USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 625 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 13 ASN : amide:sc= -0.318 X(o=-0.59,f=-0.28) USER MOD Set 1.2: A 70 ASN : amide:sc= -0.268 K(o=-0.59,f=-1.4) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 116:sc= 0.0787 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=0.000783 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.336 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.332 K(o=0.33,f=-0.42) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -1.41 (180deg=-2.47!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.159 (180deg=-0.652) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= -1.96! (180deg=-4.81!) USER MOD Single : A 88 ASN : amide:sc= -2.15! C(o=-2.1!,f=-11!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N VAL A 4 -12.618 -1.164 -18.510 1.00 0.00 N ATOM 44 CA VAL A 4 -11.469 -1.051 -17.569 1.00 0.00 C ATOM 45 C VAL A 4 -11.068 0.419 -17.429 1.00 0.00 C ATOM 46 O VAL A 4 -11.544 1.274 -18.149 1.00 0.00 O ATOM 47 CB VAL A 4 -10.284 -1.853 -18.111 1.00 0.00 C ATOM 48 CG1 VAL A 4 -10.436 -3.322 -17.713 1.00 0.00 C ATOM 49 CG2 VAL A 4 -10.251 -1.740 -19.638 1.00 0.00 C ATOM 0 HA VAL A 4 -11.758 -1.444 -16.594 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.357 -1.459 -17.695 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.592 -3.893 -18.099 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.462 -3.404 -16.626 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.362 -3.718 -18.129 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.408 -2.311 -20.027 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.178 -2.135 -20.052 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.143 -0.693 -19.923 1.00 0.00 H new ATOM 59 N THR A 5 -10.195 0.719 -16.507 1.00 0.00 N ATOM 60 CA THR A 5 -9.765 2.134 -16.322 1.00 0.00 C ATOM 61 C THR A 5 -8.313 2.167 -15.841 1.00 0.00 C ATOM 62 O THR A 5 -7.891 1.342 -15.054 1.00 0.00 O ATOM 63 CB THR A 5 -10.663 2.809 -15.281 1.00 0.00 C ATOM 64 OG1 THR A 5 -11.980 2.929 -15.801 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.112 4.197 -14.952 1.00 0.00 C ATOM 0 H THR A 5 -9.761 0.047 -15.874 1.00 0.00 H new ATOM 0 HA THR A 5 -9.846 2.665 -17.270 1.00 0.00 H new ATOM 0 HB THR A 5 -10.685 2.206 -14.373 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.557 3.359 -15.136 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.752 4.676 -14.211 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.102 4.102 -14.552 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.088 4.803 -15.858 1.00 0.00 H new ATOM 73 N LYS A 6 -7.545 3.114 -16.306 1.00 0.00 N ATOM 74 CA LYS A 6 -6.122 3.198 -15.875 1.00 0.00 C ATOM 75 C LYS A 6 -5.939 4.399 -14.944 1.00 0.00 C ATOM 76 O LYS A 6 -6.313 5.508 -15.268 1.00 0.00 O ATOM 77 CB LYS A 6 -5.225 3.365 -17.104 1.00 0.00 C ATOM 78 CG LYS A 6 -3.852 2.754 -16.822 1.00 0.00 C ATOM 79 CD LYS A 6 -2.778 3.542 -17.576 1.00 0.00 C ATOM 80 CE LYS A 6 -2.893 3.257 -19.075 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.397 4.433 -19.844 1.00 0.00 N ATOM 0 H LYS A 6 -7.842 3.833 -16.966 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.849 2.284 -15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.680 2.880 -17.968 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.121 4.422 -17.350 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.647 2.772 -15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.836 1.709 -17.132 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.896 4.609 -17.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.788 3.262 -17.217 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.314 2.370 -19.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.930 3.048 -19.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.475 4.240 -20.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.967 5.269 -19.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.402 4.612 -19.601 1.00 0.00 H new ATOM 95 N TYR A 7 -5.370 4.186 -13.790 1.00 0.00 N ATOM 96 CA TYR A 7 -5.165 5.316 -12.841 1.00 0.00 C ATOM 97 C TYR A 7 -3.710 5.784 -12.911 1.00 0.00 C ATOM 98 O TYR A 7 -2.802 4.995 -13.090 1.00 0.00 O ATOM 99 CB TYR A 7 -5.483 4.852 -11.418 1.00 0.00 C ATOM 100 CG TYR A 7 -6.903 5.228 -11.071 1.00 0.00 C ATOM 101 CD1 TYR A 7 -7.960 4.384 -11.435 1.00 0.00 C ATOM 102 CD2 TYR A 7 -7.164 6.419 -10.384 1.00 0.00 C ATOM 103 CE1 TYR A 7 -9.277 4.733 -11.113 1.00 0.00 C ATOM 104 CE2 TYR A 7 -8.481 6.767 -10.062 1.00 0.00 C ATOM 105 CZ TYR A 7 -9.537 5.925 -10.426 1.00 0.00 C ATOM 106 OH TYR A 7 -10.836 6.268 -10.108 1.00 0.00 O ATOM 0 H TYR A 7 -5.038 3.279 -13.463 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.825 6.140 -13.111 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.351 3.773 -11.338 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.791 5.311 -10.711 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.759 3.464 -11.964 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.349 7.070 -10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.092 4.083 -11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.682 7.686 -9.532 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.841 7.124 -9.631 1.00 0.00 H new ATOM 116 N PHE A 8 -3.480 7.061 -12.772 1.00 0.00 N ATOM 117 CA PHE A 8 -2.083 7.576 -12.832 1.00 0.00 C ATOM 118 C PHE A 8 -1.679 8.114 -11.457 1.00 0.00 C ATOM 119 O PHE A 8 -2.303 9.009 -10.922 1.00 0.00 O ATOM 120 CB PHE A 8 -1.998 8.703 -13.864 1.00 0.00 C ATOM 121 CG PHE A 8 -1.338 8.188 -15.120 1.00 0.00 C ATOM 122 CD1 PHE A 8 -2.105 7.551 -16.104 1.00 0.00 C ATOM 123 CD2 PHE A 8 0.042 8.345 -15.300 1.00 0.00 C ATOM 124 CE1 PHE A 8 -1.492 7.073 -17.269 1.00 0.00 C ATOM 125 CE2 PHE A 8 0.654 7.866 -16.465 1.00 0.00 C ATOM 126 CZ PHE A 8 -0.113 7.231 -17.449 1.00 0.00 C ATOM 0 H PHE A 8 -4.198 7.769 -12.620 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.410 6.768 -13.120 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.996 9.077 -14.092 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.429 9.540 -13.458 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.169 7.429 -15.964 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.634 8.835 -14.541 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.083 6.583 -18.028 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.718 7.987 -16.604 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.360 6.863 -18.348 1.00 0.00 H new ATOM 136 N TYR A 9 -0.640 7.575 -10.881 1.00 0.00 N ATOM 137 CA TYR A 9 -0.198 8.055 -9.541 1.00 0.00 C ATOM 138 C TYR A 9 1.286 8.424 -9.595 1.00 0.00 C ATOM 139 O TYR A 9 2.079 7.755 -10.228 1.00 0.00 O ATOM 140 CB TYR A 9 -0.411 6.950 -8.506 1.00 0.00 C ATOM 141 CG TYR A 9 0.065 7.425 -7.155 1.00 0.00 C ATOM 142 CD1 TYR A 9 -0.814 8.106 -6.303 1.00 0.00 C ATOM 143 CD2 TYR A 9 1.384 7.187 -6.754 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.373 8.548 -5.050 1.00 0.00 C ATOM 145 CE2 TYR A 9 1.825 7.629 -5.500 1.00 0.00 C ATOM 146 CZ TYR A 9 0.947 8.309 -4.649 1.00 0.00 C ATOM 147 OH TYR A 9 1.382 8.745 -3.413 1.00 0.00 O ATOM 0 H TYR A 9 -0.078 6.823 -11.280 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.781 8.932 -9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.466 6.681 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.133 6.052 -8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.832 8.290 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.062 6.663 -7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.051 9.073 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.843 7.445 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 9 1.622 7.973 -2.859 1.00 0.00 H new ATOM 157 N LYS A 10 1.668 9.483 -8.936 1.00 0.00 N ATOM 158 CA LYS A 10 3.101 9.893 -8.951 1.00 0.00 C ATOM 159 C LYS A 10 3.769 9.454 -7.647 1.00 0.00 C ATOM 160 O LYS A 10 3.186 9.527 -6.583 1.00 0.00 O ATOM 161 CB LYS A 10 3.194 11.415 -9.084 1.00 0.00 C ATOM 162 CG LYS A 10 4.512 11.787 -9.766 1.00 0.00 C ATOM 163 CD LYS A 10 4.961 13.170 -9.289 1.00 0.00 C ATOM 164 CE LYS A 10 6.116 13.663 -10.164 1.00 0.00 C ATOM 165 NZ LYS A 10 6.036 15.143 -10.303 1.00 0.00 N ATOM 0 H LYS A 10 1.051 10.082 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 10 3.606 9.423 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.352 11.792 -9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.137 11.881 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.276 11.045 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.386 11.787 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.128 13.871 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.276 13.122 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.070 13.380 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.070 13.192 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.821 15.479 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.131 15.402 -10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.100 15.584 -9.363 1.00 0.00 H new ATOM 179 N GLY A 11 4.990 8.997 -7.720 1.00 0.00 N ATOM 180 CA GLY A 11 5.694 8.553 -6.483 1.00 0.00 C ATOM 181 C GLY A 11 6.676 9.638 -6.037 1.00 0.00 C ATOM 182 O GLY A 11 6.631 10.759 -6.504 1.00 0.00 O ATOM 0 H GLY A 11 5.530 8.912 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.971 8.355 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.226 