ATOM 791 NH2 ARG A 70 15.062 1.323 -4.529 1.00 0.00 N ATOM 0 H ARG A 70 13.397 0.566 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 70 12.186 2.718 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.090 1.944 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.664 2.694 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.955 4.458 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.146 4.588 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.289 4.872 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.294 3.392 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 70 13.709 3.369 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.957 2.631 -1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.601 1.200 -2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.415 1.489 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.724 0.549 -4.576 1.00 0.00 H new ATOM 805 N PRO A 71 9.858 1.584 0.458 1.00 0.00 N ATOM 806 CA PRO A 71 8.700 0.822 0.872 1.00 0.00 C ATOM 807 C PRO A 71 7.735 0.568 -0.298 1.00 0.00 C ATOM 808 O PRO A 71 7.477 1.464 -1.123 1.00 0.00 O ATOM 809 CB PRO A 71 8.078 1.721 1.936 1.00 0.00 C ATOM 810 CG PRO A 71 8.396 3.105 1.484 1.00 0.00 C ATOM 811 CD PRO A 71 9.737 3.012 0.796 1.00 0.00 C ATOM 0 HA PRO A 71 8.946 -0.175 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.002 1.564 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.497 1.519 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.632 3.480 0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.436 3.793 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.774 3.639 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.546 3.339 1.450 1.00 0.00 H new ATOM 819 N TYR A 72 7.235 -0.639 -0.381 1.00 0.00 N ATOM 820 CA TYR A 72 6.333 -1.021 -1.429 1.00 0.00 C ATOM 821 C TYR A 72 5.154 -1.740 -0.765 1.00 0.00 C ATOM 822 O TYR A 72 5.349 -2.525 0.160 1.00 0.00 O ATOM 823 CB TYR A 72 7.069 -1.947 -2.419 1.00 0.00 C ATOM 824 CG TYR A 72 6.452 -2.007 -3.799 1.00 0.00 C ATOM 825 CD1 TYR A 72 5.344 -2.787 -4.060 1.00 0.00 C ATOM 826 CD2 TYR A 72 6.994 -1.268 -4.844 1.00 0.00 C ATOM 827 CE1 TYR A 72 4.786 -2.830 -5.319 1.00 0.00 C ATOM 828 CE2 TYR A 72 6.443 -1.308 -6.109 1.00 0.00 C ATOM 829 CZ TYR A 72 5.334 -2.089 -6.341 1.00 0.00 C ATOM 830 OH TYR A 72 4.765 -2.133 -7.604 1.00 0.00 O ATOM 0 H TYR A 72 7.445 -1.385 0.282 1.00 0.00 H new ATOM 0 HA TYR A 72 5.972 -0.159 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.102 -1.612 -2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.097 -2.954 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.907 -3.373 -3.265 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.862 -0.651 -4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.918 -3.446 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.879 -0.731 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 72 3.812 -1.915 -7.541 1.00 0.00 H new ATOM 840 N TRP A 73 3.961 -1.464 -1.192 1.00 0.00 N ATOM 841 CA TRP A 73 2.797 -2.008 -0.545 1.00 0.00 C ATOM 842 C TRP A 73 1.940 -2.813 -1.502 1.00 0.00 C ATOM 843 O TRP A 73 1.655 -2.381 -2.620 1.00 0.00 O ATOM 844 CB TRP A 73 1.985 -0.877 0.084 1.00 0.00 C ATOM 845 CG TRP A 73 2.665 -0.209 1.249 1.00 0.00 C ATOM 846 CD1 TRP A 73 3.549 0.831 1.219 1.00 0.00 C ATOM 847 CD2 TRP A 73 2.485 -0.538 2.615 1.00 0.00 C ATOM 848 NE1 TRP A 73 3.915 1.170 2.500 1.00 0.00 N ATOM 849 CE2 TRP A 73 3.270 0.341 3.374 1.00 0.00 C ATOM 850 CE3 TRP A 73 1.722 -1.490 3.263 1.00 0.00 C ATOM 851 CZ2 TRP A 73 3.307 0.287 4.765 1.00 0.00 C ATOM 852 CZ3 TRP A 73 1.748 -1.550 4.631 1.00 0.00 C ATOM 853 CH2 TRP A 73 2.535 -0.665 5.375 1.00 0.00 C ATOM 0 H TRP A 73 3.762 -0.862 -1.991 1.00 0.00 H new ATOM 0 HA TRP A 73 3.132 -2.692 0.235 1.00 0.00 H new ATOM 0 HB2 TRP A 73 1.774 -0.127 -0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 73 1.025 -1.273 0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.907 1.315 0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.561 1.917 2.756 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.112 -2.179 2.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.919 0.967 5.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.152 -2.291 5.143 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.534 -0.734 6.453 1.00 0.00 H new ATOM 864 N TYR A 74 1.558 -3.979 -1.070 1.00 0.00 N ATOM 865 CA TYR A 74 0.692 -4.847 -1.820 1.00 0.00 C ATOM 866 C TYR A 74 -0.638 -4.985 -1.131 1.00 0.00 C ATOM 867 O TYR A 74 -0.702 -5.086 0.091 1.00 0.00 O ATOM 868 CB TYR A 74 1.327 -6.215 -2.049 1.00 0.00 C ATOM 869 CG TYR A 74 2.239 -6.272 -3.247 1.00 0.00 C ATOM 870 CD1 TYR A 74 3.600 -6.084 -3.135 1.00 0.00 C ATOM 871 CD2 TYR A 74 1.718 -6.519 -4.505 1.00 0.00 C ATOM 872 CE1 TYR A 74 4.417 -6.139 -4.246 1.00 0.00 C ATOM 873 CE2 TYR A 74 2.519 -6.575 -5.612 1.00 0.00 C ATOM 874 CZ TYR A 74 3.864 -6.385 -5.485 1.00 0.00 C ATOM 875 OH TYR A 74 4.667 -6.441 -6.604 1.00 0.00 O ATOM 0 H TYR A 74 1.844 -4.363 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 74 0.533 -4.393 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.893 -6.495 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.537 -6.956 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.033 -5.891 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.654 -6.671 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.482 -5.990 -4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.088 -6.769 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 74 4.116 -6.624 -7.393 1.00 0.00 H new ATOM 885 N LEU A 75 -1.680 -5.049 -1.905 1.00 0.00 N ATOM 886 CA LEU A 75 -3.027 -5.088 -1.390 1.00 0.00 C ATOM 887 C LEU A 75 -3.686 -6.300 -1.981 1.00 0.00 C ATOM 888 O LEU A 75 -3.428 -6.640 -3.142 1.00 0.00 O ATOM 889 CB LEU A 75 -3.796 -3.842 -1.865 1.00 0.00 C ATOM 890 CG LEU A 75 -3.067 -2.493 -1.747 1.00 0.00 C ATOM 891 CD1 LEU A 75 -3.911 -1.376 -2.309 1.00 0.00 C ATOM 892 CD2 LEU A 75 -2.690 -2.189 -0.315 1.00 0.00 C ATOM 0 H LEU A 75 -1.624 -5.076 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.022 -5.118 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.071 -3.990 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.724 -3.778 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.149 -2.568 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.375 -0.432 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.119 -1.571 