USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 922 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 20 ASN : amide:sc= 0.923 K(o=-1.3,f=-3.2) USER MOD Set 1.2: A 24 ASN : amide:sc= 0 X(o=-1.3,f=-1.1) USER MOD Set 1.3: A 28 TYR OH : rot 29:sc= -2.18 USER MOD Set 1.4: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.034) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -5.21! C(o=-5.2!,f=-6.6!) USER MOD Single : A 35 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.9!) USER MOD Single : A 38 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.00082) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 148:sc= -17.7! (180deg=-22.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -136:sc= -5.2! (180deg=-5.66!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= -1.01 (180deg=-1.01) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0881 K(o=-0.088,f=-1.7!) USER MOD Single : A 81 MET CE :methyl 171:sc= -12.6! (180deg=-13.9!) USER MOD Single : A 82 THR OG1 : rot 174:sc= 1.13 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 163:sc= -6.26! (180deg=-7.13!) USER MOD Single : A 91 GLN : amide:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 93 SER OG : rot -91:sc= -0.304 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.409! USER MOD Single : A 101 HIS : no HD1:sc= -5.05! C(o=-5.1!,f=-6.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.456 -9.634 11.839 1.00 0.00 N ATOM 50 CA GLU A 4 -4.372 -8.702 10.727 1.00 0.00 C ATOM 51 C GLU A 4 -3.105 -7.853 10.840 1.00 0.00 C ATOM 52 O GLU A 4 -2.687 -7.497 11.941 1.00 0.00 O ATOM 53 CB GLU A 4 -5.620 -7.819 10.657 1.00 0.00 C ATOM 54 CG GLU A 4 -5.537 -6.845 9.480 1.00 0.00 C ATOM 55 CD GLU A 4 -6.491 -5.665 9.676 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.120 -4.758 10.451 1.00 0.00 O ATOM 57 OE2 GLU A 4 -7.570 -5.698 9.046 1.00 0.00 O ATOM 0 HA GLU A 4 -4.320 -9.275 9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.507 -8.444 10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.728 -7.262 11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.516 -6.478 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.782 -7.366 8.554 1.00 0.00 H new ATOM 64 N LYS A 5 -2.527 -7.552 9.686 1.00 0.00 N ATOM 65 CA LYS A 5 -1.316 -6.751 9.641 1.00 0.00 C ATOM 66 C LYS A 5 -1.348 -5.854 8.403 1.00 0.00 C ATOM 67 O LYS A 5 -2.092 -6.118 7.460 1.00 0.00 O ATOM 68 CB LYS A 5 -0.078 -7.647 9.720 1.00 0.00 C ATOM 69 CG LYS A 5 0.243 -8.013 11.170 1.00 0.00 C ATOM 70 CD LYS A 5 0.353 -9.529 11.342 1.00 0.00 C ATOM 71 CE LYS A 5 1.769 -9.932 11.761 1.00 0.00 C ATOM 72 NZ LYS A 5 1.839 -10.132 13.226 1.00 0.00 N ATOM 0 H LYS A 5 -2.876 -7.849 8.775 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.262 -6.094 10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.244 -8.555 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.775 -7.135 9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.179 -7.541 11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.535 -7.624 11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.362 -9.866 12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.092 -10.025 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.059 -10.849 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.477 -9.161 11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.806 -10.405 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.583 -9.248 13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.177 -10.884 13.506 1.00 0.00 H new ATOM 86 N ILE A 6 -0.531 -4.811 8.445 1.00 0.00 N ATOM 87 CA ILE A 6 -0.457 -3.874 7.337 1.00 0.00 C ATOM 88 C ILE A 6 0.789 -3.001 7.497 1.00 0.00 C ATOM 89 O ILE A 6 1.216 -2.720 8.616 1.00 0.00 O ATOM 90 CB ILE A 6 -1.757 -3.075 7.224 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.589 -3.549 6.031 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.474 -1.572 7.164 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.067 -3.674 6.408 1.00 0.00 C ATOM 0 H ILE A 6 0.085 -4.595 9.229 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.354 -4.408 6.392 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.348 -3.256 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.479 -2.847 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.216 -4.512 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.415 -1.028 7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.952 -1.264 8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.853 -1.353 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.636 -4.012 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.176 -4.395 7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.443 -2.704 6.732 1.00 0.00 H new ATOM 105 N LEU A 7 1.338 -2.595 6.361 1.00 0.00 N ATOM 106 CA LEU A 7 2.527 -1.760 6.361 1.00 0.00 C ATOM 107 C LEU A 7 2.318 -0.583 5.406 1.00 0.00 C ATOM 108 O LEU A 7 1.671 -0.727 4.370 1.00 0.00 O ATOM 109 CB LEU A 7 3.769 -2.596 6.043 1.00 0.00 C ATOM 110 CG LEU A 7 4.968 -2.394 6.972 1.00 0.00 C ATOM 111 CD1 LEU A 7 5.039 -3.502 8.024 1.00 0.00 C ATOM 112 CD2 LEU A 7 6.268 -2.279 6.172 1.00 0.00 C ATOM 0 H LEU A 7 0.981 -2.829 5.435 1.00 0.00 H new ATOM 0 HA LEU A 7 2.698 -1.341 7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.490 -3.649 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.082 -2.372 5.023 1.00 0.00 H new ATOM 0 HG LEU A 7 4.833 -1.453 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.900 -3.335 8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.128 -3.494 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.140 -4.468 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.105 -2.136 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.422 -3.191 5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.204 -1.428 5.494 1.00 0.00 H new ATOM 124 N ILE A 8 2.877 0.555 5.790 1.00 0.00 N ATOM 125 CA ILE A 8 2.759 1.757 4.981 1.00 0.00 C ATOM 126 C ILE A 8 4.152 2.200 4.529 1.00 0.00 C ATOM 127 O ILE A 8 5.106 2.148 5.304 1.00 0.00 O