7.620 -6.670 1.00 0.00 H new ATOM 186 N GLU A 12 7.562 9.315 -5.135 1.00 0.00 N ATOM 187 CA GLU A 12 8.544 10.329 -4.659 1.00 0.00 C ATOM 188 C GLU A 12 9.842 10.194 -5.457 1.00 0.00 C ATOM 189 O GLU A 12 10.529 11.163 -5.713 1.00 0.00 O ATOM 190 CB GLU A 12 8.833 10.102 -3.174 1.00 0.00 C ATOM 191 CG GLU A 12 8.803 11.443 -2.438 1.00 0.00 C ATOM 192 CD GLU A 12 8.876 11.199 -0.929 1.00 0.00 C ATOM 193 OE1 GLU A 12 8.144 10.349 -0.450 1.00 0.00 O ATOM 194 OE2 GLU A 12 9.663 11.868 -0.278 1.00 0.00 O ATOM 0 H GLU A 12 7.648 8.393 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 12 8.132 11.328 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.093 9.425 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.807 9.629 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.640 12.064 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.891 11.985 -2.686 1.00 0.00 H new ATOM 201 N ASN A 13 10.185 8.998 -5.853 1.00 0.00 N ATOM 202 CA ASN A 13 11.437 8.802 -6.634 1.00 0.00 C ATOM 203 C ASN A 13 11.086 8.423 -8.075 1.00 0.00 C ATOM 204 O ASN A 13 11.813 8.724 -9.001 1.00 0.00 O ATOM 205 CB ASN A 13 12.265 7.682 -6.000 1.00 0.00 C ATOM 206 CG ASN A 13 13.377 8.290 -5.144 1.00 0.00 C ATOM 207 OD1 ASN A 13 14.485 7.794 -5.126 1.00 0.00 O ATOM 208 ND2 ASN A 13 13.126 9.352 -4.429 1.00 0.00 N ATOM 0 H ASN A 13 9.651 8.149 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 13 12.014 9.727 -6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.626 7.046 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.694 7.049 -6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.861 9.766 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.195 9.769 -4.444 1.00 0.00 H new ATOM 215 N THR A 14 9.976 7.766 -8.271 1.00 0.00 N ATOM 216 CA THR A 14 9.579 7.368 -9.651 1.00 0.00 C ATOM 217 C THR A 14 8.057 7.435 -9.782 1.00 0.00 C ATOM 218 O THR A 14 7.357 7.755 -8.843 1.00 0.00 O ATOM 219 CB THR A 14 10.053 5.939 -9.927 1.00 0.00 C ATOM 220 OG1 THR A 14 10.008 5.690 -11.325 1.00 0.00 O ATOM 221 CG2 THR A 14 9.145 4.948 -9.199 1.00 0.00 C ATOM 0 H THR A 14 9.327 7.488 -7.535 1.00 0.00 H new ATOM 0 HA THR A 14 10.036 8.047 -10.371 1.00 0.00 H new ATOM 0 HB THR A 14 11.076 5.819 -9.569 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.313 4.776 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.484 3.931 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.182 5.141 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.121 5.064 -9.554 1.00 0.00 H new ATOM 229 N ASP A 15 7.538 7.133 -10.941 1.00 0.00 N ATOM 230 CA ASP A 15 6.061 7.180 -11.130 1.00 0.00 C ATOM 231 C ASP A 15 5.485 5.769 -10.989 1.00 0.00 C ATOM 232 O ASP A 15 6.194 4.786 -11.079 1.00 0.00 O ATOM 233 CB ASP A 15 5.742 7.722 -12.525 1.00 0.00 C ATOM 234 CG ASP A 15 4.235 7.950 -12.653 1.00 0.00 C ATOM 235 OD1 ASP A 15 3.515 6.972 -12.760 1.00 0.00 O ATOM 236 OD2 ASP A 15 3.827 9.100 -12.641 1.00 0.00 O ATOM 0 H ASP A 15 8.073 6.856 -11.764 1.00 0.00 H new ATOM 0 HA ASP A 15 5.619 7.832 -10.377 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.277 8.656 -12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.080 7.018 -13.286 1.00 0.00 H new ATOM 241 N LEU A 16 4.204 5.662 -10.766 1.00 0.00 N ATOM 242 CA LEU A 16 3.584 4.314 -10.618 1.00 0.00 C ATOM 243 C LEU A 16 2.225 4.298 -11.321 1.00 0.00 C ATOM 244 O LEU A 16 1.472 5.249 -11.258 1.00 0.00 O ATOM 245 CB LEU A 16 3.395 4.001 -9.133 1.00 0.00 C ATOM 246 CG LEU A 16 4.750 4.038 -8.424 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.537 3.983 -6.911 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.587 2.835 -8.865 1.00 0.00 C ATOM 0 H LEU A 16 3.560 6.448 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 16 4.234 3.563 -11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.717 4.726 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.937 3.019 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 16 5.271 4.960 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.503 4.009 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.940 4.839 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.016 3.062 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.553 2.859 -8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.065 1.914 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.740 2.874 -9.944 1.00 0.00 H new ATOM 260 N ILE A 17 1.906 3.224 -11.990 1.00 0.00 N ATOM 261 CA ILE A 17 0.595 3.148 -12.696 1.00 0.00 C ATOM 262 C ILE A 17 -0.225 1.992 -12.122 1.00 0.00 C ATOM 263 O ILE A 17 0.284 0.915 -11.883 1.00 0.00 O ATOM 264 CB ILE A 17 0.833 2.914 -14.188 1.00 0.00 C ATOM 265 CG1 ILE A 17 1.700 4.044 -14.749 1.00 0.00 C ATOM 266 CG2 ILE A 17 -0.509 2.891 -14.922 1.00 0.00 C ATOM 267 CD1 ILE A 17 2.112 3.707 -16.183 1.00 0.00 C ATOM 0 H ILE A 17 2.496 2.396 -12.078 1.00 0.00 H new ATOM 0 HA ILE A 17 0.052 4.083 -12.558 1.00 0.00 H new ATOM 0 HB ILE A 17 1.341 1.960 -14.329 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.149 4.984 -14.729 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.585 4.180 -14.128 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.339 2.724 -15.986 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.128 2.088 -14.523 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.017 3.845 -14.781 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.729 4.511 -16.583 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.680 2.777 -16.189 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.221 3.593 -16.800 1.00 0.00 H new ATOM 279 N VAL A 18 -1.493 2.205 -11.899 1.00 0.00 N ATOM 280 CA VAL A 18 -2.345 1.117 -11.341 1.00 0.00 C ATOM 281 C VAL A 18 -3.489 0.815 -12.313 1.00 0.00 C ATOM 282 O VAL A 18 -3.697 1.522 -13.279 1.00 0.00 O ATOM 283 CB VAL A 18 -2.923 1.560 -9.996 1.00 0.00 C ATOM 284 CG1 VAL A 18 -2.168 0.864 -8.862 1.00 0.00 C ATOM 285 CG2 VAL A 18 -2.773 3.076 -9.853 1.00 0.00 C ATOM 0 H VAL A 18 -1.976 3.085 -12.079 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.742 0.220 -11.199 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.978 1.292 -9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.580 1.180 -7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.273 -0.216 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.113 1.132 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.184 3.394 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.717 3.343 -9.901 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.310 3.573 -10.661 1.00 0.00 H new ATOM 295 N PHE A 19 -4.230 -0.229 -12.064 1.00 0.00 N ATOM 296 CA PHE A 19 -5.358 -0.575 -12.974 1.00 0.00 C ATOM 297 C PHE A 19 -6.657 -0.651 -12.169 1.00 0.00 C ATOM 298 O PHE A 19 -6.644 -0.742 -10.957 1.00 0.00 O ATOM 299 CB PHE A 19 -5.086 -1.928 -13.633 1.00 0.00 C ATOM 300 CG PHE A 19 -4.147 -1.740 -14.800 1.00 0.00 C ATOM 301 CD1 PHE A 19 -4.637 -1.273 -16.025 1.00 0.00 C ATOM 302 CD2 PHE A 19 -2.785 -2.033 -14.656 1.00 0.00 C ATOM 303 CE1 PHE A 19 -3.766 -1.099 -17.106 1.00 0.00 C ATOM 304 CE2 PHE A 19 -1.914 -1.858 -15.737 1.00 0.00 C ATOM 305 CZ PHE A 19 -2.403 -1.391 -16.963 1.00 0.00 C ATOM 0 H PHE A 19 -4.103 -0.857 -11.270 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.452 0.191 -13.744 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.650 -2.616 -12.909 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.021 -2.373 -13.973 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.687 -1.047 -16.136 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.407 -2.394 -13.711 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.144 -0.739 -18.051 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.864 -2.083 -15.626 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.731 -1.256 -17.797 1.00 0.00 H new ATOM 315 N ALA A 20 -7.780 -0.615 -12.833 1.00 0.00 N ATOM 316 CA ALA A 20 -9.079 -0.685 -12.104 1.00 0.00 C ATOM 317 C ALA A 20 -10.172 -1.169 -13.058 1.00 0.00 C ATOM 318 O ALA A 20 -9.916 -1.484 -14.204 1.00 0.00 O ATOM 319 CB ALA A 20 -9.442 0.703 -11.574 1.00 0.00 C ATOM 0 H ALA A 20 -7.855 -0.540 -13.848 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.991 -1.380 -11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.391 0.652 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.663 1.048 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.531 1.399 -12.408 1.00 0.00 H new ATOM 325 N ALA A 21 -11.391 -1.232 -12.596 1.00 0.00 N ATOM 326 CA ALA A 21 -12.499 -1.697 -13.477 1.00 0.00 C ATOM 327 C ALA A 21 -13.367 -0.501 -13.876 1.00 0.00 C ATOM 328 O ALA A 21 -13.345 -0.057 -15.007 1.00 0.00 O ATOM 329 CB ALA A 21 -13.353 -2.720 -12.726 1.00 0.00 C ATOM 0 H ALA A 21 -11.667 -0.982 -11.647 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.083 -2.160 -14.372 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.164 -3.060 -13.370 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.734 -3.571 -12.441 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.770 -2.259 -11.831 1.00 0.00 H new ATOM 335 N SER A 22 -14.131 0.022 -12.957 1.00 0.00 N ATOM 336 CA SER A 22 -15.000 1.188 -13.285 1.00 0.00 C ATOM 337 C SER A 22 -14.971 2.187 -12.127 1.00 0.00 C ATOM 338 O SER A 22 -14.980 1.812 -10.971 1.00 0.00 O ATOM 339 CB SER A 22 -16.434 0.708 -13.509 1.00 0.00 C ATOM 340 OG SER A 22 -16.999 1.411 -14.607 1.00 0.00 O ATOM 0 H SER A 22 -14.191 -0.307 -11.993 1.00 0.00 H new ATOM 0 HA SER A 22 -14.633 1.671 -14.191 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.444 -0.364 -13.705 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.029 0.874 -12.611 1.00 0.00 H new ATOM 0 HG SER A 22 -17.918 1.104 -14.754 1.00 0.00 H new ATOM 346 N GLU A 23 -14.935 3.456 -12.426 1.00 0.00 N ATOM 347 CA GLU A 23 -14.904 4.477 -11.342 1.00 0.00 C ATOM 348 C GLU A 23 -16.029 4.194 -10.343 1.00 0.00 C ATOM 349 O GLU A 23 -15.796 4.037 -9.161 1.00 0.00 O ATOM 350 CB GLU A 23 -15.099 5.870 -11.946 1.00 0.00 C ATOM 351 CG GLU A 23 -13.748 6.415 -12.416 1.00 0.00 C ATOM 352 CD GLU A 23 -13.966 7.708 -13.203 1.00 0.00 C ATOM 353 OE1 GLU A 23 -14.943 8.387 -12.931 1.00 0.00 O ATOM 354 OE2 GLU A 23 -13.153 7.998 -14.065 1.00 0.00 O ATOM 0 H GLU A 23 -14.926 3.830 -13.375 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.942 4.434 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.795 5.821 -12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -15.537 6.541 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.102 6.603 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.243 5.677 -13.040 1.00 0.00 H new ATOM 361 N GLU A 24 -17.246 4.127 -10.809 1.00 0.00 N ATOM 362 CA GLU A 24 -18.383 3.854 -9.885 1.00 0.00 C ATOM 363 C GLU A 24 -17.946 2.842 -8.823 1.00 0.00 C ATOM 364 O GLU A 24 -18.219 3.001 -7.650 1.00 0.00 O ATOM 365 CB GLU A 24 -19.559 3.284 -10.680 1.00 0.00 C ATOM 366 CG GLU A 24 -20.754 3.076 -9.746 1.00 0.00 C ATOM 367 CD GLU A 24 -21.251 4.433 -9.243 1.00 0.00 C ATOM 368 OE1 GLU A 24 -21.780 5.183 -10.048 1.00 0.00 O ATOM 369 OE2 GLU A 24 -21.094 4.699 -8.064 1.00 0.00 O ATOM 0 H GLU A 24 -17.502 4.249 -11.789 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.688 4.781 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.829 3.964 -11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.275 2.338 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.554 2.556 -10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.466 2.447 -8.904 1.00 0.00 H new ATOM 376 N LEU A 25 -17.270 1.801 -9.226 1.00 0.00 N ATOM 377 CA LEU A 25 -16.817 0.781 -8.240 1.00 0.00 C ATOM 378 C LEU A 25 -15.703 1.369 -7.371 1.00 0.00 C ATOM 379 O LEU A 25 -15.510 0.972 -6.238 1.00 0.00 O ATOM 380 CB LEU A 25 -16.288 -0.449 -8.982 1.00 0.00 C ATOM 381 CG LEU A 25 -17.453 -1.374 -9.334 1.00 0.00 C ATOM 382 CD1 LEU A 25 -17.077 -2.236 -10.539 1.00 0.00 C ATOM 383 CD2 LEU A 25 -17.761 -2.279 -8.138 1.00 0.00 C ATOM 0 H LEU A 25 -17.012 1.613 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.657 0.491 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.766 -0.143 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.565 -0.978 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 25 -18.331 -0.776 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.909 -2.895 -10.789 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.855 -1.593 -11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.199 -2.835 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -18.592 -2.940 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.881 -2.876 -7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.030 -1.666 -7.278 1.00 0.00 H new ATOM 395 N VAL A 26 -14.969 2.314 -7.891 1.00 0.00 N ATOM 396 CA VAL A 26 -13.870 2.928 -7.094 1.00 0.00 C ATOM 397 C VAL A 26 -14.466 3.839 -6.020 1.00 0.00 C ATOM 398 O VAL A 26 -14.176 3.704 -4.847 1.00 0.00 O ATOM 399 CB VAL A 26 -12.969 3.750 -8.017 1.00 0.00 C ATOM 400 CG1 VAL A 26 -11.857 4.405 -7.196 1.00 0.00 C ATOM 401 CG2 VAL A 26 -12.348 2.831 -9.073 1.00 0.00 C ATOM 0 H VAL A 26 -15.083 2.687 -8.833 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.283 2.142 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.561 4.523 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.215 4.991 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.297 5.059 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.265 3.633 -6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.706 3.416 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.757 2.059 -8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.139 2.364 -9.659 1.00 0.00 H new ATOM 411 N ASP A 27 -15.297 4.767 -6.410 1.00 0.00 N ATOM 412 CA ASP A 27 -15.910 5.686 -5.409 1.00 0.00 C ATOM 413 C ASP A 27 -16.698 4.870 -4.383 1.00 0.00 C ATOM 414 O ASP A 27 -16.912 5.300 -3.267 1.00 0.00 O ATOM 415 CB ASP A 27 -16.855 6.657 -6.122 1.00 0.00 C ATOM 416 CG ASP A 27 -16.744 8.041 -5.478 1.00 0.00 C ATOM 417 OD1 ASP A 27 -15.627 8.494 -5.285 1.00 0.00 O ATOM 418 OD2 ASP A 27 -17.776 8.622 -5.190 1.00 0.00 O ATOM 0 H ASP A 27 -15.578 4.928 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.125 6.247 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.603 6.715 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.881 6.295 -6.058 1.00 0.00 H new ATOM 423 N GLU A 28 -17.129 3.695 -4.750 1.00 0.00 N ATOM 424 CA GLU A 28 -17.903 2.853 -3.794 1.00 0.00 C ATOM 425 C GLU A 28 -16.949 2.250 -2.760 1.00 0.00 C ATOM 426 O GLU A 28 -17.270 2.143 -1.593 1.00 0.00 O ATOM 427 CB GLU A 28 -18.606 1.728 -4.557 1.00 0.00 C ATOM 428 CG GLU A 28 -20.018 2.174 -4.938 1.00 0.00 C ATOM 429 CD GLU A 28 -20.676 1.100 -5.805 1.00 0.00 C ATOM 430 OE1 GLU A 28 -19.957 0.262 -6.324 1.00 0.00 O ATOM 431 OE2 GLU A 28 -21.889 1.134 -5.937 1.00 0.00 O ATOM 0 H GLU A 28 -16.979 3.281 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.647 3.468 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.040 1.473 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -18.651 0.830 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -20.611 2.345 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -19.979 3.119 -5.479 1.00 0.00 H new ATOM 438 N TYR A 29 -15.778 1.855 -3.179 1.00 0.00 N ATOM 439 CA TYR A 29 -14.805 1.259 -2.220 1.00 0.00 C ATOM 440 C TYR A 29 -14.481 2.276 -1.125 1.00 0.00 C ATOM 441 O TYR A 29 -14.528 1.972 0.051 1.00 0.00 O ATOM 442 CB TYR A 29 -13.521 0.885 -2.965 1.00 0.00 C ATOM 443 CG TYR A 29 -12.521 0.316 -1.987 1.00 0.00 C ATOM 444 CD1 TYR A 29 -12.750 -0.935 -1.399 1.00 0.00 C ATOM 445 CD2 TYR A 29 -11.365 1.038 -1.668 1.00 0.00 C ATOM 446 CE1 TYR A 29 -11.822 -1.462 -0.493 1.00 0.00 C ATOM 447 CE2 TYR A 29 -10.438 0.511 -0.762 1.00 0.00 C ATOM 448 CZ TYR A 29 -10.666 -0.739 -0.174 1.00 0.00 C ATOM 449 OH TYR A 29 -9.752 -1.260 0.719 1.00 0.00 O ATOM 0 H TYR A 29 -15.453 1.919 -4.144 1.00 0.00 H new ATOM 0 HA TYR A 29 -15.238 0.366 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -13.739 0.155 -3.745 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -13.105 1.763 -3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.642 -1.492 -1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.189 2.002 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.998 -2.426 -0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.546 1.069 -0.516 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.007 -0.633 0.828 1.00 0.00 H new ATOM 459 N LEU A 30 -14.150 3.481 -1.499 1.00 0.00 N ATOM 460 CA LEU A 30 -13.822 4.515 -0.478 1.00 0.00 C ATOM 461 C LEU A 30 -14.869 4.481 0.638 1.00 0.00 C ATOM 462 O LEU A 30 -14.574 4.744 1.787 1.00 0.00 O ATOM 463 CB LEU A 30 -13.821 5.898 -1.133 1.00 0.00 C ATOM 464 CG LEU A 30 -12.454 6.160 -1.767 1.00 0.00 C ATOM 465 CD1 LEU A 30 -12.592 7.221 -2.860 1.00 0.00 C ATOM 466 CD2 LEU A 30 -11.482 6.659 -0.695 1.00 0.00 C ATOM 0 H LEU A 30 -14.092 3.794 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.837 4.311 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -14.602 5.954 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.042 6.664 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.074 5.236 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.617 7.407 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.284 6.868 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.973 8.145 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.507 6.846 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.863 7.583 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.382 5.904 0.085 1.00 0.00 H new ATOM 478 N LYS A 31 -16.089 4.155 0.310 1.00 0.00 N ATOM 479 CA LYS A 31 -17.152 4.104 1.353 1.00 0.00 C ATOM 480 C LYS A 31 -17.228 2.691 1.935 1.00 0.00 C ATOM 481 O LYS A 31 -17.991 2.423 2.842 1.00 0.00 O ATOM 482 CB LYS A 31 -18.500 4.472 0.729 1.00 0.00 C ATOM 483 CG LYS A 31 -18.645 5.994 0.679 1.00 0.00 C ATOM 484 CD LYS A 31 -17.790 6.551 -0.462 1.00 0.00 C ATOM 485 CE LYS A 31 -17.910 8.077 -0.490 1.00 0.00 C ATOM 486 NZ LYS A 31 -19.098 8.467 -1.300 1.00 0.00 N ATOM 0 H LYS A 31 -16.396 3.922 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.915 4.812 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.572 4.057 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -19.312 4.038 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.690 6.266 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.334 6.431 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.748 6.260 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.117 6.132 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.006 8.464 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.007 8.516 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.180 9.504 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.989 8.110 