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.850 -1.317 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.177 -1.228 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.591 -2.148 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.030 -2.971 0.061 1.00 0.00 H new ATOM 904 N PHE A 76 -4.498 -6.961 -1.195 1.00 0.00 N ATOM 905 CA PHE A 76 -5.132 -8.191 -1.597 1.00 0.00 C ATOM 906 C PHE A 76 -6.597 -8.175 -1.276 1.00 0.00 C ATOM 907 O PHE A 76 -7.017 -7.694 -0.227 1.00 0.00 O ATOM 908 CB PHE A 76 -4.469 -9.386 -0.918 1.00 0.00 C ATOM 909 CG PHE A 76 -3.029 -9.535 -1.275 1.00 0.00 C ATOM 910 CD1 PHE A 76 -2.051 -8.877 -0.551 1.00 0.00 C ATOM 911 CD2 PHE A 76 -2.653 -10.313 -2.347 1.00 0.00 C ATOM 912 CE1 PHE A 76 -0.733 -8.989 -0.896 1.00 0.00 C ATOM 913 CE2 PHE A 76 -1.335 -10.435 -2.688 1.00 0.00 C ATOM 914 CZ PHE A 76 -0.371 -9.770 -1.965 1.00 0.00 C ATOM 0 H PHE A 76 -4.739 -6.658 -0.251 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.014 -8.284 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.560 -9.279 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.002 -10.296 -1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.332 -8.268 0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.406 -10.831 -2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.022 -8.464 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.050 -11.054 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.670 -9.863 -2.239 1.00 0.00 H new ATOM 924 N ASP A 77 -7.350 -8.725 -2.167 1.00 0.00 N ATOM 925 CA ASP A 77 -8.815 -8.781 -2.084 1.00 0.00 C ATOM 926 C ASP A 77 -9.307 -9.973 -1.286 1.00 0.00 C ATOM 927 O ASP A 77 -10.486 -10.067 -0.958 1.00 0.00 O ATOM 928 CB ASP A 77 -9.376 -8.708 -3.502 1.00 0.00 C ATOM 929 CG ASP A 77 -10.840 -9.062 -3.726 1.00 0.00 C ATOM 930 OD1 ASP A 77 -11.736 -8.332 -3.263 1.00 0.00 O ATOM 931 OD2 ASP A 77 -11.114 -10.020 -4.469 1.00 0.00 O ATOM 0 H ASP A 77 -6.977 -9.168 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.189 -7.925 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.221 -7.693 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.776 -9.367 -4.130 1.00 0.00 H new ATOM 936 N ASN A 78 -8.410 -10.849 -0.898 1.00 0.00 N ATOM 937 CA ASN A 78 -8.779 -11.914 -0.023 1.00 0.00 C ATOM 938 C ASN A 78 -7.680 -12.141 1.000 1.00 0.00 C ATOM 939 O ASN A 78 -6.516 -11.762 0.773 1.00 0.00 O ATOM 940 CB ASN A 78 -9.144 -13.192 -0.761 1.00 0.00 C ATOM 941 CG ASN A 78 -10.114 -13.984 0.071 1.00 0.00 C ATOM 942 OD1 ASN A 78 -9.742 -14.859 0.854 1.00 0.00 O ATOM 943 ND2 ASN A 78 -11.352 -13.626 -0.026 1.00 0.00 N ATOM 0 H ASN A 78 -7.429 -10.838 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.689 -11.615 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.586 -12.954 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.248 -13.782 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.059 -14.072 0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.622 -12.897 -0.686 1.00 0.00 H new ATOM 950 N VAL A 79 -8.048 -12.727 2.121 1.00 0.00 N ATOM 951 CA VAL A 79 -7.161 -12.931 3.250 1.00 0.00 C ATOM 952 C VAL A 79 -6.028 -13.858 2.921 1.00 0.00 C ATOM 953 O VAL A 79 -6.083 -14.583 1.929 1.00 0.00 O ATOM 954 CB VAL A 79 -7.901 -13.459 4.488 1.00 0.00 C ATOM 955 CG1 VAL A 79 -9.011 -12.502 4.882 1.00 0.00 C ATOM 956 CG2 VAL A 79 -8.431 -14.870 4.244 1.00 0.00 C ATOM 0 H VAL A 79 -8.991 -13.082 2.277 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.755 -11.946 3.480 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.199 -13.518 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.528 -12.887 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.585 -11.525 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.718 -12.406 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.951 -15.222 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.122 -14.858 3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.599 -15.538 4.022 1.00 0.00 H new ATOM 966 N ASN A 80 -4.990 -13.814 3.749 1.00 0.00 N ATOM 967 CA ASN A 80 -3.790 -14.643 3.570 1.00 0.00 C ATOM 968 C ASN A 80 -3.124 -14.282 2.263 1.00 0.00 C ATOM 969 O ASN A 80 -2.424 -15.081 1.666 1.00 0.00 O ATOM 970 CB ASN A 80 -4.144 -16.153 3.592 1.00 0.00 C ATOM 971 CG ASN A 80 -4.407 -16.749 4.970 1.00 0.00 C ATOM 972 OD1 ASN A 80 -4.177 -17.943 5.182 1.00 0.00 O ATOM 973 ND2 ASN A 80 -4.880 -15.959 5.910 1.00 0.00 N ATOM 0 H ASN A 80 -4.951 -13.204 4.566 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.106 -14.450 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.028 -16.309 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.328 -16.706 3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.066 -16.330 6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.061 -14.976 5.707 1.00 0.00 H new ATOM 980 N TYR A 81 -3.298 -13.015 1.887 1.00 0.00 N ATOM 981 CA TYR A 81 -2.733 -12.429 0.679 1.00 0.00 C ATOM 982 C TYR A 81 -3.157 -13.212 -0.577 1.00 0.00 C ATOM 983 O TYR A 81 -2.322 -13.582 -1.395 1.00 0.00 O ATOM 984 CB TYR A 81 -1.198 -12.358 0.780 1.00 0.00 C ATOM 985 CG TYR A 81 -0.697 -11.807 2.098 1.00 0.00 C ATOM 986 CD1 TYR A 81 0.192 -12.530 2.868 1.00 0.00 C ATOM 987 CD2 TYR A 81 -1.140 -10.596 2.587 1.00 0.00 C ATOM 988 CE1 TYR A 81 0.623 -12.065 4.082 1.00 0.00 C ATOM 989 CE2 TYR A 81 -0.705 -10.122 3.800 1.00 0.00 C ATOM 990 CZ TYR A 81 0.180 -10.864 4.549 1.00 0.00 C ATOM 991 OH TYR A 81 0.606 -10.407 5.784 1.00 0.00 O ATOM 0 H TYR A 81 -3.851 -12.353 2.431 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.124 -11.416 0.586 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.787 -13.357 0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.818 -11.736 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.555 -13.481 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.839 -10.012 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.314 -12.651 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.057 -9.169 4.166 1.00 0.00 H new ATOM 0 HH TYR A 81 0.199 -9.535 5.968 1.00 0.00 H new ATOM 1001 N THR A 82 -4.442 -13.451 -0.729 1.00 0.00 N ATOM 1002 CA THR A 82 -4.932 -14.195 -1.876 1.00 0.00 C ATOM 1003 C THR A 82 -5.974 -13.378 -2.649 1.00 0.00 C ATOM 1004 O THR A 82 -6.297 -12.234 -2.266 1.00 0.00 O ATOM 1005 CB THR A 82 -5.534 -15.564 -1.460 1.00 0.00 C ATOM 1006 OG1 THR A 82 -6.574 -15.370 -0.503 1.00 0.00 O ATOM 1007 CG2 THR A 82 -4.478 -16.482 -0.871 1.00 0.00 C ATOM 0 H THR A 82 -5.165 -13.144 -0.078 1.00 0.00 H new ATOM 0 HA THR A 82 -4.077 -14.386 -2.524 1.00 0.00 H new ATOM 0 HB THR A 82 -5.936 -16.033 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.191 -15.360 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.936 -17.431 -0.591 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.697 -16.660 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.042 -16.015 0.012 1.00 0.00 H new ATOM 1015 N GLY A 83 -6.459 -13.930 -3.744 1.00 0.00 N ATOM 1016 CA GLY A 83 -7.489 -13.290 -4.515 1.00 0.00 C ATOM 1017 C GLY A 83 -6.918 -12.410 -5.586 1.00 0.00 C ATOM 1018 O GLY A 83 -6.354 -12.891 -6.571 1.00 0.00 O ATOM 0 H GLY A 83 -6.149 -14.828 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.127 -14.048 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.121 -12.696 -3.855 1.00 0.00 H new ATOM 1022 N ARG A 84 -7.031 -11.133 -5.390 1.00 0.00 N ATOM 1023 CA ARG A 84 -6.533 -10.148 -6.329 1.00 0.00 C ATOM 1024 C ARG A 84 -5.412 -9.391 -5.675 1.00 0.00 C ATOM 1025 O ARG A 84 -5.414 -9.248 -4.449 1.00 0.00 O ATOM 1026 CB ARG A 84 -7.649 -9.202 -6.739 1.00 0.00 C ATOM 1027 CG ARG A 84 -8.769 -9.864 -7.509 1.00 0.00 C ATOM 1028 CD ARG A 84 -9.947 -8.937 -7.654 1.00 0.00 C ATOM 1029 NE ARG A 84 -10.987 -9.492 -8.506 1.00 0.00 N ATOM 1030 CZ ARG A 84 -12.242 -9.771 -8.117 1.00 0.00 C ATOM 1031 NH1 ARG A 84 -12.571 -9.790 -6.812 1.00 0.00 N ATOM 1032 NH2 ARG A 84 -13.145 -10.109 -9.026 1.00 0.00 N ATOM 0 H ARG A 84 -7.476 -10.729 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.166 -10.642 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.063 -8.737 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.227 -8.402 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.411 -10.160 -8.495 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.079 -10.774 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.363 -8.725 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.610 -7.987 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.744 -9.685 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.863 -9.591 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.528 -10.003 -6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.884 -10.155 -10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.101 -10.323 -8.741 1.00 0.00 H new ATOM 1046 N ILE A 85 -4.488 -8.893 -6.466 1.00 0.00 N ATOM 1047 CA ILE A 85 -3.302 -8.251 -5.939 1.00 0.00 C ATOM 1048 C ILE A 85 -3.094 -6.864 -6.575 1.00 0.00 C ATOM 1049 O ILE A 85 -3.417 -6.641 -7.752 1.00 0.00 O ATOM 1050 CB ILE A 85 -2.047 -9.151 -6.179 1.00 0.00 C ATOM 1051 CG1 ILE A 85 -0.818 -8.601 -5.469 1.00 0.00 C ATOM 1052 CG2 ILE A 85 -1.748 -9.263 -7.659 1.00 0.00 C ATOM 1053 CD1 ILE A 85 0.409 -9.492 -5.601 1.00 0.00 C ATOM 0 H ILE A 85 -4.535 -8.920 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.439 -8.114 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.277 -10.135 -5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.586 -7.615 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.048 -8.467 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.871 -9.893 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.603 -9.705 -8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.554 -8.271 -8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.247 -9.038 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.196 -10.471 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.665 -9.605 -6.655 1.00 0.00 H new ATOM 1065 N THR A 86 -2.689 -5.932 -5.767 1.00 0.00 N ATOM 1066 CA THR A 86 -2.333 -4.600 -6.205 1.00 0.00 C ATOM 1067 C THR A 86 -0.991 -4.174 -5.590 1.00 0.00 C ATOM 1068 O THR A 86 -0.831 -4.250 -4.383 1.00 0.00 O ATOM 1069 CB THR A 86 -3.469 -3.614 -5.880 1.00 0.00 C ATOM 1070 OG1 THR A 86 -4.595 -3.915 -6.705 1.00 0.00 O ATOM 1071 CG2 THR A 86 -3.064 -2.173 -6.072 1.00 0.00 C ATOM 0 H THR A 86 -2.592 -6.071 -4.761 1.00 0.00 H new ATOM 0 HA THR A 86 -2.202 -4.597 -7.287 1.00 0.00 H new ATOM 0 HB THR A 86 -3.720 -3.733 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.244 -4.441 -6.193 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.905 -1.523 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.224 -1.941 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.771 -2.013 -7.109 1.00 0.00 H new ATOM 1079 N GLY A 87 -0.040 -3.778 -6.411 1.00 0.00 N ATOM 1080 CA GLY A 87 1.257 -3.386 -5.908 1.00 0.00 C ATOM 1081 C GLY A 87 1.599 -1.922 -6.132 1.00 0.00 C ATOM 1082 O GLY A 87 1.949 -1.513 -7.250 1.00 0.00 O ATOM 0 H GLY A 87 -0.141 -3.720 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.298 -3.597 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.020 -4.002 -6.384 1.00 0.00 H new ATOM 1086 N LEU A 88 1.574 -1.156 -5.070 1.00 0.00 N ATOM 1087 CA LEU A 88 1.851 0.275 -5.115 1.00 0.00 C ATOM 1088 C LEU A 88 3.208 0.594 -4.533 1.00 0.00 C ATOM 1089 O LEU A 88 3.658 -0.059 -3.587 1.00 0.00 O ATOM 1090 CB LEU A 88 0.753 1.053 -4.378 1.00 0.00 C ATOM 1091 CG LEU A 88 -0.379 1.636 -5.235 1.00 0.00 C ATOM 1092 CD1 LEU A 88 0.105 2.861 -5.972 1.00 0.00 C ATOM 1093 CD2 LEU A 88 -0.890 0.614 -6.234 1.00 0.00 C ATOM 0 H LEU A 88 1.359 -1.503 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 88 1.859 0.582 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.309 0.391 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.224 1.872 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.197 1.910 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.706 3.266 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.432 3.612 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.939 2.590 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.691 1.054 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.076 0.310 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.270 -0.257 -5.701 1.00 0.00 H new ATOM 1105 N GLY A 89 3.855 1.588 -5.090 1.00 0.00 N ATOM 1106 CA GLY A 89 5.155 1.968 -4.632 1.00 0.00 C ATOM 1107 C GLY A 89 5.224 3.410 -4.216 1.00 0.00 C ATOM 1108 O GLY A 89 4.265 4.172 -4.425 1.00 0.00 O ATOM 0 H GLY A 89 3.495 2.146 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.438 1.337 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.882 1.787 -5.424 1.00 0.00 H new ATOM 1112 N HIS A 90 6.359 3.780 -3.641 1.00 0.00 N ATOM 1113 CA HIS A 90 6.620 5.127 -3.118 1.00 0.00 C ATOM 1114 C HIS A 90 6.291 