ATOM 128 CB ILE A 8 1.985 2.838 5.738 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.528 2.422 5.951 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.097 4.190 5.029 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.038 3.043 7.230 1.00 0.00 C ATOM 0 H ILE A 8 3.413 0.671 6.650 1.00 0.00 H new ATOM 0 HA ILE A 8 2.180 1.555 4.080 1.00 0.00 H new ATOM 0 HB ILE A 8 2.435 2.953 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.072 2.733 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.461 1.336 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.538 4.941 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.145 4.485 4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.688 4.108 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.075 2.732 7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.549 2.711 8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.008 4.130 7.158 1.00 0.00 H new ATOM 143 N VAL A 9 4.225 2.626 3.277 1.00 0.00 N ATOM 144 CA VAL A 9 5.485 3.079 2.712 1.00 0.00 C ATOM 145 C VAL A 9 5.267 4.410 1.990 1.00 0.00 C ATOM 146 O VAL A 9 4.365 4.530 1.162 1.00 0.00 O ATOM 147 CB VAL A 9 6.071 1.995 1.805 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.486 2.363 1.355 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.053 0.631 2.498 1.00 0.00 C ATOM 0 H VAL A 9 3.432 2.667 2.637 1.00 0.00 H new ATOM 0 HA VAL A 9 6.216 3.254 3.501 1.00 0.00 H new ATOM 0 HB VAL A 9 5.444 1.927 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.879 1.576 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.460 3.303 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.129 2.473 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.475 -0.121 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.645 0.679 3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.026 0.362 2.745 1.00 0.00 H new ATOM 159 N ASP A 10 6.108 5.375 2.330 1.00 0.00 N ATOM 160 CA ASP A 10 6.019 6.693 1.724 1.00 0.00 C ATOM 161 C ASP A 10 4.561 7.159 1.739 1.00 0.00 C ATOM 162 O ASP A 10 3.696 6.483 2.294 1.00 0.00 O ATOM 163 CB ASP A 10 6.490 6.663 0.269 1.00 0.00 C ATOM 164 CG ASP A 10 7.691 7.560 -0.040 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.816 7.141 0.306 1.00 0.00 O ATOM 166 OD2 ASP A 10 7.456 8.644 -0.616 1.00 0.00 O ATOM 0 H ASP A 10 6.854 5.271 3.017 1.00 0.00 H new ATOM 0 HA ASP A 10 6.654 7.370 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.745 5.636 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.660 6.959 -0.372 1.00 0.00 H new ATOM 171 N ASP A 11 4.335 8.310 1.123 1.00 0.00 N ATOM 172 CA ASP A 11 2.997 8.873 1.059 1.00 0.00 C ATOM 173 C ASP A 11 2.538 9.247 2.470 1.00 0.00 C ATOM 174 O ASP A 11 1.382 9.614 2.673 1.00 0.00 O ATOM 175 CB ASP A 11 2.000 7.863 0.489 1.00 0.00 C ATOM 176 CG ASP A 11 0.795 8.476 -0.227 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.024 9.412 -1.023 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.328 7.995 0.038 1.00 0.00 O ATOM 0 H ASP A 11 5.055 8.868 0.664 1.00 0.00 H new ATOM 0 HA ASP A 11 3.031 9.749 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.525 7.211 -0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.639 7.234 1.302 1.00 0.00 H new ATOM 183 N GLN A 12 3.467 9.140 3.408 1.00 0.00 N ATOM 184 CA GLN A 12 3.171 9.461 4.794 1.00 0.00 C ATOM 185 C GLN A 12 3.162 10.978 4.996 1.00 0.00 C ATOM 186 O GLN A 12 4.201 11.628 4.894 1.00 0.00 O ATOM 187 CB GLN A 12 4.170 8.788 5.738 1.00 0.00 C ATOM 188 CG GLN A 12 5.597 8.903 5.199 1.00 0.00 C ATOM 189 CD GLN A 12 6.606 9.035 6.342 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.497 8.219 6.514 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.417 10.103 7.110 1.00 0.00 N ATOM 0 H GLN A 12 4.425 8.836 3.236 1.00 0.00 H new ATOM 0 HA GLN A 12 2.180 9.076 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.112 9.249 6.724 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.908 7.737 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.835 8.025 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.672 9.769 4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.651 10.746 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.038 10.280 7.900 1.00 0.00 H new ATOM 200 N TYR A 13 1.977 11.498 5.279 1.00 0.00 N ATOM 201 CA TYR A 13 1.818 12.925 5.497 1.00 0.00 C ATOM 202 C TYR A 13 0.618 13.213 6.401 1.00 0.00 C ATOM 203 O TYR A 13 0.012 14.279 6.314 1.00 0.00 O ATOM 204 CB TYR A 13 1.560 13.536 4.118 1.00 0.00 C ATOM 205 CG TYR A 13 2.394 14.785 3.825 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.201 15.933 4.567 1.00 0.00 C ATOM 207 CD2 TYR A 13 3.338 14.765 2.818 1.00 0.00 C ATOM 208 CE1 TYR A 13 2.986 17.109 4.291 1.00 0.00 C ATOM 209 CE2 TYR A 13 4.122 15.941 2.543 1.00 0.00 C ATOM 210 CZ TYR A 13 3.907 17.054 3.293 1.00 0.00 C ATOM 211 OH TYR A 13 4.648 18.165 3.032 1.00 0.00 O ATOM 0 H TYR A 13 1.117 10.956 5.362 1.00 0.00 H new ATOM 0 HA TYR A 13 2.703 13.339 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.767 12.786 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.503 13.790 4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.462 15.949 5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.488 13.867 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.846 18.014 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.864 15.939 1.758 1.00 0.00 H new ATOM 0 HH TYR A 13 5.266 17.980 2.294 1.00 0.00 H new ATOM 221 N GLY A 14 0.311 12.242 7.249 1.00 0.00 N ATOM 222 CA GLY A 14 -0.806 12.377 8.169 1.00 0.00 C ATOM 223 C GLY A 14 -1.980 11.496 7.738 1.00 0.00 C ATOM 224 O GLY A 14 -2.951 11.343 8.478 1.00 0.00 O ATOM 0 H GLY A 14 0.816 11.359 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.489 12.101 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.124 13.419 8.210 1.00 0.00 H new ATOM 228 N ILE A 15 -1.853 10.939 6.542 1.00 0.00 N ATOM 229 CA ILE A 15 -2.892 10.077 6.004 1.00 0.00 C ATOM 230 C ILE A 15 -2.666 8.646 6.495 1.00 0.00 C ATOM 231 O ILE A 15 -3.616 7.951 6.854 1.00 0.00 O ATOM 232 CB ILE A 15 -2.956 10.202 4.480 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.595 11.528 4.065 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.674 9.001 3.861 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.531 12.538 3.630 1.00 0.00 C ATOM 0 H ILE A 15 -1.047 11.068 5.931 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.871 10.388 6.367 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.937 10.201 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.296 11.358 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.169 11.935 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.706 9.115 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.138 8.086 4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.691 8.945 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.013 13.472 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.846 12.724 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.975 12.138 2.782 1.00 0.00 H new ATOM 247 N ARG A 16 -1.403 8.246 6.495 1.00 0.00 N ATOM 248 CA ARG A 16 -1.041 6.910 6.935 1.00 0.00 C ATOM 249 C ARG A 16 -1.730 6.583 8.262 1.00 0.00 C ATOM 250 O ARG A 16 -2.160 5.451 8.480 1.00 0.00 O ATOM 251 CB ARG A 16 0.474 6.780 7.110 1.00 0.00 C ATOM 252 CG ARG A 16 1.056 8.018 7.794 1.00 0.00 C ATOM 253 CD ARG A 16 2.457 7.736 8.340 1.00 0.00 C ATOM 254 NE ARG A 16 2.369 7.268 9.741 1.00 0.00 N ATOM 255 CZ ARG A 16 3.411 7.214 10.582 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.626 7.599 10.168 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.238 6.775 11.836 1.00 0.00 N ATOM 0 H ARG A 16 -0.617 8.824 6.197 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.369 6.208 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.700 5.893 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.945 6.643 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.098 8.844 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.401 8.330 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.951 6.982 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.066 8.639 8.287 1.00 0.00 H new ATOM 0 HE ARG A 16 1.458 6.968 10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.757 7.933 9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.419 7.558 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.313 6.482 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.031 6.734 12.476 1.00 0.00 H new ATOM 271 N ILE A 17 -1.814 7.595 9.113 1.00 0.00 N ATOM 272 CA ILE A 17 -2.444 7.429 10.412 1.00 0.00 C ATOM 273 C ILE A 17 -3.959 7.316 10.229 1.00 0.00 C ATOM 274 O ILE A 17 -4.593 6.433 10.804 1.00 0.00 O ATOM 275 CB ILE A 17 -2.022 8.554 11.359 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.500 8.600 11.513 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.730 8.428 12.710 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.027 10.011 11.863 1.00 0.00 C ATOM 0 H ILE A 17 -1.457 8.532 8.929 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.109 6.504 10.882 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.330 9.503 10.920 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.189 7.904 12.292 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.027 8.273 10.587 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.412 9.240 13.364 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.809 8.482 12.562 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.474 7.472 13.167 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.058 10.016 11.967 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.319 10.700 11.070 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.483 10.325 12.802 1.00 0.00 H new ATOM 290 N LEU A 18 -4.495 8.222 9.424 1.00 0.00 N ATOM 291 CA LEU A 18 -5.923 8.235 9.158 1.00 0.00 C ATOM 292 C LEU A 18 -6.408 6.802 8.931 1.00 0.00 C ATOM 293 O LEU A 18 -7.324 6.338 9.609 1.00 0.00 O ATOM 294 CB LEU A 18 -6.244 9.183 8.001 1.00 0.00 C ATOM 295 CG LEU A 18 -7.661 9.760 7.979 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.661 11.195 7.448 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.609 8.856 7.189 1.00 0.00 C ATOM 0 H LEU A 18 -3.966 8.952 8.947 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.467 8.624 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.536 10.011 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.075 8.651 7.065 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.031 9.796 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.680 11.581 7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.039 11.820 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.263 11.207 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.609 9.289 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.253 8.764 6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.641 7.870 7.652 1.00 0.00 H new ATOM 309 N LEU A 19 -5.773 6.140 7.975 1.00 0.00 N ATOM 310 CA LEU A 19 -6.128 4.769 7.651 1.00 0.00 C ATOM 311 C LEU A 19 -5.643 3.843 8.768 1.00 0.00 C ATOM 312 O LEU A 19 -6.173 2.747 8.945 1.00 0.00 O ATOM 313 CB LEU A 19 -5.598 4.392 6.266 1.00 0.00 C ATOM 314 CG LEU A 19 -4.076 4.392 6.108 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.474 3.070 6.588 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.675 4.715 4.667 1.00 0.00 C ATOM 0 H LEU A 19 -5.014 6.528 7.414 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.211 4.659 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.970 3.399 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.019 5.084 5.537 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.667 5.180 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.391 3.097 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.716 2.921 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.886 2.249 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.588 4.709 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.096 3.967 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.055 