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.956 8.060 -0.876 1.00 0.00 H new ATOM 500 N ASN A 32 -16.444 1.784 1.419 1.00 0.00 N ATOM 501 CA ASN A 32 -16.473 0.390 1.944 1.00 0.00 C ATOM 502 C ASN A 32 -15.055 -0.185 1.948 1.00 0.00 C ATOM 503 O ASN A 32 -14.771 -1.164 1.286 1.00 0.00 O ATOM 504 CB ASN A 32 -17.370 -0.472 1.051 1.00 0.00 C ATOM 505 CG ASN A 32 -18.802 0.061 1.099 1.00 0.00 C ATOM 506 OD1 ASN A 32 -19.564 -0.286 1.980 1.00 0.00 O ATOM 507 ND2 ASN A 32 -19.205 0.897 0.182 1.00 0.00 N ATOM 0 H ASN A 32 -15.786 1.948 0.657 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.866 0.393 2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.000 -0.459 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.345 -1.509 1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.158 1.259 0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.567 1.189 -0.558 1.00 0.00 H new ATOM 514 N PRO A 33 -14.174 0.426 2.691 1.00 0.00 N ATOM 515 CA PRO A 33 -12.755 -0.019 2.794 1.00 0.00 C ATOM 516 C PRO A 33 -12.604 -1.277 3.654 1.00 0.00 C ATOM 517 O PRO A 33 -12.475 -1.205 4.860 1.00 0.00 O ATOM 518 CB PRO A 33 -12.052 1.167 3.454 1.00 0.00 C ATOM 519 CG PRO A 33 -13.111 1.875 4.233 1.00 0.00 C ATOM 520 CD PRO A 33 -14.439 1.613 3.519 1.00 0.00 C ATOM 0 HA PRO A 33 -12.341 -0.285 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.244 0.832 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.608 1.825 2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.145 1.509 5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.904 2.944 4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.245 1.431 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -14.739 2.465 2.909 1.00 0.00 H new ATOM 528 N SER A 34 -12.617 -2.431 3.042 1.00 0.00 N ATOM 529 CA SER A 34 -12.474 -3.690 3.824 1.00 0.00 C ATOM 530 C SER A 34 -12.087 -4.834 2.884 1.00 0.00 C ATOM 531 O SER A 34 -12.678 -5.018 1.840 1.00 0.00 O ATOM 532 CB SER A 34 -13.801 -4.020 4.508 1.00 0.00 C ATOM 533 OG SER A 34 -13.597 -5.066 5.449 1.00 0.00 O ATOM 0 H SER A 34 -12.720 -2.555 2.035 1.00 0.00 H new ATOM 0 HA SER A 34 -11.698 -3.561 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.195 -3.136 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.541 -4.322 3.766 1.00 0.00 H new ATOM 0 HG SER A 34 -14.446 -5.279 5.891 1.00 0.00 H new ATOM 539 N ILE A 35 -11.097 -5.603 3.246 1.00 0.00 N ATOM 540 CA ILE A 35 -10.673 -6.734 2.372 1.00 0.00 C ATOM 541 C ILE A 35 -11.907 -7.512 1.911 1.00 0.00 C ATOM 542 O ILE A 35 -12.624 -8.085 2.708 1.00 0.00 O ATOM 543 CB ILE A 35 -9.746 -7.665 3.155 1.00 0.00 C ATOM 544 CG1 ILE A 35 -8.562 -6.862 3.700 1.00 0.00 C ATOM 545 CG2 ILE A 35 -9.230 -8.768 2.231 1.00 0.00 C ATOM 546 CD1 ILE A 35 -7.898 -6.092 2.557 1.00 0.00 C ATOM 0 H ILE A 35 -10.563 -5.497 4.109 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.144 -6.343 1.503 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.296 -8.113 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.902 -6.169 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.841 -7.531 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.569 -9.431 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.072 -9.339 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.680 -8.321 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.055 -5.520 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.544 -6.794 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.622 -5.412 2.108 1.00 0.00 H new ATOM 558 N GLY A 36 -12.161 -7.537 0.632 1.00 0.00 N ATOM 559 CA GLY A 36 -13.349 -8.278 0.122 1.00 0.00 C ATOM 560 C GLY A 36 -13.830 -7.637 -1.180 1.00 0.00 C ATOM 561 O GLY A 36 -13.816 -8.251 -2.228 1.00 0.00 O ATOM 0 H GLY A 36 -11.597 -7.076 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.093 -9.324 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.147 -8.262 0.864 1.00 0.00 H new ATOM 565 N LYS A 37 -14.256 -6.404 -1.123 1.00 0.00 N ATOM 566 CA LYS A 37 -14.737 -5.724 -2.359 1.00 0.00 C ATOM 567 C LYS A 37 -13.536 -5.235 -3.170 1.00 0.00 C ATOM 568 O LYS A 37 -13.592 -5.132 -4.380 1.00 0.00 O ATOM 569 CB LYS A 37 -15.614 -4.530 -1.975 1.00 0.00 C ATOM 570 CG LYS A 37 -15.613 -3.509 -3.115 1.00 0.00 C ATOM 571 CD LYS A 37 -16.727 -2.486 -2.884 1.00 0.00 C ATOM 572 CE LYS A 37 -18.007 -2.960 -3.576 1.00 0.00 C ATOM 573 NZ LYS A 37 -18.571 -4.124 -2.833 1.00 0.00 N ATOM 0 H LYS A 37 -14.292 -5.839 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.319 -6.425 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.632 -4.863 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.240 -4.070 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.647 -3.006 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.760 -4.014 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.904 -2.360 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.429 -1.513 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.735 -2.150 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.793 -3.242 -4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.592 -4.194 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.101 -4.997 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.415 -3.994 -1.813 1.00 0.00 H new ATOM 587 N LEU A 38 -12.448 -4.935 -2.515 1.00 0.00 N ATOM 588 CA LEU A 38 -11.244 -4.454 -3.248 1.00 0.00 C ATOM 589 C LEU A 38 -11.046 -5.298 -4.510 1.00 0.00 C ATOM 590 O LEU A 38 -10.709 -4.790 -5.561 1.00 0.00 O ATOM 591 CB LEU A 38 -10.013 -4.583 -2.349 1.00 0.00 C ATOM 592 CG LEU A 38 -8.896 -3.683 -2.880 1.00 0.00 C ATOM 593 CD1 LEU A 38 -9.045 -2.281 -2.288 1.00 0.00 C ATOM 594 CD2 LEU A 38 -7.539 -4.265 -2.476 1.00 0.00 C ATOM 0 H LEU A 38 -12.341 -5.002 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.381 -3.409 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.265 -4.302 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.677 -5.620 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.960 -3.627 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.249 -1.640 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.012 -1.866 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.981 -2.336 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.742 -3.625 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.476 -4.320 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.432 -5.265 -2.897 1.00 0.00 H new ATOM 606 N SER A 39 -11.253 -6.582 -4.414 1.00 0.00 N ATOM 607 CA SER A 39 -11.078 -7.456 -5.607 1.00 0.00 C ATOM 608 C SER A 39 -12.164 -7.139 -6.636 1.00 0.00 C ATOM 609 O SER A 39 -11.926 -7.150 -7.827 1.00 0.00 O ATOM 610 CB SER A 39 -11.189 -8.922 -5.185 1.00 0.00 C ATOM 611 OG SER A 39 -10.989 -9.754 -6.321 1.00 0.00 O ATOM 0 H SER A 39 -11.536 -7.064 -3.561 1.00 0.00 H new ATOM 0 HA SER A 39 -10.097 -7.277 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.448 -9.149 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.169 -9.113 -4.748 1.00 0.00 H new ATOM 0 HG SER A 39 -11.058 -10.694 -6.054 1.00 0.00 H new ATOM 617 N GLU A 40 -13.356 -6.853 -6.186 1.00 0.00 N ATOM 618 CA GLU A 40 -14.456 -6.535 -7.139 1.00 0.00 C ATOM 619 C GLU A 40 -14.100 -5.271 -7.923 1.00 0.00 C ATOM 620 O GLU A 40 -14.660 -4.997 -8.966 1.00 0.00 O ATOM 621 CB GLU A 40 -15.754 -6.305 -6.362 1.00 0.00 C ATOM 622 CG GLU A 40 -16.950 -6.619 -7.262 1.00 0.00 C ATOM 623 CD GLU A 40 -18.245 -6.461 -6.463 1.00 0.00 C ATOM 624 OE1 GLU A 40 -18.568 -5.339 -6.111 1.00 0.00 O ATOM 625 OE2 GLU A 40 -18.893 -7.466 -6.217 1.00 0.00 O ATOM 0 H GLU A 40 -13.615 -6.826 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.590 -7.367 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.777 -6.938 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.806 -5.272 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.957 -5.950 -8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.871 -7.635 -7.649 1.00 0.00 H new ATOM 632 N VAL A 41 -13.171 -4.498 -7.430 1.00 0.00 N ATOM 633 CA VAL A 41 -12.780 -3.252 -8.149 1.00 0.00 C ATOM 634 C VAL A 41 -11.480 -3.494 -8.918 1.00 0.00 C ATOM 635 O VAL A 41 -11.477 -3.631 -10.125 1.00 0.00 O ATOM 636 CB VAL A 41 -12.572 -2.124 -7.136 1.00 0.00 C ATOM 637 CG1 VAL A 41 -12.475 -0.787 -7.875 1.00 0.00 C ATOM 638 CG2 VAL A 41 -13.755 -2.086 -6.168 1.00 0.00 C ATOM 0 H VAL A 41 -12.666 -4.675 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.568 -2.972 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.651 -2.299 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.327 0.017 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.633 -0.814 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.396 -0.611 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.608 -1.283 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -14.675 -1.910 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.826 -3.038 -5.642 1.00 0.00 H new ATOM 648 N VAL A 42 -10.373 -3.548 -8.229 1.00 0.00 N ATOM 649 CA VAL A 42 -9.074 -3.781 -8.921 1.00 0.00 C ATOM 650 C VAL A 42 -9.143 -5.095 -9.701 1.00 0.00 C ATOM 651 O VAL A 42 -9.940 -5.964 -9.405 1.00 0.00 O ATOM 652 CB VAL A 42 -7.951 -3.860 -7.887 1.00 0.00 C ATOM 653 CG1 VAL A 42 -6.598 -3.744 -8.591 1.00 0.00 C ATOM 654 CG2 VAL A 42 -8.102 -2.716 -6.883 1.00 0.00 C ATOM 0 H VAL A 42 -10.312 -3.441 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.875 -2.959 -9.609 