6.228 -4.128 1.00 0.00 C ATOM 1115 O HIS A 90 6.696 6.167 -5.293 1.00 0.00 O ATOM 1116 CB HIS A 90 8.100 5.268 -2.631 1.00 0.00 C ATOM 1117 CG HIS A 90 9.160 5.079 -3.707 1.00 0.00 C ATOM 1118 ND1 HIS A 90 10.039 6.068 -4.135 1.00 0.00 N ATOM 1119 CD2 HIS A 90 9.474 3.980 -4.432 1.00 0.00 C ATOM 1120 CE1 HIS A 90 10.821 5.546 -5.079 1.00 0.00 C ATOM 1121 NE2 HIS A 90 10.523 4.281 -5.294 1.00 0.00 N ATOM 0 H HIS A 90 7.146 3.143 -3.519 1.00 0.00 H new ATOM 0 HA HIS A 90 5.952 5.257 -2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 90 8.227 6.256 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.276 4.540 -1.839 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.078 7.026 -3.787 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.986 3.020 -4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.597 6.088 -5.599 1.00 0.00 H new ATOM 1129 N GLY A 91 5.503 7.178 -3.691 1.00 0.00 N ATOM 1130 CA GLY A 91 5.191 8.338 -4.491 1.00 0.00 C ATOM 1131 C GLY A 91 4.089 8.092 -5.493 1.00 0.00 C ATOM 1132 O GLY A 91 3.702 8.997 -6.233 1.00 0.00 O ATOM 0 H GLY A 91 5.060 7.170 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.899 9.157 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.089 8.659 -5.020 1.00 0.00 H new ATOM 1136 N THR A 92 3.570 6.903 -5.520 1.00 0.00 N ATOM 1137 CA THR A 92 2.565 6.581 -6.471 1.00 0.00 C ATOM 1138 C THR A 92 1.227 6.384 -5.755 1.00 0.00 C ATOM 1139 O THR A 92 1.184 5.892 -4.610 1.00 0.00 O ATOM 1140 CB THR A 92 2.971 5.302 -7.219 1.00 0.00 C ATOM 1141 OG1 THR A 92 4.355 5.425 -7.624 1.00 0.00 O ATOM 1142 CG2 THR A 92 2.112 5.104 -8.461 1.00 0.00 C ATOM 0 H THR A 92 3.830 6.143 -4.892 1.00 0.00 H new ATOM 0 HA THR A 92 2.457 7.393 -7.190 1.00 0.00 H new ATOM 0 HB THR A 92 2.832 4.446 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.629 4.614 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.418 4.192 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.065 5.022 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.237 5.956 -9.130 1.00 0.00 H new ATOM 1150 N CYS A 93 0.155 6.760 -6.410 1.00 0.00 N ATOM 1151 CA CYS A 93 -1.162 6.624 -5.842 1.00 0.00 C ATOM 1152 C CYS A 93 -2.095 6.076 -6.914 1.00 0.00 C ATOM 1153 O CYS A 93 -1.827 6.224 -8.109 1.00 0.00 O ATOM 1154 CB CYS A 93 -1.722 7.978 -5.401 1.00 0.00 C ATOM 1155 SG CYS A 93 -0.551 9.180 -4.630 1.00 0.00 S ATOM 0 H CYS A 93 0.171 7.166 -7.346 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.093 5.963 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.168 8.456 -6.273 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.528 7.793 -4.691 1.00 0.00 H new ATOM 1160 N ILE A 94 -3.164 5.458 -6.494 1.00 0.00 N ATOM 1161 CA ILE A 94 -4.177 4.941 -7.398 1.00 0.00 C ATOM 1162 C ILE A 94 -5.238 6.009 -7.565 1.00 0.00 C ATOM 1163 O ILE A 94 -5.635 6.633 -6.576 1.00 0.00 O ATOM 1164 CB ILE A 94 -4.854 3.679 -6.809 1.00 0.00 C ATOM 1165 CG1 ILE A 94 -3.798 2.655 -6.446 1.00 0.00 C ATOM 1166 CG2 ILE A 94 -5.856 3.076 -7.804 1.00 0.00 C ATOM 1167 CD1 ILE A 94 -4.350 1.400 -5.811 1.00 0.00 C ATOM 0 H ILE A 94 -3.367 5.293 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.709 4.679 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.402 3.967 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.247 2.382 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.084 3.112 -5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.317 2.191 -7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.628 3.811 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.336 2.797 -8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.531 0.718 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.876 1.658 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.042 0.917 -6.501 1.00 0.00 H new ATOM 1179 N ASP A 95 -5.671 6.232 -8.786 1.00 0.00 N ATOM 1180 CA ASP A 95 -6.702 7.236 -9.067 1.00 0.00 C ATOM 1181 C ASP A 95 -8.047 6.775 -8.540 1.00 0.00 C ATOM 1182 O ASP A 95 -8.727 7.487 -7.807 1.00 0.00 O ATOM 1183 CB ASP A 95 -6.837 7.485 -10.582 1.00 0.00 C ATOM 1184 CG ASP A 95 -5.624 8.118 -11.226 1.00 0.00 C ATOM 1185 OD1 ASP A 95 -5.511 9.356 -11.225 1.00 0.00 O ATOM 1186 OD2 ASP A 95 -4.773 7.392 -11.763 1.00 0.00 O ATOM 0 H ASP A 95 -5.331 5.736 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.399 8.159 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.041 6.535 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.701 8.126 -10.756 1.00 0.00 H new ATOM 1191 N ASP A 96 -8.394 5.555 -8.854 1.00 0.00 N ATOM 1192 CA ASP A 96 -9.654 4.987 -8.461 1.00 0.00 C ATOM 1193 C ASP A 96 -9.454 3.540 -8.131 1.00 0.00 C ATOM 1194 O ASP A 96 -9.387 2.702 -9.028 1.00 0.00 O ATOM 1195 CB ASP A 96 -10.690 5.017 -9.576 1.00 0.00 C ATOM 1196 CG ASP A 96 -11.142 6.361 -10.096 1.00 0.00 C ATOM 1197 OD1 ASP A 96 -10.370 7.045 -10.786 1.00 0.00 O ATOM 1198 OD2 ASP A 96 -12.333 6.701 -9.908 1.00 0.00 O ATOM 0 H ASP A 96 -7.804 4.923 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.008 5.579 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.289 4.452 -10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.572 4.482 -9.225 1.00 0.00 H new ATOM 1203 N PHE A 97 -9.340 3.233 -6.877 1.00 0.00 N ATOM 1204 CA PHE A 97 -9.150 1.864 -6.453 1.00 0.00 C ATOM 1205 C PHE A 97 -10.374 1.015 -6.794 1.00 0.00 C ATOM 1206 O PHE A 97 -10.257 -0.101 -7.272 1.00 0.00 O ATOM 1207 CB PHE A 97 -8.833 1.797 -4.959 1.00 0.00 C ATOM 1208 CG PHE A 97 -8.526 0.418 -4.495 1.00 0.00 C ATOM 1209 CD1 PHE A 97 -7.381 -0.214 -4.930 1.00 0.00 C ATOM 1210 CD2 PHE A 97 -9.374 -0.250 -3.635 1.00 0.00 C ATOM 1211 CE1 PHE A 97 -7.081 -1.484 -4.524 1.00 0.00 C ATOM 1212 CE2 PHE A 97 -9.076 -1.523 -3.224 1.00 0.00 C ATOM 1213 CZ PHE A 97 -7.928 -2.139 -3.672 1.00 0.00 C ATOM 0 H PHE A 97 -9.374 3.912 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.297 1.455 -6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.984 2.445 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.681 2.185 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.711 0.302 -5.602 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -10.275 0.232 -3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.181 -1.968 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.740 -2.043 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 97 -7.696 -3.143 -3.349 1.00 0.00 H new ATOM 1223 N THR A 98 -11.536 1.611 -6.635 1.00 0.00 N ATOM 