5.700 4.396 1.00 0.00 H new ATOM 328 N ASN A 20 -4.642 4.318 9.494 1.00 0.00 N ATOM 329 CA ASN A 20 -4.080 3.546 10.589 1.00 0.00 C ATOM 330 C ASN A 20 -5.143 3.359 11.674 1.00 0.00 C ATOM 331 O ASN A 20 -5.535 2.233 11.976 1.00 0.00 O ATOM 332 CB ASN A 20 -2.886 4.269 11.217 1.00 0.00 C ATOM 333 CG ASN A 20 -2.144 3.355 12.194 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.441 2.180 12.334 1.00 0.00 O ATOM 335 ND2 ASN A 20 -1.163 3.959 12.860 1.00 0.00 N ATOM 0 H ASN A 20 -4.206 5.228 9.345 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.752 2.586 10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.204 4.600 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.230 5.162 11.739 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.607 3.435 13.536 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.967 4.946 12.695 1.00 0.00 H new ATOM 342 N GLU A 21 -5.578 4.480 12.230 1.00 0.00 N ATOM 343 CA GLU A 21 -6.588 4.454 13.274 1.00 0.00 C ATOM 344 C GLU A 21 -7.779 3.597 12.840 1.00 0.00 C ATOM 345 O GLU A 21 -8.450 2.991 13.674 1.00 0.00 O ATOM 346 CB GLU A 21 -7.036 5.871 13.640 1.00 0.00 C ATOM 347 CG GLU A 21 -8.270 5.840 14.544 1.00 0.00 C ATOM 348 CD GLU A 21 -8.642 7.248 15.012 1.00 0.00 C ATOM 349 OE1 GLU A 21 -9.282 7.962 14.210 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.279 7.578 16.162 1.00 0.00 O ATOM 0 H GLU A 21 -5.250 5.412 11.977 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.149 4.006 14.165 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.224 6.394 14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.260 6.431 12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.109 5.398 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.076 5.205 15.408 1.00 0.00 H new ATOM 357 N VAL A 22 -8.006 3.574 11.534 1.00 0.00 N ATOM 358 CA VAL A 22 -9.104 2.802 10.979 1.00 0.00 C ATOM 359 C VAL A 22 -8.863 1.315 11.246 1.00 0.00 C ATOM 360 O VAL A 22 -9.727 0.630 11.792 1.00 0.00 O ATOM 361 CB VAL A 22 -9.270 3.123 9.492 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.892 1.942 8.743 1.00 0.00 C ATOM 363 CG2 VAL A 22 -10.097 4.395 9.295 1.00 0.00 C ATOM 0 H VAL A 22 -7.448 4.078 10.845 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.043 3.071 11.463 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.279 3.300 9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.999 2.196 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.248 1.068 8.842 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.872 1.720 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.200 4.601 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.085 4.259 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.596 5.233 9.780 1.00 0.00 H new ATOM 373 N PHE A 23 -7.683 0.859 10.850 1.00 0.00 N ATOM 374 CA PHE A 23 -7.317 -0.534 11.040 1.00 0.00 C ATOM 375 C PHE A 23 -6.816 -0.780 12.465 1.00 0.00 C ATOM 376 O PHE A 23 -6.896 -1.898 12.971 1.00 0.00 O ATOM 377 CB PHE A 23 -6.188 -0.839 10.054 1.00 0.00 C ATOM 378 CG PHE A 23 -6.663 -1.098 8.624 1.00 0.00 C ATOM 379 CD1 PHE A 23 -7.732 -1.909 8.399 1.00 0.00 C ATOM 380 CD2 PHE A 23 -6.018 -0.518 7.577 1.00 0.00 C ATOM 381 CE1 PHE A 23 -8.173 -2.150 7.071 1.00 0.00 C ATOM 382 CE2 PHE A 23 -6.459 -0.759 6.249 1.00 0.00 C ATOM 383 CZ PHE A 23 -7.528 -1.570 6.024 1.00 0.00 C ATOM 0 H PHE A 23 -6.968 1.430 10.398 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.185 -1.173 10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.489 -0.002 10.048 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.638 -1.711 10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.245 -2.369 9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.170 0.126 7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.021 -2.794 6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.946 -0.299 5.418 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.864 -1.753 5.014 1.00 0.00 H new ATOM 393 N ASN A 24 -6.309 0.283 13.071 1.00 0.00 N ATOM 394 CA ASN A 24 -5.794 0.197 14.427 1.00 0.00 C ATOM 395 C ASN A 24 -6.912 -0.263 15.364 1.00 0.00 C ATOM 396 O ASN A 24 -6.652 -0.923 16.369 1.00 0.00 O ATOM 397 CB ASN A 24 -5.298 1.560 14.915 1.00 0.00 C ATOM 398 CG ASN A 24 -4.078 1.406 15.825 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.941 1.385 15.383 1.00 0.00 O ATOM 400 ND2 ASN A 24 -4.376 1.299 17.117 1.00 0.00 N ATOM 0 H ASN A 24 -6.244 1.209 12.648 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.965 -0.510 14.429 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.042 2.185 14.060 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.096 2.070 15.454 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.631 1.192 17.805 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.350 1.324 17.420 1.00 0.00 H new ATOM 407 N LYS A 25 -8.132 0.103 15.002 1.00 0.00 N ATOM 408 CA LYS A 25 -9.291 -0.264 15.798 1.00 0.00 C ATOM 409 C LYS A 25 -9.278 -1.774 16.043 1.00 0.00 C ATOM 410 O LYS A 25 -9.915 -2.261 16.976 1.00 0.00 O ATOM 411 CB LYS A 25 -10.576 0.242 15.139 1.00 0.00 C ATOM 412 CG LYS A 25 -10.831 1.709 15.489 1.00 0.00 C ATOM 413 CD LYS A 25 -12.010 2.267 14.688 1.00 0.00 C ATOM 414 CE LYS A 25 -13.224 2.499 15.589 1.00 0.00 C ATOM 415 NZ LYS A 25 -14.473 2.144 14.878 1.00 0.00 N ATOM 0 H LYS A 25 -8.344 0.650 14.168 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.251 0.218 16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.503 0.130 14.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.420 -0.365 15.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.035 1.802 16.556 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.936 2.297 15.283 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.721 3.205 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.273 1.573 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.132 1.900 16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.260 3.543 15.