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.007 -4.814 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.798 -3.800 -7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.489 -4.559 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.541 -2.790 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.302 -2.771 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.047 -1.762 -7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.065 -2.798 -6.380 1.00 0.00 H new ATOM 664 N GLU A 43 -8.314 -5.249 -10.698 1.00 0.00 N ATOM 665 CA GLU A 43 -8.332 -6.507 -11.495 1.00 0.00 C ATOM 666 C GLU A 43 -6.983 -7.215 -11.363 1.00 0.00 C ATOM 667 O GLU A 43 -6.880 -8.267 -10.762 1.00 0.00 O ATOM 668 CB GLU A 43 -8.592 -6.176 -12.966 1.00 0.00 C ATOM 669 CG GLU A 43 -9.643 -7.133 -13.528 1.00 0.00 C ATOM 670 CD GLU A 43 -9.520 -7.191 -15.052 1.00 0.00 C ATOM 671 OE1 GLU A 43 -10.045 -6.303 -15.703 1.00 0.00 O ATOM 672 OE2 GLU A 43 -8.901 -8.121 -15.542 1.00 0.00 O ATOM 0 H GLU A 43 -7.625 -4.557 -10.994 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.122 -7.160 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.935 -5.146 -13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.667 -6.259 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.508 -8.128 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.642 -6.799 -13.246 1.00 0.00 H new ATOM 679 N LEU A 44 -5.948 -6.649 -11.919 1.00 0.00 N ATOM 680 CA LEU A 44 -4.607 -7.291 -11.823 1.00 0.00 C ATOM 681 C LEU A 44 -3.835 -6.689 -10.647 1.00 0.00 C ATOM 682 O LEU A 44 -3.448 -5.538 -10.670 1.00 0.00 O ATOM 683 CB LEU A 44 -3.831 -7.047 -13.119 1.00 0.00 C ATOM 684 CG LEU A 44 -2.432 -7.652 -12.998 1.00 0.00 C ATOM 685 CD1 LEU A 44 -2.545 -9.167 -12.814 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.635 -7.352 -14.269 1.00 0.00 C ATOM 0 H LEU A 44 -5.973 -5.770 -12.436 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.729 -8.363 -11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.360 -7.493 -13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.760 -5.977 -13.317 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.922 -7.218 -12.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.548 -9.598 -12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.113 -9.382 -11.909 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.055 -9.601 -13.674 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.638 -7.783 -14.183 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.145 -7.786 -15.129 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.554 -6.273 -14.401 1.00 0.00 H new ATOM 698 N PHE A 45 -3.608 -7.459 -9.618 1.00 0.00 N ATOM 699 CA PHE A 45 -2.862 -6.931 -8.442 1.00 0.00 C ATOM 700 C PHE A 45 -1.397 -6.713 -8.824 1.00 0.00 C ATOM 701 O PHE A 45 -0.526 -7.469 -8.440 1.00 0.00 O ATOM 702 CB PHE A 45 -2.944 -7.936 -7.292 1.00 0.00 C ATOM 703 CG PHE A 45 -4.370 -8.030 -6.804 1.00 0.00 C ATOM 704 CD1 PHE A 45 -4.976 -6.925 -6.194 1.00 0.00 C ATOM 705 CD2 PHE A 45 -5.087 -9.222 -6.962 1.00 0.00 C ATOM 706 CE1 PHE A 45 -6.298 -7.012 -5.742 1.00 0.00 C ATOM 707 CE2 PHE A 45 -6.409 -9.309 -6.509 1.00 0.00 C ATOM 708 CZ PHE A 45 -7.014 -8.204 -5.899 1.00 0.00 C ATOM 0 H PHE A 45 -3.907 -8.431 -9.541 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.301 -5.984 -8.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.597 -8.914 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.290 -7.626 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.423 -6.005 -6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.620 -10.074 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.765 -6.159 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.962 -10.229 -6.630 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.034 -8.271 -5.549 1.00 0.00 H new ATOM 718 N GLU A 46 -1.116 -5.686 -9.581 1.00 0.00 N ATOM 719 CA GLU A 46 0.293 -5.424 -9.987 1.00 0.00 C ATOM 720 C GLU A 46 0.460 -3.941 -10.323 1.00 0.00 C ATOM 721 O GLU A 46 -0.494 -3.253 -10.630 1.00 0.00 O ATOM 722 CB GLU A 46 0.635 -6.267 -11.216 1.00 0.00 C ATOM 723 CG GLU A 46 2.146 -6.233 -11.457 1.00 0.00 C ATOM 724 CD GLU A 46 2.854 -7.037 -10.365 1.00 0.00 C ATOM 725 OE1 GLU A 46 2.632 -8.236 -10.301 1.00 0.00 O ATOM 726 OE2 GLU A 46 3.607 -6.442 -9.612 1.00 0.00 O ATOM 0 H GLU A 46 -1.801 -5.019 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 46 0.962 -5.688 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.303 -7.295 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.108 -5.884 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.378 -6.648 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.503 -5.203 -11.454 1.00 0.00 H new ATOM 733 N VAL A 47 1.664 -3.442 -10.267 1.00 0.00 N ATOM 734 CA VAL A 47 1.891 -2.003 -10.584 1.00 0.00 C ATOM 735 C VAL A 47 3.002 -1.880 -11.630 1.00 0.00 C ATOM 736 O VAL A 47 4.075 -2.427 -11.475 1.00 0.00 O ATOM 737 CB VAL A 47 2.303 -1.260 -9.313 1.00 0.00 C ATOM 738 CG1 VAL A 47 2.208 0.248 -9.549 1.00 0.00 C ATOM 739 CG2 VAL A 47 1.369 -1.655 -8.167 1.00 0.00 C ATOM 0 H VAL A 47 2.501 -3.968 -10.015 1.00 0.00 H new ATOM 0 HA VAL A 47 0.972 -1.568 -10.977 1.00 0.00 H new ATOM 0 HB VAL A 47 3.329 -1.523 -9.055 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.502 0.777 -8.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.872 0.531 -10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.182 0.512 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.662 -1.126 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.344 -1.391 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.435 -2.730 -7.997 1.00 0.00 H new ATOM 749 N PHE A 48 2.751 -1.166 -12.693 1.00 0.00 N ATOM 750 CA PHE A 48 3.794 -1.008 -13.746 1.00 0.00 C ATOM 751 C PHE A 48 4.249 0.452 -13.799 1.00 0.00 C ATOM 752 O PHE A 48 3.539 1.349 -13.389 1.00 0.00 O ATOM 753 CB PHE A 48 3.212 -1.409 -15.103 1.00 0.00 C ATOM 754 CG PHE A 48 2.926 -2.893 -15.110 1.00 0.00 C ATOM 755 CD1 PHE A 48 1.682 -3.367 -14.680 1.00 0.00 C ATOM 756 CD2 PHE A 48 3.906 -3.792 -15.546 1.00 0.00 C ATOM 757 CE1 PHE A 48 1.417 -4.742 -14.686 1.00 0.00 C ATOM 758 CE2 PHE A 48 3.642 -5.167 -15.552 1.00 0.00 C ATOM 759 CZ PHE A 48 2.397 -5.642 -15.122 1.00 0.00 C ATOM 0 H PHE A 48 1.870 -0.686 -12.878 1.00 0.00 H new ATOM 0 HA PHE A 48 4.646 -1.646 -13.512 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.296 -0.850 -15.297 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.913 -1.159 -15.899 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.926 -2.673 -14.344 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.866 -3.425 -15.878 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.457 -5.108 -14.354 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.398 -5.861 -15.888 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.193 -6.702 -15.127 1.00 0.00 H new ATOM 769 N THR A 49 5.429 0.697 -14.300 1.00 0.00 N ATOM 770 CA THR A 49 5.928 2.099 -14.379 1.00 0.00 C ATOM 771 C THR A 49 6.907 2.226 -15.549 1.00 0.00 C ATOM 772 O THR A 49 7.493 1.257 -15.987 1.00 0.00 O ATOM 773 CB THR A 49 6.642 2.460 -13.074 1.00 0.00 C ATOM 774 OG1 THR A 49 7.774 3.269 -13.365 1.00 0.00 O ATOM 775 CG2 THR A 49 7.095 1.182 -12.367 1.00 0.00 C ATOM 0 H THR A 49 6.069 -0.013 -14.658 1.00 0.00 H new ATOM 0 HA THR A 49 5.088 2.776 -14.533 1.00 0.00 H new ATOM 0 HB THR A 49 5.959 3.008 -12.425 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.232 3.503 -12.531 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.603 1.441 -11.438 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.227 0.562 -12.145 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.779 0.631 -13.013 1.00 0.00 H new ATOM 783 N PRO A 50 7.076 3.420 -16.048 1.00 0.00 N ATOM 784 CA PRO A 50 7.997 3.696 -17.187 1.00 0.00 C ATOM 785 C PRO A 50 9.469 3.551 -16.789 1.00 0.00 C ATOM 786 O PRO A 50 9.789 3.270 -15.652 1.00 0.00 O ATOM 787 CB PRO A 50 7.688 5.146 -17.570 1.00 0.00 C ATOM 788 CG PRO A 50 7.093 5.765 -16.347 1.00 0.00 C ATOM 789 CD PRO A 50 6.405 4.639 -15.575 1.00 0.00 C ATOM 0 HA PRO A 50 7.848 2.991 -18.005 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.592 5.672 -17.876 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.994 5.191 -18.409 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.864 6.237 -15.738 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.378 6.543 -16.616 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.520 4.765 -14.498 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.335 4.611 -15.780 1.00 0.00 H new ATOM 911 N LEU A 60 6.922 -0.858 -20.747 1.00 0.00 N ATOM 912 CA LEU A 60 6.823 -0.528 -19.298 1.00 0.00 C ATOM 913 C LEU A 60 7.819 -1.382 -18.510 1.00 0.00 C ATOM 914 O LEU A 60 8.357 -2.348 -19.014 1.00 0.00 O ATOM 915 CB LEU A 60 5.403 -0.815 -18.804 1.00 0.00 C ATOM 916 CG LEU A 60 4.432 0.186 -19.431 1.00 0.00 C ATOM 917 CD1 LEU A 60 2.996 -0.302 -19.233 1.00 0.00 C ATOM 918 CD2 LEU A 60 4.604 1.551 -18.759 1.00 0.00 C ATOM 0 HA LEU A 60 7.053 0.527 -19.150 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.114 -1.832 -19.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.364 -0.744 -17.717 1.00 0.00 H new ATOM 0 HG LEU A 60 4.641 0.276 -20.497 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.304 0.412 -19.680 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.873 -1.274 -19.710 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.786 -0.392 -18.