1224 CA THR A 98 -12.806 0.921 -6.814 1.00 0.00 C ATOM 1225 C THR A 98 -13.027 0.485 -8.293 1.00 0.00 C ATOM 1226 O THR A 98 -13.784 -0.446 -8.578 1.00 0.00 O ATOM 1227 CB THR A 98 -13.987 1.814 -6.294 1.00 0.00 C ATOM 1228 OG1 THR A 98 -15.230 1.114 -6.337 1.00 0.00 O ATOM 1229 CG2 THR A 98 -14.106 3.103 -7.096 1.00 0.00 C ATOM 0 H THR A 98 -11.632 2.593 -6.377 1.00 0.00 H new ATOM 0 HA THR A 98 -12.779 0.007 -6.221 1.00 0.00 H new ATOM 0 HB THR A 98 -13.758 2.063 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.945 1.696 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 98 -14.934 3.697 -6.709 1.00 0.00 H new ATOM 0 HG22 THR A 98 -13.180 3.672 -7.010 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.290 2.864 -8.144 1.00 0.00 H new ATOM 1237 N LYS A 99 -12.323 1.132 -9.217 1.00 0.00 N ATOM 1238 CA LYS A 99 -12.449 0.824 -10.632 1.00 0.00 C ATOM 1239 C LYS A 99 -11.395 -0.211 -11.037 1.00 0.00 C ATOM 1240 O LYS A 99 -11.430 -0.735 -12.139 1.00 0.00 O ATOM 1241 CB LYS A 99 -12.230 2.093 -11.463 1.00 0.00 C ATOM 1242 CG LYS A 99 -13.015 3.311 -10.995 1.00 0.00 C ATOM 1243 CD LYS A 99 -14.492 3.214 -11.197 1.00 0.00 C ATOM 1244 CE LYS A 99 -15.197 4.442 -10.594 1.00 0.00 C ATOM 1245 NZ LYS A 99 -14.633 5.741 -11.059 1.00 0.00 N ATOM 0 H LYS A 99 -11.657 1.876 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.448 0.428 -10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.168 2.338 -11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.498 1.882 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.816 3.470 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.646 4.190 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.716 3.144 -12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.870 2.304 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.256 4.404 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.128 4.393 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.354 6.485 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.805 5.988 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.346 5.658 -12.055 1.00 0.00 H new ATOM 1259 N SER A 100 -10.475 -0.523 -10.128 1.00 0.00 N ATOM 1260 CA SER A 100 -9.373 -1.430 -10.425 1.00 0.00 C ATOM 1261 C SER A 100 -9.798 -2.910 -10.266 1.00 0.00 C ATOM 1262 O SER A 100 -8.962 -3.835 -10.360 1.00 0.00 O ATOM 1263 CB SER A 100 -8.151 -1.088 -9.536 1.00 0.00 C ATOM 1264 OG SER A 100 -6.998 -1.843 -9.893 1.00 0.00 O ATOM 0 H SER A 100 -10.472 -0.158 -9.175 1.00 0.00 H new ATOM 0 HA SER A 100 -9.087 -1.296 -11.468 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.928 -0.025 -9.622 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.399 -1.278 -8.492 1.00 0.00 H new ATOM 0 HG SER A 100 -7.275 -2.699 -10.282 1.00 0.00 H new ATOM 1270 N GLY A 101 -11.072 -3.132 -10.047 1.00 0.00 N ATOM 1271 CA GLY A 101 -11.580 -4.470 -9.935 1.00 0.00 C ATOM 1272 C GLY A 101 -12.117 -4.737 -8.567 1.00 0.00 C ATOM 1273 O GLY A 101 -13.303 -5.008 -8.393 1.00 0.00 O ATOM 0 H GLY A 101 -11.774 -2.399 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.367 -4.625 -10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.786 -5.182 -10.161 1.00 0.00 H new ATOM 1277 N PHE A 102 -11.260 -4.667 -7.592 1.00 0.00 N ATOM 1278 CA PHE A 102 -11.668 -4.892 -6.243 1.00 0.00 C ATOM 1279 C PHE A 102 -11.604 -3.616 -5.466 1.00 0.00 C ATOM 1280 O PHE A 102 -10.728 -2.794 -5.704 1.00 0.00 O ATOM 1281 CB PHE A 102 -10.858 -6.011 -5.580 1.00 0.00 C ATOM 1282 CG PHE A 102 -9.379 -5.783 -5.367 1.00 0.00 C ATOM 1283 CD1 PHE A 102 -8.482 -5.848 -6.417 1.00 0.00 C ATOM 1284 CD2 PHE A 102 -8.885 -5.581 -4.087 1.00 0.00 C ATOM 1285 CE1 PHE A 102 -7.129 -5.715 -6.193 1.00 0.00 C ATOM 1286 CE2 PHE A 102 -7.536 -5.444 -3.861 1.00 0.00 C ATOM 1287 CZ PHE A 102 -6.657 -5.515 -4.912 1.00 0.00 C ATOM 0 H PHE A 102 -10.269 -4.454 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 102 -12.704 -5.231 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -11.307 -6.219 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -10.974 -6.911 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.845 -6.004 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -9.571 -5.531 -3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.437 -5.767 -7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.169 -5.281 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.596 -5.414 -4.737 1.00 0.00 H new ATOM 1297 N LYS A 103 -12.549 -3.422 -4.584 1.00 0.00 N ATOM 1298 CA LYS A 103 -12.558 -2.230 -3.767 1.00 0.00 C ATOM 1299 C LYS A 103 -12.328 -2.619 -2.304 1.00 0.00 C ATOM 1300 O LYS A 103 -12.159 -1.773 -1.440 1.00 0.00 O ATOM 1301 CB LYS A 103 -13.893 -1.442 -3.923 1.00 0.00 C ATOM 1302 CG LYS A 103 -15.051 -1.870 -2.999 1.00 0.00 C ATOM 1303 CD LYS A 103 -15.510 -3.306 -3.193 1.00 0.00 C ATOM 1304 CE LYS A 103 -16.494 -3.680 -2.102 1.00 0.00 C ATOM 1305 NZ LYS A 103 -16.984 -5.068 -2.222 1.00 0.00 N ATOM 0 H LYS A 103 -13.319 -4.068 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.755 -1.573 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.689 -0.386 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.227 -1.536 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.741 -1.737 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.898 -1.205 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.977 -3.420 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.652 -3.978 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.018 -3.551 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -17.342 -2.996 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.653 -5.268 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.464 -5.189 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.181 -5.726 -2.163 1.00 0.00 H new ATOM 1319 N GLY A 104 -12.343 -3.912 -2.052 1.00 0.00 N ATOM 1320 CA GLY A 104 -12.251 -4.404 -0.721 1.00 0.00 C ATOM 1321 C GLY A 104 -10.971 -5.128 -0.482 1.00 0.00 C ATOM 1322 O GLY A 104 -10.738 -6.194 -1.046 1.00 0.00 O ATOM 0 H GLY A 104 -12.419 -4.635 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.334 -3.573 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -13.089 -5.073 -0.523 1.00 0.00 H new ATOM 1326 N ILE A 105 -10.147 -4.577 0.338 1.00 0.00 N ATOM 1327 CA ILE A 105 -8.888 -5.194 0.649 1.00 0.00 C ATOM 1328 C ILE A 105 -9.065 -5.982 1.896 1.00 0.00 C ATOM 1329 O ILE A 105 -9.403 -5.468 2.959 1.00 