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.287 2.307 15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.567 2.733 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.443 1.141 14.603 1.00 0.00 H new ATOM 429 N GLU A 26 -8.547 -2.474 15.188 1.00 0.00 N ATOM 430 CA GLU A 26 -8.443 -3.919 15.300 1.00 0.00 C ATOM 431 C GLU A 26 -7.262 -4.298 16.196 1.00 0.00 C ATOM 432 O GLU A 26 -7.223 -5.398 16.745 1.00 0.00 O ATOM 433 CB GLU A 26 -8.315 -4.568 13.920 1.00 0.00 C ATOM 434 CG GLU A 26 -9.691 -4.919 13.350 1.00 0.00 C ATOM 435 CD GLU A 26 -9.651 -6.255 12.606 1.00 0.00 C ATOM 436 OE1 GLU A 26 -8.990 -6.296 11.546 1.00 0.00 O ATOM 437 OE2 GLU A 26 -10.283 -7.207 13.114 1.00 0.00 O ATOM 0 H GLU A 26 -8.021 -2.067 14.415 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.357 -4.295 15.759 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.799 -3.889 13.241 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.707 -5.470 13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.421 -4.970 14.158 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.020 -4.131 12.673 1.00 0.00 H new ATOM 444 N GLY A 27 -6.328 -3.367 16.315 1.00 0.00 N ATOM 445 CA GLY A 27 -5.149 -3.590 17.135 1.00 0.00 C ATOM 446 C GLY A 27 -4.025 -4.229 16.317 1.00 0.00 C ATOM 447 O GLY A 27 -3.044 -4.715 16.878 1.00 0.00 O ATOM 0 H GLY A 27 -6.363 -2.456 15.857 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.807 -2.643 17.552 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.403 -4.235 17.976 1.00 0.00 H new ATOM 451 N TYR A 28 -4.206 -4.208 15.005 1.00 0.00 N ATOM 452 CA TYR A 28 -3.220 -4.780 14.104 1.00 0.00 C ATOM 453 C TYR A 28 -1.916 -3.981 14.141 1.00 0.00 C ATOM 454 O TYR A 28 -1.931 -2.771 14.363 1.00 0.00 O ATOM 455 CB TYR A 28 -3.824 -4.684 12.702 1.00 0.00 C ATOM 456 CG TYR A 28 -3.708 -3.296 12.068 1.00 0.00 C ATOM 457 CD1 TYR A 28 -3.852 -2.167 12.848 1.00 0.00 C ATOM 458 CD2 TYR A 28 -3.458 -3.174 10.716 1.00 0.00 C ATOM 459 CE1 TYR A 28 -3.743 -0.861 12.251 1.00 0.00 C ATOM 460 CE2 TYR A 28 -3.348 -1.868 10.119 1.00 0.00 C ATOM 461 CZ TYR A 28 -3.497 -0.776 10.916 1.00 0.00 C ATOM 462 OH TYR A 28 -3.393 0.457 10.352 1.00 0.00 O ATOM 0 H TYR A 28 -5.021 -3.804 14.544 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.988 -5.806 14.389 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.332 -5.410 12.055 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.877 -4.963 12.751 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.046 -2.263 13.906 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.345 -4.058 10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.854 0.031 12.850 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.152 -1.758 9.063 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.061 1.095 11.018 1.00 0.00 H new ATOM 472 N GLN A 29 -0.818 -4.689 13.919 1.00 0.00 N ATOM 473 CA GLN A 29 0.492 -4.061 13.924 1.00 0.00 C ATOM 474 C GLN A 29 0.767 -3.396 12.574 1.00 0.00 C ATOM 475 O GLN A 29 0.475 -3.969 11.525 1.00 0.00 O ATOM 476 CB GLN A 29 1.585 -5.075 14.269 1.00 0.00 C ATOM 477 CG GLN A 29 2.282 -4.705 15.579 1.00 0.00 C ATOM 478 CD GLN A 29 2.729 -5.958 16.335 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.800 -6.500 16.114 1.00 0.00 O ATOM 480 NE2 GLN A 29 1.851 -6.388 17.238 1.00 0.00 N ATOM 0 H GLN A 29 -0.809 -5.692 13.734 1.00 0.00 H new ATOM 0 HA GLN A 29 0.501 -3.290 14.695 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.149 -6.070 14.353 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.317 -5.115 13.462 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.146 -4.074 15.370 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.605 -4.121 16.203 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.972 -5.888 17.374 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.057 -7.218 17.795 1.00 0.00 H new ATOM 489 N THR A 30 1.324 -2.196 12.644 1.00 0.00 N ATOM 490 CA THR A 30 1.642 -1.448 11.440 1.00 0.00 C ATOM 491 C THR A 30 3.088 -0.951 11.486 1.00 0.00 C ATOM 492 O THR A 30 3.674 -0.836 12.561 1.00 0.00 O ATOM 493 CB THR A 30 0.617 -0.320 11.300 1.00 0.00 C ATOM 494 OG1 THR A 30 0.635 0.325 12.570 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.815 -0.844 11.168 1.00 0.00 C ATOM 0 H THR A 30 1.563 -1.723 13.516 1.00 0.00 H new ATOM 0 HA THR A 30 1.577 -2.079 10.554 1.00 0.00 H new ATOM 0 HB THR A 30 0.863 0.288 10.430 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.000 1.071 12.567 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.502 -0.004 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.891 -1.478 10.284 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.073 -1.424 12.054 1.00 0.00 H new ATOM 503 N PHE A 31 3.622 -0.671 10.306 1.00 0.00 N ATOM 504 CA PHE A 31 4.989 -0.189 10.199 1.00 0.00 C ATOM 505 C PHE A 31 5.145 0.756 9.006 1.00 0.00 C ATOM 506 O PHE A 31 4.450 0.614 8.001 1.00 0.00 O ATOM 507 CB PHE A 31 5.879 -1.415 9.982 1.00 0.00 C ATOM 508 CG PHE A 31 7.113 -1.454 10.886 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.102 -0.535 10.726 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.222 -2.410 11.848 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.248 -0.571 11.564 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.367 -2.446 12.686 1.00 0.00 C ATOM 513 CZ PHE A 31 9.356 -1.526 12.526 1.00 0.00 C ATOM 0 H PHE A 31 3.133 -0.769 9.416 1.00 0.00 H new ATOM 0 HA PHE A 31 5.262 0.359 11.101 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.288 -2.315 10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.202 -1.437 8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.016 0.223 9.961 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.437 -3.141 11.974 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.033 0.160 11.437 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.453 -3.204 13.451 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.227 -1.554 13.163 1.00 0.00 H new ATOM 523 N GLN A 32 6.061 1.701 9.157 1.00 0.00 N ATOM 524 CA GLN A 32 6.318 2.670 8.105 1.00 0.00 C ATOM 525 C GLN