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.912 2.266 -19.205 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.395 1.461 -17.693 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.627 1.900 -18.900 1.00 0.00 H new ATOM 930 N GLY A 61 8.069 -1.033 -17.278 1.00 0.00 N ATOM 931 CA GLY A 61 9.030 -1.826 -16.460 1.00 0.00 C ATOM 932 C GLY A 61 8.378 -2.206 -15.129 1.00 0.00 C ATOM 933 O GLY A 61 7.730 -1.399 -14.492 1.00 0.00 O ATOM 0 H GLY A 61 7.650 -0.234 -16.803 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.328 -2.725 -17.000 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.936 -1.246 -16.281 1.00 0.00 H new ATOM 937 N ALA A 62 8.544 -3.429 -14.704 1.00 0.00 N ATOM 938 CA ALA A 62 7.933 -3.858 -13.415 1.00 0.00 C ATOM 939 C ALA A 62 8.505 -3.015 -12.273 1.00 0.00 C ATOM 940 O ALA A 62 9.698 -2.804 -12.182 1.00 0.00 O ATOM 941 CB ALA A 62 8.250 -5.334 -13.167 1.00 0.00 C ATOM 0 H ALA A 62 9.076 -4.149 -15.194 1.00 0.00 H new ATOM 0 HA ALA A 62 6.853 -3.721 -13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.803 -5.649 -12.224 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.843 -5.935 -13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.330 -5.471 -13.120 1.00 0.00 H new ATOM 947 N ALA A 63 7.663 -2.530 -11.403 1.00 0.00 N ATOM 948 CA ALA A 63 8.160 -1.701 -10.269 1.00 0.00 C ATOM 949 C ALA A 63 8.833 -2.603 -9.233 1.00 0.00 C ATOM 950 O ALA A 63 8.282 -3.602 -8.813 1.00 0.00 O ATOM 951 CB ALA A 63 6.983 -0.969 -9.619 1.00 0.00 C ATOM 0 H ALA A 63 6.653 -2.672 -11.428 1.00 0.00 H new ATOM 0 HA ALA A 63 8.882 -0.973 -10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.345 -0.362 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.503 -0.326 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.262 -1.697 -9.248 1.00 0.00 H new ATOM 957 N SER A 64 10.021 -2.260 -8.816 1.00 0.00 N ATOM 958 CA SER A 64 10.729 -3.099 -7.808 1.00 0.00 C ATOM 959 C SER A 64 10.211 -2.760 -6.409 1.00 0.00 C ATOM 960 O SER A 64 10.124 -1.608 -6.031 1.00 0.00 O ATOM 961 CB SER A 64 12.231 -2.821 -7.877 1.00 0.00 C ATOM 962 OG SER A 64 12.664 -2.913 -9.228 1.00 0.00 O ATOM 0 H SER A 64 10.532 -1.435 -9.130 1.00 0.00 H new ATOM 0 HA SER A 64 10.545 -4.153 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 64 12.448 -1.829 -7.480 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.774 -3.537 -7.260 1.00 0.00 H new ATOM 0 HG SER A 64 13.626 -2.734 -9.276 1.00 0.00 H new ATOM 968 N LYS A 65 9.866 -3.754 -5.637 1.00 0.00 N ATOM 969 CA LYS A 65 9.354 -3.487 -4.263 1.00 0.00 C ATOM 970 C LYS A 65 10.170 -2.361 -3.625 1.00 0.00 C ATOM 971 O LYS A 65 9.638 -1.500 -2.952 1.00 0.00 O ATOM 972 CB LYS A 65 9.484 -4.754 -3.415 1.00 0.00 C ATOM 973 CG LYS A 65 10.537 -5.676 -4.032 1.00 0.00 C ATOM 974 CD LYS A 65 11.064 -6.636 -2.963 1.00 0.00 C ATOM 975 CE LYS A 65 9.930 -7.545 -2.487 1.00 0.00 C ATOM 976 NZ LYS A 65 10.499 -8.827 -1.983 1.00 0.00 N ATOM 0 H LYS A 65 9.916 -4.739 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 65 8.306 -3.192 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.766 -4.494 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.524 -5.267 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.104 -6.238 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.357 -5.086 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.879 -7.236 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.470 -6.073 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.361 -7.052 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.237 -7.739 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.728 -9.445 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.023 -9.298 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.143 -8.633 -1.190 1.00 0.00 H new ATOM 990 N ALA A 66 11.459 -2.359 -3.831 1.00 0.00 N ATOM 991 CA ALA A 66 12.307 -1.288 -3.235 1.00 0.00 C ATOM 992 C ALA A 66 11.816 0.077 -3.719 1.00 0.00 C ATOM 993 O ALA A 66 11.902 1.064 -3.015 1.00 0.00 O ATOM 994 CB ALA A 66 13.761 -1.490 -3.667 1.00 0.00 C ATOM 0 H ALA A 66 11.961 -3.052 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 66 12.242 -1.334 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.382 -0.707 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.111 -2.464 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.827 -1.443 -4.754 1.00 0.00 H new ATOM 1000 N GLN A 67 11.302 0.144 -4.917 1.00 0.00 N ATOM 1001 CA GLN A 67 10.806 1.446 -5.443 1.00 0.00 C ATOM 1002 C GLN A 67 9.457 1.776 -4.802 1.00 0.00 C ATOM 1003 O GLN A 67 9.254 2.854 -4.281 1.00 0.00 O ATOM 1004 CB GLN A 67 10.639 1.352 -6.962 1.00 0.00 C ATOM 1005 CG GLN A 67 11.908 1.861 -7.649 1.00 0.00 C ATOM 1006 CD GLN A 67 11.831 3.381 -7.802 1.00 0.00 C ATOM 1007 OE1 GLN A 67 12.198 3.919 -8.827 1.00 0.00 O ATOM 1008 NE2 GLN A 67 11.365 4.102 -6.819 1.00 0.00 N ATOM 0 H GLN A 67 11.204 -0.647 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 67 11.523 2.231 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.444 0.320 -7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.779 1.941 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.786 1.588 -7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.018 1.392 -8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.056 3.651 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.309 5.116 -6.912 1.00 0.00 H new ATOM 1017 N VAL A 68 8.533 0.855 -4.835 1.00 0.00 N ATOM 1018 CA VAL A 68 7.199 1.117 -4.225 1.00 0.00 C ATOM 1019 C VAL A 68 7.375 1.486 -2.751 1.00 0.00 C ATOM 1020 O VAL A 68 6.732 2.383 -2.245 1.00 0.00 O ATOM 1021 CB VAL A 68 6.332 -0.139 -4.336 1.00 0.00 C ATOM 1022 CG1 VAL A 68 4.903 0.186 -3.899 1.00 0.00 C ATOM 1023 CG2 VAL A 68 6.323 -0.624 -5.788 1.00 0.00 C ATOM 0 H VAL A 68 8.644 -0.067 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 68 6.715 1.941 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 68 6.739 -0.919 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.286 -0.709 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.908 0.533 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.495 0.966 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.706 -1.519 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.916 0.157 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.341 -0.856 -6.100 1.00 0.00 H new ATOM 1033 N GLU A 69 8.243 0.800 -2.059 1.00 0.00 N ATOM 1034 CA GLU A 69 8.459 1.112 -0.618 1.00 0.00 C ATOM 1035 C GLU A 69 8.826 2.590 -0.464 1.00 0.00 C ATOM 1036 O GLU A 69 8.362 3.265 0.433 1.00 0.00 O ATOM 1037 CB GLU A 69 9.596 0.245 -0.073 1.00 0.00 C ATOM 1038 CG GLU A 69 9.142 -1.213 -0.011 1.00 0.00 C ATOM 1039 CD GLU A 69 10.363 -2.123 0.135 1.00 0.00 C ATOM 1040 OE1 GLU A 69 11.210 -1.818 0.960 1.00 0.00 O ATOM 1041 OE2 GLU A 69 10.431 -3.110 -0.580 1.00 0.00 O ATOM 0 H GLU A 69 8.811 0.038 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 69 7.545 0.905 -0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.475 0.336 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.886 0.589 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.464 -1.358 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.589 -1.471 -0.914 1.00 0.00 H new ATOM 1048 N ASN A 70 9.655 3.098 -1.334 1.00 0.00 N ATOM 1049 CA ASN A 70 10.050 4.532 -1.239 1.00 0.00 C ATOM 1050 C ASN A 70 8.828 5.374 -0.868 1.00 0.00 C ATOM 1051 O ASN A 70 8.948 6.489 -0.400 1.00 0.00 O ATOM 1052 CB ASN A 70 10.603 5.001 -2.585 1.00 0.00 C ATOM 1053 CG ASN A 70 11.709 6.032 -2.354 1.00 0.00 C ATOM 1054 OD1 ASN A 70 11.658 7.124 -2.884 1.00 0.00 O ATOM 1055 ND2 ASN A 70 12.713 5.730 -1.576 1.00 0.00 N ATOM 0 H ASN A 70 10.076 2.582 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 70 10.817 4.647 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.995 4.152 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.805 5.437 -3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.455 6.411 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.756 4.813 -1.131 1.00 0.00 H new ATOM 1062 N GLU A 71 7.650 4.850 -1.074 1.00 0.00 N ATOM 1063 CA GLU A 71 6.422 5.622 -0.734 1.00 0.00 C ATOM 1064 C GLU A 71 5.679 4.923 0.407 1.00 0.00 C ATOM 1065 O GLU A 71 5.492 5.479 1.471 1.00 0.00 O ATOM 1066 CB GLU A 71 5.512 5.700 -1.961 1.00 0.00 C ATOM 1067 CG GLU A 71 6.099 6.690 -2.970 1.00 0.00 C ATOM 1068 CD GLU A 71 5.596 8.100 -2.653 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.183 8.739 -1.796 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.632 8.518 -3.274 1.00 0.00 O ATOM 0 H GLU A 71 7.486 3.921 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 71 6.701 6.629 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.414 4.715 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.512 6.016 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.188 6.663 -2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.810 6.408 -3.982 1.00 0.00 H new ATOM 1077 N PHE A 72 5.255 3.708 0.194 1.00 0.00 N ATOM 1078 CA PHE A 72 4.525 2.975 1.266 1.00 0.00 C ATOM 1079 C PHE A 72 4.470 1.486 0.920 1.00 0.00 C ATOM 1080 O PHE A 72 3.437 0.961 0.556 1.00 0.00 O ATOM 1081 CB PHE A 72 3.102 3.525 1.383 1.00 0.00 C ATOM 1082 CG PHE A 72 2.691 4.142 0.068 1.00 0.00 C ATOM 1083 CD1 PHE A 72 2.844 3.421 -1.123 1.00 0.00 C ATOM 1084 CD2 PHE A 72 2.158 