0.00 O ATOM 1330 CB ILE A 105 -7.785 -4.122 0.833 1.00 0.00 C ATOM 1331 CG1 ILE A 105 -7.657 -3.297 -0.429 1.00 0.00 C ATOM 1332 CG2 ILE A 105 -6.456 -4.754 1.174 1.00 0.00 C ATOM 1333 CD1 ILE A 105 -6.866 -2.038 -0.238 1.00 0.00 C ATOM 0 H ILE A 105 -10.317 -3.691 0.814 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.576 -5.845 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.073 -3.477 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.184 -3.901 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.653 -3.041 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.703 -3.975 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.549 -5.318 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.155 -5.426 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.813 -1.495 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.351 -1.414 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.858 -2.288 0.093 1.00 0.00 H new ATOM 1345 N SER A 106 -8.912 -7.210 1.706 1.00 0.00 N ATOM 1346 CA SER A 106 -8.977 -8.194 2.682 1.00 0.00 C ATOM 1347 C SER A 106 -7.650 -8.410 3.415 1.00 0.00 C ATOM 1348 O SER A 106 -7.630 -8.898 4.541 1.00 0.00 O ATOM 1349 CB SER A 106 -9.458 -9.416 2.010 1.00 0.00 C ATOM 1350 OG SER A 106 -10.813 -9.311 1.631 1.00 0.00 O ATOM 0 H SER A 106 -8.720 -7.592 0.780 1.00 0.00 H new ATOM 0 HA SER A 106 -9.661 -7.891 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.848 -9.608 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.333 -10.270 2.676 1.00 0.00 H new ATOM 0 HG SER A 106 -10.923 -9.643 0.716 1.00 0.00 H new ATOM 1356 N SER A 107 -6.545 -8.111 2.758 1.00 0.00 N ATOM 1357 CA SER A 107 -5.221 -8.315 3.327 1.00 0.00 C ATOM 1358 C SER A 107 -4.196 -7.392 2.663 1.00 0.00 C ATOM 1359 O SER A 107 -4.375 -7.006 1.521 1.00 0.00 O ATOM 1360 CB SER A 107 -4.821 -9.789 3.188 1.00 0.00 C ATOM 1361 OG SER A 107 -5.633 -10.594 3.993 1.00 0.00 O ATOM 0 H SER A 107 -6.537 -7.720 1.816 1.00 0.00 H new ATOM 0 HA SER A 107 -5.245 -8.063 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.909 -10.099 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.776 -9.917 3.472 1.00 0.00 H new ATOM 0 HG SER A 107 -6.230 -10.028 4.525 1.00 0.00 H new ATOM 1367 N ILE A 108 -3.141 -7.036 3.381 1.00 0.00 N ATOM 1368 CA ILE A 108 -2.134 -6.099 2.887 1.00 0.00 C ATOM 1369 C ILE A 108 -0.750 -6.640 3.204 1.00 0.00 C ATOM 1370 O ILE A 108 -0.486 -6.997 4.339 1.00 0.00 O ATOM 1371 CB ILE A 108 -2.273 -4.691 3.559 1.00 0.00 C ATOM 1372 CG1 ILE A 108 -3.692 -4.146 3.397 1.00 0.00 C ATOM 1373 CG2 ILE A 108 -1.259 -3.723 2.985 1.00 0.00 C ATOM 1374 CD1 ILE A 108 -3.887 -2.781 3.978 1.00 0.00 C ATOM 0 H ILE A 108 -2.956 -7.386 4.321 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.281 -5.991 1.812 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.075 -4.804 4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.941 -4.118 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.392 -4.835 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.372 -2.751 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -0.253 -4.101 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.422 -3.619 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.918 -2.464 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.671 -2.806 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.214 -2.078 3.488 1.00 0.00 H new ATOM 1386 N LYS A 109 0.129 -6.682 2.236 1.00 0.00 N ATOM 1387 CA LYS A 109 1.465 -7.198 2.461 1.00 0.00 C ATOM 1388 C LYS A 109 2.456 -6.063 2.206 1.00 0.00 C ATOM 1389 O LYS A 109 2.353 -5.364 1.201 1.00 0.00 O ATOM 1390 CB LYS A 109 1.759 -8.391 1.527 1.00 0.00 C ATOM 1391 CG LYS A 109 2.954 -9.250 1.954 1.00 0.00 C ATOM 1392 CD LYS A 109 3.374 -10.273 0.870 1.00 0.00 C ATOM 1393 CE LYS A 109 2.263 -11.219 0.470 1.00 0.00 C ATOM 1394 NZ LYS A 109 2.646 -12.106 -0.658 1.00 0.00 N ATOM 0 H LYS A 109 -0.051 -6.366 1.283 1.00 0.00 H new ATOM 0 HA LYS A 109 1.556 -7.558 3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.873 -9.023 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.940 -8.013 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.800 -8.601 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.704 -9.782 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.717 -9.734 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.220 -10.854 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.984 -11.830 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.382 -10.641 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.850 -12.733 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.887 -11.528 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.470 -12.679 -0.385 1.00 0.00 H new ATOM 1408 N ARG A 110 3.375 -5.857 3.119 1.00 0.00 N ATOM 1409 CA ARG A 110 4.330 -4.773 2.997 1.00 0.00 C ATOM 1410 C ARG A 110 5.654 -5.326 2.510 1.00 0.00 C ATOM 1411 O ARG A 110 6.247 -6.201 3.160 1.00 0.00 O ATOM 1412 CB ARG A 110 4.539 -4.076 4.345 1.00 0.00 C ATOM 1413 CG ARG A 110 5.355 -2.787 4.253 1.00 0.00 C ATOM 1414 CD ARG A 110 5.668 -2.186 5.630 1.00 0.00 C ATOM 1415 NE ARG A 110 6.670 -2.958 6.375 1.00 0.00 N ATOM 1416 CZ ARG A 110 7.085 -2.693 7.631 1.00 0.00 C ATOM 1417 NH1 ARG A 110 6.443 -1.799 8.393 1.00 0.00 N ATOM 1418 NH2 ARG A 110 8.105 -3.368 8.142 1.00 0.00 N ATOM 0 H ARG A 110 3.485 -6.426 3.958 1.00 0.00 H new ATOM 0 HA ARG A 110 3.941 -4.045 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.566 -3.849 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.040 -4.764 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.289 -2.989 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.807 -2.056 3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.025 -1.164 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.750 -2.132 6.215 1.00 0.00 H new ATOM 0 HE ARG A 110 7.087 -3.761 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.628 -1.308 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.769 -1.609 9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.572 -4.084 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 110 8.422 -3.171 9.091 1.00 0.00 H new ATOM 1432 N CYS A 111 6.126 -4.807 1.425 1.00 0.00 N ATOM 1433 CA CYS A 111 7.330 -5.266 0.824 1.00 0.00 C ATOM 1434 C CYS A 111 8.331 -4.121 0.772 1.00 0.00 C ATOM 1435 O CYS A 111 8.001 -2.964 1.082 1.00 0.00 O ATOM 1436 CB CYS A 111 7.021 -5.776 -0.583 1.00 0.00 C