A 32 7.755 2.535 7.598 1.00 0.00 C ATOM 526 O GLN A 32 8.643 2.121 8.341 1.00 0.00 O ATOM 527 CB GLN A 32 6.038 4.093 8.590 1.00 0.00 C ATOM 528 CG GLN A 32 4.618 4.214 9.147 1.00 0.00 C ATOM 529 CD GLN A 32 4.641 4.550 10.640 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.577 5.140 11.155 1.00 0.00 O ATOM 531 NE2 GLN A 32 3.563 4.142 11.302 1.00 0.00 N ATOM 0 H GLN A 32 6.635 1.816 9.992 1.00 0.00 H new ATOM 0 HA GLN A 32 5.641 2.465 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.759 4.367 9.360 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.170 4.794 7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.076 4.988 8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.081 3.279 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.816 3.653 10.808 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.483 4.318 12.304 1.00 0.00 H new ATOM 540 N ALA A 33 7.939 2.894 6.336 1.00 0.00 N ATOM 541 CA ALA A 33 9.254 2.819 5.721 1.00 0.00 C ATOM 542 C ALA A 33 9.467 4.046 4.833 1.00 0.00 C ATOM 543 O ALA A 33 8.522 4.777 4.539 1.00 0.00 O ATOM 544 CB ALA A 33 9.379 1.507 4.943 1.00 0.00 C ATOM 0 H ALA A 33 7.200 3.237 5.723 1.00 0.00 H new ATOM 0 HA ALA A 33 10.035 2.823 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.365 1.450 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.248 0.666 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.613 1.469 4.168 1.00 0.00 H new ATOM 550 N ALA A 34 10.715 4.235 4.430 1.00 0.00 N ATOM 551 CA ALA A 34 11.065 5.361 3.581 1.00 0.00 C ATOM 552 C ALA A 34 11.784 4.849 2.331 1.00 0.00 C ATOM 553 O ALA A 34 12.794 5.415 1.916 1.00 0.00 O ATOM 554 CB ALA A 34 11.915 6.355 4.376 1.00 0.00 C ATOM 0 H ALA A 34 11.496 3.627 4.676 1.00 0.00 H new ATOM 0 HA ALA A 34 10.168 5.887 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.178 7.200 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.349 6.711 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.825 5.863 4.719 1.00 0.00 H new ATOM 560 N ASN A 35 11.235 3.783 1.767 1.00 0.00 N ATOM 561 CA ASN A 35 11.811 3.188 0.573 1.00 0.00 C ATOM 562 C ASN A 35 11.045 1.911 0.225 1.00 0.00 C ATOM 563 O ASN A 35 10.088 1.551 0.908 1.00 0.00 O ATOM 564 CB ASN A 35 13.278 2.813 0.797 1.00 0.00 C ATOM 565 CG ASN A 35 14.210 3.893 0.245 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.861 4.658 -0.639 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.412 3.912 0.814 1.00 0.00 N ATOM 0 H ASN A 35 10.397 3.316 2.115 1.00 0.00 H new ATOM 0 HA ASN A 35 11.744 3.918 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.464 2.677 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.492 1.860 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.107 4.596 0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.639 3.242 1.549 1.00 0.00 H new ATOM 574 N GLY A 36 11.495 1.260 -0.838 1.00 0.00 N ATOM 575 CA GLY A 36 10.863 0.031 -1.286 1.00 0.00 C ATOM 576 C GLY A 36 11.468 -1.185 -0.580 1.00 0.00 C ATOM 577 O GLY A 36 10.741 -2.051 -0.095 1.00 0.00 O ATOM 0 H GLY A 36 12.290 1.561 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.792 0.075 -1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.984 -0.072 -2.364 1.00 0.00 H new ATOM 581 N LEU A 37 12.792 -1.210 -0.545 1.00 0.00 N ATOM 582 CA LEU A 37 13.503 -2.305 0.093 1.00 0.00 C ATOM 583 C LEU A 37 13.136 -2.349 1.578 1.00 0.00 C ATOM 584 O LEU A 37 12.673 -3.374 2.076 1.00 0.00 O ATOM 585 CB LEU A 37 15.006 -2.191 -0.165 1.00 0.00 C ATOM 586 CG LEU A 37 15.681 -3.429 -0.760 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.015 -3.065 -1.416 1.00 0.00 C ATOM 588 CD2 LEU A 37 15.841 -4.526 0.294 1.00 0.00 C ATOM 0 H LEU A 37 13.391 -0.490 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 37 13.200 -3.259 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.176 -1.350 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.499 -1.950 0.777 1.00 0.00 H new ATOM 0 HG LEU A 37 15.035 -3.827 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.473 -3.963 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.843 -2.343 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.680 -2.629 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.323 -5.394 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.454 -4.155 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.860 -4.812 0.674 1.00 0.00 H new ATOM 600 N GLN A 38 13.355 -1.224 2.242 1.00 0.00 N ATOM 601 CA GLN A 38 13.053 -1.122 3.660 1.00 0.00 C ATOM 602 C GLN A 38 11.651 -1.663 3.945 1.00 0.00 C ATOM 603 O GLN A 38 11.369 -2.113 5.054 1.00 0.00 O ATOM 604 CB GLN A 38 13.193 0.322 4.147 1.00 0.00 C ATOM 605 CG GLN A 38 14.367 0.462 5.118 1.00 0.00 C ATOM 606 CD GLN A 38 14.248 1.747 5.940 1.00 0.00 C ATOM 607 OE1 GLN A 38 13.341 1.924 6.736 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.213 2.632 5.703 1.00 0.00 N ATOM 0 H GLN A 38 13.738 -0.375 1.825 1.00 0.00 H new ATOM 0 HA GLN A 38 13.773 -1.728 4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.341 0.984 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.271 0.635 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.396 -0.399 5.785 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.305 0.467 4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.943 2.420 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.223 3.522 6.201 1.00 0.00 H new ATOM 617 N ALA A 39 10.809 -1.602 2.923 1.00 0.00 N ATOM 618 CA ALA A 39 9.443 -2.081 3.050 1.00 0.00 C ATOM 619 C ALA A 39 9.412 -3.592 2.810 1.00 0.00 C ATOM 620 O ALA A 39 8.627 -4.306 3.430 1.00 0.00 O ATOM 621 CB ALA A 39 8.542 -1.318 2.076 1.00 0.00 C ATOM 0 H ALA A 39 11.047 -1.228 2.004 1.00 0.00 H new ATOM 0 HA ALA A 39 9.065 -1.899 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.517 -1.677 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.576 -0.253 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.890 -1.480 1.056 1.00 0.00 H new ATOM 627 N LEU A 40 10.277 -4.033 1.909 1.00 0.00 N ATOM 628 CA LEU A 40 10.359 -5.446 1.579 1.00 0.00 C ATOM 629 C LEU A 40 10.878 -6.219 2.794 1.00 0.00 C ATOM 630 O LEU A 40 10.328 -7.259 3.153 1.00 0.00 O ATOM 631 CB LEU A 40 11.196 -5.654 0.315 1.00 0.00 C ATOM 632 CG LEU A 40 10.521 -5.275 -1.005 1.00 0.00 C ATOM 633 CD1 LEU A 40 11.276 -5.869 -2.196 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.045 -5.679 -1.002 1.00 0.00 C ATOM 0 H LEU A 40 10.927 -3.437 1.397 1.00 0.00 H new ATOM 0 HA LEU A 40 9.370 -5.841 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.114 -5.074 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.486 -6.703 0.264 1.00 0.00 H new ATOM 0 HG LEU A 40 10.557 -4.191 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.776 -5.585 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.298 -5.490 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.292 -6.956 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.589 -5.398 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.963 -6.757 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.530 -5.170 -0.188 1.00 0.00 H new ATOM 646 N ASP A 41 11.930 -5.681 3.392 1.00 0.00 N ATOM 647 CA ASP A 41 12.529 -6.307 4.559 1.00 0.00 C ATOM 648 C ASP A 41 11.504 -6.346 5.694 1.00 0.00 C ATOM 649 O ASP A 41 11.262 -7.399 6.281 1.00 0.00 O ATOM 650 CB ASP A 41 13.745 -5.516 5.046 1.00 0.00 C ATOM 651 CG ASP A 41 15.054 -6.306 5.092 1.00 0.00 C ATOM 652 OD1 ASP A 41 15.263 -6.998 6.111 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.816 -6.200 4.107 1.00 0.00 O ATOM 0 H ASP A 41 12.383 -4.818 3.091 1.00 0.00 H new ATOM 0 HA ASP A 41 12.842 -7.313 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.882 -4.652 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.534 -5.133 6.044 1.00 0.00 H new ATOM 658 N ILE A 42 10.929 -5.185 5.969 1.00 0.00 N ATOM 659 CA ILE A 42 9.936 -5.072 7.024 1.00 0.00 C ATOM 660 C ILE A 42 8.689 -5.867 6.631 1.00 0.00 C ATOM 661 O ILE A 42 7.987 -6.394 7.492 1.00 0.00 O ATOM 662 CB ILE A 42 9.654 -3.602 7.340 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.846 -2.954 8.046 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.361 -3.453 8.143 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.386 -2.106 9.233 1.00 0.00 C ATOM 0 H ILE A 42 11.132 -4.313 5.479 1.00 0.00 H new ATOM 0 HA ILE A 42 10.313 -5.506 7.950 1.00 0.00 H new ATOM 0 HB ILE A 42 9.511 -3.071 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.533 -3.727 8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.396 -2.331 7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.184 -2.399 8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.527 -3.853 7.567 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.450 -4.001 9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.253 -1.657 9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.719 -1.319 8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.858 -2.737 9.948 1.00 0.00 H new ATOM 677 N VAL A 43 8.452 -5.929 5.329 1.00 0.00 N ATOM 678 CA VAL A 43 7.302 -6.651 4.811 1.00 0.00 C ATOM 679 C VAL A 43 7.300 -8.072 5.378 1.00 0.00 C ATOM 680 O VAL A 43 6.297 -8.522 5.929 1.00 0.00 O ATOM 681 CB VAL A 43 7.308 -6.617 3.281 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.878 -7.966 2.701 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.422 -5.486 2.754 1.00 0.00 C ATOM 0 H VAL A 43 9.037 -5.491 4.617 1.00 0.00 H new ATOM 0 HA VAL A 43 6.376 -6.173 5.129 1.00 0.00 H new ATOM 0 HB VAL A 43 8.329 -6.422 2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.891 -7.915 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.566 -8.742 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.870 -8.204 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.444 -5.484 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.398 -5.637 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.792 -4.531 3.126 1.00 0.00 H new ATOM 693 N THR A 44 8.434 -8.738 5.222 1.00 0.00 N ATOM 694 CA THR A 44 8.576 -10.099 5.711 1.00 0.00 C ATOM 695 C THR A 44 8.621 -10.114 7.240 1.00 0.00 C ATOM 696 O THR A 44 8.098 -11.031 7.871 1.00 0.00 O ATOM 697 CB THR A 44 9.819 -10.709 5.060 1.00 0.00 C ATOM 698 OG1 THR A 44 9.604 -10.527 3.663 1.00 0.00 O ATOM 699 CG2 THR A 44 9.885 -12.228 5.232 1.00 0.00 C ATOM 0 H THR A 44 9.264 -8.361 4.764 1.00 0.00 H new ATOM 0 HA THR A 44 7.716 -10.710 5.436 1.00 0.00 H new ATOM 0 HB THR A 44 10.713 -10.256 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.364 -10.893 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.786 -12.610 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.908 -12.473 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.008 -12.685 4.773 1.00 0.00 H new ATOM 707 N LYS A 45 9.252 -9.088 7.791 1.00 0.00 N ATOM 708 CA LYS A 45 9.373 -8.971 9.235 1.00 0.00 C ATOM 709 C LYS A 45 7.978 -8.857 9.851 1.00 0.00 C ATOM 710 O LYS A 45 7.640 -9.599 10.772 1.00 0.00 O ATOM 711 CB LYS A 45 10.305 -7.815 9.603 1.00 0.00 C ATOM 712 CG LYS A 45 11.463 -8.301 10.477 1.00 0.00 C ATOM 713 CD LYS A 45 11.690 -7.358 11.660 1.00 0.00 C ATOM 714 CE LYS A 45 13.135 -6.855 11.691 1.00 0.00 C ATOM 715 NZ LYS A 45 13.601 -6.703 13.088 1.00 0.00 N ATOM 0 H LYS A 45 9.685 -8.330 7.264 1.00 0.00 H new ATOM 0 HA LYS A 45 9.834 -9.866 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.697 -7.356 8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.744 -7.045 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.250 -9.305 10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.372 -8.366 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.008 -6.511 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.461 -7.876 12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.781 -7.554 11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.205 -5.899 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.583 -6.361 13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.995 -6.019 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.553 -7.622 13.572 1.00 0.00 H new ATOM 729 