5.436 0.038 1.00 0.00 C ATOM 1085 CE1 PHE A 72 2.463 3.993 -2.342 1.00 0.00 C ATOM 1086 CE2 PHE A 72 1.778 6.009 -1.182 1.00 0.00 C ATOM 1087 CZ PHE A 72 1.930 5.287 -2.371 1.00 0.00 C ATOM 0 H PHE A 72 5.382 3.191 -0.676 1.00 0.00 H new ATOM 0 HA PHE A 72 5.045 3.108 2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.413 2.725 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.053 4.270 2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.256 2.423 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.040 5.993 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.580 3.436 -3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.368 7.008 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.636 5.728 -3.312 1.00 0.00 H new ATOM 1097 N GLY A 73 5.575 0.801 1.030 1.00 0.00 N ATOM 1098 CA GLY A 73 5.585 -0.655 0.707 1.00 0.00 C ATOM 1099 C GLY A 73 6.226 -1.427 1.856 1.00 0.00 C ATOM 1100 O GLY A 73 6.349 -2.635 1.819 1.00 0.00 O ATOM 0 H GLY A 73 6.471 1.186 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.567 -1.008 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.138 -0.830 -0.216 1.00 0.00 H new ATOM 1104 N LYS A 74 6.635 -0.734 2.875 1.00 0.00 N ATOM 1105 CA LYS A 74 7.272 -1.413 4.038 1.00 0.00 C ATOM 1106 C LYS A 74 6.188 -1.895 5.004 1.00 0.00 C ATOM 1107 O LYS A 74 5.577 -1.113 5.706 1.00 0.00 O ATOM 1108 CB LYS A 74 8.198 -0.431 4.758 1.00 0.00 C ATOM 1109 CG LYS A 74 8.782 -1.098 6.005 1.00 0.00 C ATOM 1110 CD LYS A 74 10.286 -0.823 6.075 1.00 0.00 C ATOM 1111 CE LYS A 74 10.812 -1.208 7.458 1.00 0.00 C ATOM 1112 NZ LYS A 74 11.149 0.027 8.223 1.00 0.00 N ATOM 0 H LYS A 74 6.557 0.280 2.956 1.00 0.00 H new ATOM 0 HA LYS A 74 7.851 -2.267 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.001 -0.117 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.646 0.467 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.290 -0.716 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.599 -2.172 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.807 -1.392 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.483 0.231 5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.062 -1.788 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.694 -1.840 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.507 -0.234 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.879 0.564 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.297 0.614 8.327 1.00 0.00 H new ATOM 1126 N GLY A 75 5.944 -3.176 5.046 1.00 0.00 N ATOM 1127 CA GLY A 75 4.900 -3.706 5.967 1.00 0.00 C ATOM 1128 C GLY A 75 3.514 -3.325 5.443 1.00 0.00 C ATOM 1129 O GLY A 75 2.593 -3.101 6.203 1.00 0.00 O ATOM 0 H GLY A 75 6.423 -3.878 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.985 -4.790 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.045 -3.302 6.969 1.00 0.00 H new ATOM 1133 N LYS A 76 3.358 -3.250 4.150 1.00 0.00 N ATOM 1134 CA LYS A 76 2.032 -2.884 3.579 1.00 0.00 C ATOM 1135 C LYS A 76 1.653 -3.884 2.485 1.00 0.00 C ATOM 1136 O LYS A 76 2.117 -3.799 1.366 1.00 0.00 O ATOM 1137 CB LYS A 76 2.104 -1.477 2.981 1.00 0.00 C ATOM 1138 CG LYS A 76 2.402 -0.463 4.089 1.00 0.00 C ATOM 1139 CD LYS A 76 1.360 0.658 4.052 1.00 0.00 C ATOM 1140 CE LYS A 76 1.742 1.742 5.061 1.00 0.00 C ATOM 1141 NZ LYS A 76 2.570 2.780 4.383 1.00 0.00 N ATOM 0 H LYS A 76 4.092 -3.427 3.464 1.00 0.00 H new ATOM 0 HA LYS A 76 1.280 -2.906 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.880 -1.435 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.162 -1.230 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.386 -0.956 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.402 -0.049 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.303 1.083 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.373 0.260 4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.844 2.195 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.297 1.303 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.065 3.350 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.267 2.318 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.956 3.396 3.813 1.00 0.00 H new ATOM 1155 N LYS A 77 0.813 -4.832 2.800 1.00 0.00 N ATOM 1156 CA LYS A 77 0.407 -5.836 1.776 1.00 0.00 C ATOM 1157 C LYS A 77 0.050 -5.120 0.473 1.00 0.00 C ATOM 1158 O LYS A 77 -0.317 -3.962 0.469 1.00 0.00 O ATOM 1159 CB LYS A 77 -0.811 -6.614 2.281 1.00 0.00 C ATOM 1160 CG LYS A 77 -0.346 -7.771 3.167 1.00 0.00 C ATOM 1161 CD LYS A 77 -1.544 -8.346 3.927 1.00 0.00 C ATOM 1162 CE LYS A 77 -2.432 -9.133 2.961 1.00 0.00 C ATOM 1163 NZ LYS A 77 -3.341 -8.196 2.245 1.00 0.00 N ATOM 0 H LYS A 77 0.391 -4.955 3.720 1.00 0.00 H new ATOM 0 HA LYS A 77 1.231 -6.526 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.470 -5.953 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.387 -6.996 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.117 -8.546 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.411 -7.423 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.200 -8.995 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.115 -7.541 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.816 -9.677 2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.014 -9.874 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.304 -8.589 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.348 -7.278 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.007 -8.066 1.269 1.00 0.00 H new ATOM 1177 N ILE A 78 0.156 -5.799 -0.636 1.00 0.00 N ATOM 1178 CA ILE A 78 -0.175 -5.156 -1.939 1.00 0.00 C ATOM 1179 C ILE A 78 -1.624 -4.664 -1.911 1.00 0.00 C ATOM 1180 O ILE A 78 -2.010 -3.796 -2.667 1.00 0.00 O ATOM 1181 CB ILE A 78 -0.004 -6.174 -3.067 1.00 0.00 C ATOM 1182 CG1 ILE A 78 -0.165 -5.470 -4.417 1.00 0.00 C ATOM 1183 CG2 ILE A 78 -1.065 -7.268 -2.935 1.00 0.00 C ATOM 1184 CD1 ILE A 78 1.215 -5.199 -5.019 1.00 0.00 C ATOM 0 H ILE A 78 0.458 -6.772 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 78 0.492 -4.311 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 78 0.988 -6.621 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.754 -6.089 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.708 -4.533 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.942 -7.993 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.953 -7.770 -1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.057 -6.822 -2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.101 -4.698 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.788 -4.563 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.741 -6.143 -5.162 1.00 0.00 H new ATOM 1196 N GLU A 79 -2.431 -5.215 -1.046 1.00 0.00 N ATOM 1197 CA GLU A 79 -3.854 -4.779 -0.971 1.00 0.00 C ATOM 1198 C GLU A 79 -3.924 -3.355 -0.418 1.00 0.00 C ATOM 1199 O GLU A 79 -4.540 -2.482 -0.998 1.00 0.00 O ATOM 1200 CB GLU A 79 -4.629 -5.723 -0.049 1.00 0.00 C ATOM 1201 CG GLU A 79 -5.377 -6.759 -0.889 1.00 0.00 C ATOM 1202 CD GLU A 79 -5.948 -7.844 0.027 1.00 0.00 C ATOM 1203 OE1 GLU A 79 -5.441 -7.989 1.127 1.00 0.00 O ATOM 1204 OE2 GLU A 79 -6.882 -8.511 -0.388 1.00 0.00 O ATOM 0 H GLU A 79 -2.166 -5.948 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.293 -4.803 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.944 -6.222 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.333 -5.156 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.181 -6.279 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.703 -7.204 -1.621 1.00 0.00 H new ATOM 1211 N GLU A 80 -3.298 -3.111 0.701 1.00 0.00 N ATOM 1212 CA GLU A 80 -3.330 -1.743 1.290 1.00 0.00 C ATOM 1213 C GLU A 80 -2.564 -0.778 0.384 1.00 0.00 C ATOM 1214 O GLU A 80 -2.995 0.330 0.136 1.00 0.00 O ATOM 1215 CB GLU A 80 -2.678 -1.769 2.675 1.00 0.00 C ATOM 1216 CG GLU A 80 -3.426 -2.756 3.574 1.00 0.00 C ATOM 1217 CD GLU A 80 -4.668 -2.078 4.153 1.00 0.00 C ATOM 1218 OE1 GLU A 80 -5.634 -1.931 3.422 1.00 0.00 O ATOM 1219 OE2 GLU A 80 -4.634 -1.718 5.318 1.00 0.00 O ATOM 0 H GLU A 80 -2.766 -3.800 1.232 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.364 -1.411 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.631 -2.060 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.697 -0.773 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.713 -3.639 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.775 -3.096 4.380 1.00 0.00 H new ATOM 1226 N VAL A 81 -1.428 -1.188 -0.111 1.00 0.00 N ATOM 1227 CA VAL A 81 -0.635 -0.294 -1.000 1.00 0.00 C ATOM 1228 C VAL A 81 -1.549 0.302 -2.074 1.00 0.00 C ATOM 1229 O VAL A 81 -1.585 1.499 -2.276 1.00 0.00 O ATOM 1230 CB VAL A 81 0.481 -1.099 -1.669 1.00 0.00 C ATOM 1231 CG1 VAL A 81 1.084 -0.283 -2.813 1.00 0.00 C ATOM 1232 CG2 VAL A 81 1.568 -1.414 -0.639 1.00 0.00 C ATOM 0 H VAL A 81 -1.015 -2.104 0.062 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.198 0.511 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 81 0.072 -2.029 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.879 -0.857 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.310 -0.057 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.494 0.647 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.364 -1.988 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.977 -0.483 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.139 -1.996 0.177 1.00 0.00 H new ATOM 1242 N ILE A 82 -2.287 -0.524 -2.763 1.00 0.00 N ATOM 1243 CA ILE A 82 -3.196 -0.004 -3.823 1.00 0.00 C ATOM 1244 C ILE A 82 -4.225 0.939 -3.197 1.00 0.00 C ATOM 1245 O ILE A 82 -4.621 1.923 -3.790 1.00 0.00 O ATOM 1246 CB ILE A 82 -3.920 -1.174 -4.492 1.00 0.00 C ATOM 1247 CG1 ILE A 82 -2.891 -2.188 -4.998 1.00 0.00 C ATOM 1248 CG2 ILE A 82 -4.745 -0.657 -5.672 1.00 0.00 C ATOM 1249 CD1 ILE A 82 -3.520 -3.581 -5.031 1.00 0.00 C ATOM 0 H ILE A 82 -2.300 -1.536 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.612 0.538 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.580 -1.653 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.549 -1.908 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.015 -2.188 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.261 -1.491 -6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.478 0.066 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.085 -0.178 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.787 -4.303 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.840 -3.859 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.382 -3.575 -5.698 1.00 0.00 H new ATOM 1261 N ASP A 83 -4.662 0.648 -2.002 1.00 0.00 N ATOM 1262 CA ASP A 83 -5.665 1.530 -1.340 1.00 0.00 C ATOM 1263 C ASP A 83 -5.085 2.936 -1.180 1.00 0.00 C ATOM 1264 O ASP A 83 -5.551 3.883 -1.784 1.00 0.00 O ATOM 1265 CB ASP A 83 -6.012 0.961 0.037 1.00 0.00 C ATOM 1266 CG ASP A 83 -7.267 1.651 0.573 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -7.822 2.468 -0.143 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -7.653 1.350 1.691 1.00 0.00 O ATOM 0 H ASP A 83 -4.368 -0.162 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.566 1.578 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.177 -0.114 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.180 1.111 0.725 1.00 0.00 H new ATOM 1273 N LEU A 84 -4.071 3.081 -0.372 1.00 0.00 N ATOM 1274 CA LEU A 84 -3.461 4.426 -0.174 1.00 0.00 C ATOM 1275 C LEU A 84 -3.388 5.158 -1.516 1.00 0.00 C ATOM 1276 O LEU A 84 -3.504 6.366 -1.582 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.051 4.267 0.398 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.129 3.596 1.770 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.796 2.912 2.080 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.418 4.654 2.838 1.00 0.00 C ATOM 0 H LEU A 84 -3.638 2.326 0.160 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.072 5.003 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.439 3.669 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.570 5.241 0.485 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.927 2.853 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.851 2.434 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.588 2.160 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.002 3.655 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.474 4.177 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.619 5.396 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.367 5.143 2.618 1.00 0.00 H new ATOM 1292 N ILE A 85 -3.196 4.437 -2.587 1.00 0.00 N ATOM 1293 CA ILE A 85 -3.114 5.095 -3.922 1.00 0.00 C ATOM 1294 C ILE A 85 -4.527 5.389 -4.434 1.00 0.00 C ATOM 1295 O ILE A 85 -4.752 6.347 -5.145 1.00 0.00 O ATOM 1296 CB ILE A 85 -2.399 4.168 -4.905 1.00 0.00 C ATOM 1297 CG1 ILE A 85 -0.890 4.231 -4.658 1.00 0.00 C ATOM 1298 CG2 ILE A 85 -2.699 4.610 -6.338 1.00 0.00 C ATOM 1299 CD1 ILE A 85 -0.262 2.874 -4.978 1.00 0.00 C ATOM 0 H ILE A 85 -3.093 3.422 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.558 6.028 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.750 3.146 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.441 5.006 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.692 4.499 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.188 3.948 -7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.774 4.566 -6.515 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.349 5.632 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.813 2.920 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.702 2.109 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.448 2.624 -6.023 1.00 0.00 H new ATOM 1311 N LEU A 86 -5.479 4.571 -4.077 1.00 0.00 N ATOM 1312 CA LEU A 86 -6.875 4.805 -4.545 1.00 0.00 C ATOM 1313 C LEU A 86 -7.509 5.925 -3.717 1.00 0.00 C ATOM 1314 O LEU A 86 -8.648 6.295 -3.926 1.00 0.00 O ATOM 1315 CB LEU A 86 -7.691 3.522 -4.377 1.00 0.00 C ATOM 1316 CG LEU A 86 -7.431 2.593 -5.563 1.00 0.00 C ATOM 1317 CD1 LEU A 86 -7.944 1.190 -5.234 1.00 0.00 C ATOM 1318 CD2 LEU A 86 -8.162 3.126 -6.798 1.00 0.00 C ATOM 0 H LEU A 86 -5.351 3.752 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.863 5.092 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.419 3.025 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.753 3.760 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.360 2.551 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.759 0.527 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.425 0.810 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.015 1.232 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.977 2.464 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.233 3.168 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.798 4.126 -7.033 1.00 0.00 H new ATOM 1330 N ARG A 87 -6.782 6.468 -2.779 1.00 0.00 N ATOM 1331 CA ARG A 87 -7.345 7.563 -1.940 1.00 0.00 C ATOM 1332 C ARG A 87 -7.371 8.863 -2.748 1.00 0.00 C ATOM 1333 O ARG A 87 -8.317 9.622 -2.688 1.00 0.00 O ATOM 1334 CB ARG A 87 -6.473 7.753 -0.697 1.00 0.00 C ATOM 1335 CG ARG A 87 -7.111 8.800 0.218 1.00 0.00 C ATOM 1336 CD ARG A 87 -6.138 9.155 1.344 1.00 0.00 C ATOM 1337 NE ARG A 87 -4.826 9.551 0.760 1.00 0.00 N ATOM 1338 CZ ARG A 87 -3.946 10.174 1.496 1.00 0.00 C ATOM 1339 NH1 ARG A 87 -4.216 10.451 2.742 1.00 0.00 N ATOM 1340 NH2 ARG A 87 -2.796 10.519 0.985 1.00 0.00 N ATOM 0 H ARG A 87 -5.823 6.201 -2.558 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.359 7.303 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.367 6.807 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.471 8.070 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.363 9.693 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.042 8.415 0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.542 9.970 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.009 8.302 2.010 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.615 9.335 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.115 10.181 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.528 10.938 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.585 10.302 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.108 11.006 1.560 1.00 0.00 H new ATOM 1354 N ASN A 88 -6.340 9.122 -3.504 1.00 0.00 N ATOM 1355 CA ASN A 88 -6.307 10.372 -4.315 1.00 0.00 C ATOM 1356 C ASN A 88 -6.780 10.070 -5.738 1.00 0.00 C ATOM 1357 O ASN A 88 -7.873 10.431 -6.129 1.00 0.00 O ATOM 1358 CB ASN A 88 -4.877 10.916 -4.357 1.00 0.00 C ATOM 1359 CG ASN A 88 -4.191 10.651 -3.016 1.00 0.00 C ATOM 1360 OD1 ASN A 88 -4.318 9.581 -2.455 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -3.461 11.588 -2.475 1.00 0.00 N ATOM 0 H ASN A 88 -5.520 8.523 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.965 11.115 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.319 10.440 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.889 11.986 -4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.998 11.422 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.354 12.487 -2.946 1.00 0.00 H new ATOM 1368 N GLY A 89 -5.966 9.411 -6.517 1.00 0.00 N ATOM 1369 CA GLY A 89 -6.370 9.088 -7.915 1.00 0.00 C ATOM 1370 C GLY A 89 -6.357 10.364 -8.759 1.00 0.00 C ATOM 1371 O GLY A 89 -7.094 11.295 -8.506 1.00 0.00 O ATOM 0 H GLY A 89 -5.039 9.082 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.689 8.351 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.365 8.644 -7.924 1.00 0.00 H new ATOM 1375 N LYS A 90 -5.521 10.414 -9.761 1.00 0.00 N ATOM 1376 CA LYS A 90 -5.462 11.630 -10.620 1.00 0.00 C ATOM 1377 C LYS A 90 -5.236 12.863 -9.742 1.00 0.00 C ATOM 1378 O LYS A 90 -6.039 13.774 -9.718 1.00 0.00 O ATOM 1379 CB LYS A 90 -6.779 11.782 -11.383 1.00 0.00 C ATOM 1380 CG LYS A 90 -6.898 10.667 -12.424 1.00 0.00 C ATOM 1381 CD LYS A 90 -7.544 11.222 -13.695 1.00 0.00 C ATOM 1382 CE LYS A 90 -7.943 10.066 -14.615 1.00 0.00 C ATOM 1383 NZ LYS A 90 -9.408 10.127 -14.882 1.00 0.00 N ATOM 0 H LYS A 90 -4.878 9.666 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.641 11.533 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.620 11.739 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.818 12.756 -11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.912 10.261 -12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.497 9.847 -12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.421 11.816 -13.439 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.848 11.885 -14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.389 10.125 -15.552 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.686 9.113 -14.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.680 9.342 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.928 10.051 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.640 11.031 -15.341 1.00 0.00 H new