ATOM 1437 SG CYS A 111 5.651 -6.994 -0.673 1.00 0.00 S ATOM 0 H CYS A 111 5.677 -4.040 0.925 1.00 0.00 H new ATOM 0 HA CYS A 111 7.759 -6.080 1.408 1.00 0.00 H new ATOM 0 HB2 CYS A 111 6.774 -4.925 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.921 -6.231 -0.996 1.00 0.00 H new ATOM 1442 N ILE A 112 9.530 -4.434 0.414 1.00 0.00 N ATOM 1443 CA ILE A 112 10.587 -3.470 0.315 1.00 0.00 C ATOM 1444 C ILE A 112 11.259 -3.599 -1.026 1.00 0.00 C ATOM 1445 O ILE A 112 11.354 -4.689 -1.567 1.00 0.00 O ATOM 1446 CB ILE A 112 11.644 -3.668 1.421 1.00 0.00 C ATOM 1447 CG1 ILE A 112 11.990 -5.153 1.556 1.00 0.00 C ATOM 1448 CG2 ILE A 112 11.155 -3.096 2.748 1.00 0.00 C ATOM 1449 CD1 ILE A 112 13.259 -5.417 2.300 1.00 0.00 C ATOM 0 H ILE A 112 9.814 -5.384 0.176 1.00 0.00 H new ATOM 0 HA ILE A 112 10.146 -2.480 0.432 1.00 0.00 H new ATOM 0 HB ILE A 112 12.548 -3.127 1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.171 -5.662 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 112 12.067 -5.589 0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.917 -3.247 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.961 -2.029 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.237 -3.602 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 112 13.433 -6.492 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.091 -4.939 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.180 -5.013 3.309 1.00 0.00 H new ATOM 1461 N GLN A 113 11.702 -2.516 -1.555 1.00 0.00 N ATOM 1462 CA GLN A 113 12.363 -2.524 -2.822 1.00 0.00 C ATOM 1463 C GLN A 113 13.774 -2.035 -2.611 1.00 0.00 C ATOM 1464 O GLN A 113 13.984 -0.903 -2.184 1.00 0.00 O ATOM 1465 CB GLN A 113 11.600 -1.652 -3.817 1.00 0.00 C ATOM 1466 CG GLN A 113 12.070 -1.794 -5.248 1.00 0.00 C ATOM 1467 CD GLN A 113 11.173 -1.072 -6.228 1.00 0.00 C ATOM 1468 OE1 GLN A 113 10.581 -0.035 -5.916 1.00 0.00 O ATOM 1469 NE2 GLN A 113 11.041 -1.620 -7.402 1.00 0.00 N ATOM 0 H GLN A 113 11.619 -1.594 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 113 12.393 -3.530 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.541 -1.904 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 113 11.694 -0.608 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 113 13.084 -1.404 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.112 -2.851 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.546 -2.478 -7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.432 -1.192 -8.099 1.00 0.00 H new ATOM 1478 N THR A 114 14.732 -2.880 -2.903 1.00 0.00 N ATOM 1479 CA THR A 114 16.117 -2.585 -2.613 1.00 0.00 C ATOM 1480 C THR A 114 16.689 -1.634 -3.669 1.00 0.00 C ATOM 1481 O THR A 114 15.989 -1.248 -4.620 1.00 0.00 O ATOM 1482 CB THR A 114 16.975 -3.892 -2.558 1.00 0.00 C ATOM 1483 OG1 THR A 114 17.203 -4.395 -3.888 1.00 0.00 O ATOM 1484 CG2 THR A 114 16.254 -4.982 -1.768 1.00 0.00 C ATOM 0 H THR A 114 14.577 -3.786 -3.345 1.00 0.00 H new ATOM 0 HA THR A 114 16.159 -2.106 -1.635 1.00 0.00 H new ATOM 0 HB THR A 114 17.920 -3.643 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.166 -4.419 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.870 -5.881 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.076 -4.636 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.301 -5.208 -2.246 1.00 0.00 H new ATOM 1492 N LYS A 115 17.955 -1.273 -3.521 1.00 0.00 N ATOM 1493 CA LYS A 115 18.654 -0.391 -4.466 1.00 0.00 C ATOM 1494 C LYS A 115 18.651 -0.997 -5.867 1.00 0.00 C ATOM 1495 O LYS A 115 18.634 -0.294 -6.872 1.00 0.00 O ATOM 1496 CB LYS A 115 20.095 -0.203 -4.007 1.00 0.00 C ATOM 1497 CG LYS A 115 20.936 0.713 -4.885 1.00 0.00 C ATOM 1498 CD LYS A 115 20.415 2.138 -4.888 1.00 0.00 C ATOM 1499 CE LYS A 115 20.539 2.799 -3.519 1.00 0.00 C ATOM 1500 NZ LYS A 115 20.025 4.181 -3.516 1.00 0.00 N ATOM 0 H LYS A 115 18.536 -1.581 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 115 18.140 0.570 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 115 20.088 0.197 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 115 20.576 -1.180 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 115 21.967 0.705 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 115 20.945 0.329 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.967 2.723 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.370 2.140 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.993 2.209 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 115 21.585 2.802 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.130 4.589 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 20.562 4.753 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.020 4.178 -3.782 1.00 0.00 H new ATOM 1514 N ASP A 116 18.601 -2.302 -5.899 1.00 0.00 N ATOM 1515 CA ASP A 116 18.654 -3.077 -7.127 1.00 0.00 C ATOM 1516 C ASP A 116 17.300 -3.026 -7.833 1.00 0.00 C ATOM 1517 O ASP A 116 17.152 -3.492 -8.963 1.00 0.00 O ATOM 1518 CB ASP A 116 18.888 -4.534 -6.769 1.00 0.00 C ATOM 1519 CG ASP A 116 19.982 -4.776 -5.776 1.00 0.00 C ATOM 1520 OD1 ASP A 116 19.716 -4.629 -4.558 1.00 0.00 O ATOM 1521 OD2 ASP A 116 21.087 -5.158 -6.161 1.00 0.00 O ATOM 0 H ASP A 116 18.521 -2.875 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 116 19.443 -2.674 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 116 17.961 -4.948 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 116 19.119 -5.084 -7.682 1.00 0.00 H new ATOM 1526 N GLY A 117 16.314 -2.464 -7.168 1.00 0.00 N ATOM 1527 CA GLY A 117 14.994 -2.379 -7.728 1.00 0.00 C ATOM 1528 C GLY A 117 14.192 -3.649 -7.518 1.00 0.00 C ATOM 1529 O GLY A 117 13.083 -3.780 -8.040 1.00 0.00 O ATOM 0 H GLY A 117 16.408 -2.060 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.465 -1.540 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.068 -2.172 -8.796 1.00 0.00 H new ATOM 1533 N LYS A 118 14.735 -4.585 -6.750 1.00 0.00 N ATOM 1534 CA LYS A 118 14.033 -5.826 -6.497 1.00 0.00 C ATOM 1535 C LYS A 118 13.136 -5.655 -5.298 1.00 0.00 C ATOM 1536 O LYS A 118 13.516 -4.996 -4.322 1.00 0.00 O ATOM 1537 CB LYS A 118 14.989 -7.026 -6.303 1.00 0.00 C ATOM 1538 CG LYS A 118 15.881 -6.986 -5.075 1.00 0.00 C ATOM 1539 CD LYS A 118 16.718 -8.258 -4.973 1.00 0.00 C ATOM 1540 CE LYS A 118 17.562 -8.302 -3.702 1.00 0.00 C ATOM 1541 NZ LYS A 118 18.570 -7.221 -3.654 1.00 0.00 N ATOM 0 H LYS A 118 15.647 -4.506 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 118 13.434 -6.056 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.391 -7.936 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 118 15.625 -7.102 -7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.537 -6.117 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 118 15.270 -6.874 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.059 -9.126 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 118 17.372 -8.329 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 118 16.909 -8.224 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 118 18.065 -9.267 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 19.139 -7.315 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 19.191 -7.288 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 18.090 -6.298 -3.654 1.00 0.00 H new ATOM 1555 N VAL A 119 11.955 -6.201 -5.377 1.00 0.00 N ATOM 1556 CA VAL A 119 11.000 -6.070 -4.312 1.00 0.00 C ATOM 1557 C VAL A 119 10.955 -7.369 -3.526 1.00 0.00 C ATOM 1558 O VAL A 119 10.525 -8.416 -4.035 1.00 0.00 O ATOM 1559 CB VAL A 119 9.575 -5.711 -4.823 1.00 0.00 C ATOM 1560 CG1 VAL A 119 8.648 -5.362 -3.664 1.00 0.00 C ATOM 1561 CG2 VAL A 119 9.613 -4.570 -5.825 1.00 0.00 C ATOM 0 H VAL A 119 11.628 -6.746 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 119 11.323 -5.246 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 119 9.183 -6.594 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.659 -5.115 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.572 -6.215 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 119 9.050 -4.506 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 119 8.600 -4.346 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 119 10.043 -3.686 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 119 10.223 -4.858 -6.681 1.00 0.00 H new ATOM 1571 N GLU A 120 11.407 -7.295 -2.322 1.00 0.00 N ATOM 1572 CA GLU A 120 11.458 -8.414 -1.427 1.00 0.00 C ATOM 1573 C GLU A 120 10.312 -8.266 -0.456 1.00 0.00 C ATOM 1574 O GLU A 120 9.944 -7.138 -0.108 1.00 0.00 O ATOM 1575 CB GLU A 120 12.780 -8.397 -0.666 1.00 0.00 C ATOM 1576 CG GLU A 120 14.012 -8.451 -1.556 1.00 0.00 C ATOM 1577 CD GLU A 120 14.074 -9.713 -2.371 1.00 0.00 C ATOM 1578 OE1 GLU A 120 14.249 -10.800 -1.783 1.00 0.00 O ATOM 1579 OE2 GLU A 120 13.974 -9.653 -3.602 1.00 0.00 O ATOM 0 H GLU A 120 11.764 -6.431 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 120 11.382 -9.354 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.824 -7.494 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 120 12.803 -9.244 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.013 -7.590 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.907 -8.376 -0.938 1.00 0.00 H new ATOM 1586 N CYS A 121 9.731 -9.345 -0.028 1.00 0.00 N ATOM 1587 CA CYS A 121 8.632 -9.235 0.881 1.00 0.00 C ATOM 1588 C CYS A 121 8.746 -10.283 1.935 1.00 0.00 C ATOM 1589 O CYS A 121 9.310 -11.358 1.695 1.00 0.00 O ATOM 1590 CB CYS A 121 7.317 -9.378 0.148 1.00 0.00 C ATOM 1591 SG CYS A 121 6.022 -8.318 0.818 1.00 0.00 S ATOM 0 H CYS A 121 9.993 -10.296 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 121 8.660 -8.250 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 121 7.466 -9.140 -0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.991 -10.417 0.197 1.00 0.00 H new ATOM 1596 N ILE A 122 8.267 -9.981 3.103 1.00 0.00 N ATOM 1597 CA ILE A 122 8.309 -10.923 4.165 1.00 0.00 C ATOM 1598 C ILE A 122 6.930 -11.138 4.772 1.00 0.00 C ATOM 1599 O ILE A 122 6.225 -10.181 5.100 1.00 0.00 O ATOM 1600 CB ILE A 122 9.386 -10.563 5.254 1.00 0.00 C ATOM 1601 CG1 ILE A 122 9.381 -11.565 6.429 1.00 0.00 C ATOM 1602 CG2 ILE A 122 9.224 -9.130 5.758 1.00 0.00 C ATOM 1603 CD1 ILE A 122 9.719 -12.993 6.035 1.00 0.00 C ATOM 0 H ILE A 122 7.842 -9.084 3.340 1.00 0.00 H new ATOM 0 HA ILE A 122 8.626 -11.871 3.731 1.00 0.00 H new ATOM 0 HB ILE A 122 10.358 -10.637 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 122 10.096 -11.229 7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.397 -11.553 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.986 -8.920 6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.335 -8.436 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 122 8.235 -9.010 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 122 9.693 -13.630 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.991 -13.352 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 122 10.716 -13.023 5.595 1.00 0.00 H new ATOM 1615 N ASN A 123 6.525 -12.381 4.860 1.00 0.00 N ATOM 1616 CA ASN A 123 5.305 -12.719 5.549 1.00 0.00 C ATOM 1617 C ASN A 123 5.640 -12.840 7.007 1.00 0.00 C ATOM 1618 O ASN A 123 6.284 -13.799 7.423 1.00 0.00 O ATOM 1619 CB ASN A 123 4.728 -14.049 5.034 1.00 0.00 C ATOM 1620 CG ASN A 123 3.468 -14.501 5.778 1.00 0.00 C ATOM 1621 OD1 ASN A 123 2.358 -14.149 5.410 1.00 0.00 O ATOM 1622 ND2 ASN A 123 3.629 -15.291 6.813 1.00 0.00 N ATOM 0 H ASN A 123 7.024 -13.177 4.462 1.00 0.00 H new ATOM 0 HA ASN A 123 4.553 -11.949 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.497 -13.949 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.489 -14.824 5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 123 2.816 -15.626 7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.567 -15.571 7.100 1.00 0.00 H new ATOM 1629 N GLN A 124 5.261 -11.858 7.761 1.00 0.00 N ATOM 1630 CA GLN A 124 5.536 -11.853 9.160 1.00 0.00 C ATOM 1631 C GLN A 124 4.328 -12.352 9.889 1.00 0.00 C ATOM 1632 O GLN A 124 4.319 -13.515 10.330 1.00 0.00 O ATOM 1633 CB GLN A 124 5.917 -10.459 9.646 1.00 0.00 C ATOM 1634 CG GLN A 124 7.128 -9.864 8.944 1.00 0.00 C ATOM 1635 CD GLN A 124 7.583 -8.550 9.563 1.00 0.00 C ATOM 1636 OE1 GLN A 124 8.762 -8.205 9.520 1.00 0.00 O ATOM 1637 NE2 GLN A 124 6.675 -7.808 10.142 1.00 0.00 N ATOM 1638 OXT GLN A 124 3.338 -11.604 9.979 1.00 0.00 O ATOM 0 H GLN A 124 4.754 -11.040 7.424 1.00 0.00 H new ATOM 0 HA GLN A 124 6.385 -12.507 9.359 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.066 -9.792 9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.116 -10.501 10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.949 -10.580 8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.889 -9.702 7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.703 -8.116 10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.939 -6.921 10.571 1.00 0.00 H new TER 1647 GLN A 124