N GLU A 46 7.205 -7.921 9.319 1.00 0.00 N ATOM 730 CA GLU A 46 5.854 -7.700 9.805 1.00 0.00 C ATOM 731 C GLU A 46 4.869 -8.608 9.067 1.00 0.00 C ATOM 732 O GLU A 46 3.681 -8.629 9.384 1.00 0.00 O ATOM 733 CB GLU A 46 5.455 -6.230 9.666 1.00 0.00 C ATOM 734 CG GLU A 46 5.783 -5.449 10.940 1.00 0.00 C ATOM 735 CD GLU A 46 4.561 -4.677 11.441 1.00 0.00 C ATOM 736 OE1 GLU A 46 3.652 -4.454 10.612 1.00 0.00 O ATOM 737 OE2 GLU A 46 4.563 -4.327 12.641 1.00 0.00 O ATOM 0 H GLU A 46 7.489 -7.307 8.556 1.00 0.00 H new ATOM 0 HA GLU A 46 5.825 -7.951 10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.978 -5.786 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.388 -6.158 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.126 -6.136 11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.601 -4.755 10.745 1.00 0.00 H new ATOM 744 N ARG A 47 5.399 -9.337 8.096 1.00 0.00 N ATOM 745 CA ARG A 47 4.581 -10.245 7.310 1.00 0.00 C ATOM 746 C ARG A 47 3.116 -9.805 7.346 1.00 0.00 C ATOM 747 O ARG A 47 2.251 -10.550 7.805 1.00 0.00 O ATOM 748 CB ARG A 47 4.689 -11.678 7.834 1.00 0.00 C ATOM 749 CG ARG A 47 4.318 -11.749 9.317 1.00 0.00 C ATOM 750 CD ARG A 47 3.156 -12.718 9.546 1.00 0.00 C ATOM 751 NE ARG A 47 3.600 -14.108 9.295 1.00 0.00 N ATOM 752 CZ ARG A 47 2.911 -15.195 9.668 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.743 -15.060 10.311 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.390 -16.417 9.399 1.00 0.00 N ATOM 0 H ARG A 47 6.385 -9.317 7.836 1.00 0.00 H new ATOM 0 HA ARG A 47 4.947 -10.217 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.031 -12.330 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.705 -12.045 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.183 -12.070 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.044 -10.756 9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.789 -12.624 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.327 -12.467 8.885 1.00 0.00 H new ATOM 0 HE ARG A 47 4.485 -14.247 8.808 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.378 -14.130 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.219 -15.887 10.595 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.279 -16.520 8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.865 -17.244 9.683 1.00 0.00 H new ATOM 768 N PRO A 48 2.875 -8.565 6.841 1.00 0.00 N ATOM 769 CA PRO A 48 1.530 -8.018 6.811 1.00 0.00 C ATOM 770 C PRO A 48 0.698 -8.667 5.704 1.00 0.00 C ATOM 771 O PRO A 48 1.243 -9.314 4.811 1.00 0.00 O ATOM 772 CB PRO A 48 1.718 -6.522 6.614 1.00 0.00 C ATOM 773 CG PRO A 48 3.129 -6.347 6.077 1.00 0.00 C ATOM 774 CD PRO A 48 3.874 -7.655 6.288 1.00 0.00 C ATOM 0 HA PRO A 48 0.974 -8.219 7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.982 -6.124 5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.588 -5.985 7.554 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.105 -6.088 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.636 -5.532 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.280 -8.035 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.714 -7.527 6.971 1.00 0.00 H new ATOM 782 N ASP A 49 -0.609 -8.472 5.798 1.00 0.00 N ATOM 783 CA ASP A 49 -1.522 -9.031 4.815 1.00 0.00 C ATOM 784 C ASP A 49 -1.837 -7.971 3.757 1.00 0.00 C ATOM 785 O ASP A 49 -2.618 -8.218 2.840 1.00 0.00 O ATOM 786 CB ASP A 49 -2.840 -9.455 5.465 1.00 0.00 C ATOM 787 CG ASP A 49 -2.762 -10.724 6.317 1.00 0.00 C ATOM 788 OD1 ASP A 49 -1.779 -10.835 7.081 1.00 0.00 O ATOM 789 OD2 ASP A 49 -3.686 -11.555 6.184 1.00 0.00 O ATOM 0 H ASP A 49 -1.058 -7.935 6.540 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.043 -9.903 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.199 -8.637 6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.582 -9.607 4.681 1.00 0.00 H new ATOM 794 N LEU A 50 -1.212 -6.814 3.920 1.00 0.00 N ATOM 795 CA LEU A 50 -1.415 -5.716 2.991 1.00 0.00 C ATOM 796 C LEU A 50 -0.313 -4.674 3.190 1.00 0.00 C ATOM 797 O LEU A 50 0.134 -4.445 4.313 1.00 0.00 O ATOM 798 CB LEU A 50 -2.830 -5.150 3.132 1.00 0.00 C ATOM 799 CG LEU A 50 -3.527 -4.756 1.828 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.874 -5.992 0.996 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.757 -3.888 2.105 1.00 0.00 C ATOM 0 H LEU A 50 -0.564 -6.613 4.682 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.338 -6.068 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.447 -5.890 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.787 -4.273 3.777 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.834 -4.155 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.368 -5.683 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.961 -6.535 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.540 -6.639 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.234 -3.622 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.462 -4.443 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.452 -2.981 2.626 1.00 0.00 H new ATOM 813 N VAL A 51 0.093 -4.070 2.083 1.00 0.00 N ATOM 814 CA VAL A 51 1.135 -3.057 2.123 1.00 0.00 C ATOM 815 C VAL A 51 0.735 -1.886 1.223 1.00 0.00 C ATOM 816 O VAL A 51 0.163 -2.087 0.153 1.00 0.00 O ATOM 817 CB VAL A 51 2.480 -3.675 1.737 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.637 -2.743 2.104 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.658 -5.050 2.384 1.00 0.00 C ATOM 0 H VAL A 51 -0.280 -4.262 1.153 1.00 0.00 H new ATOM 0 HA VAL A 51 1.250 -2.666 3.134 1.00 0.00 H new ATOM 0 HB VAL A 51 2.488 -3.810 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.582 -3.206 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.523 -1.796 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.631 -2.562 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.622 -5.467 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.618 -4.950 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.860 -5.714 2.052 1.00 0.00 H new ATOM 829 N LEU A 52 1.052 -0.687 1.691 1.00 0.00 N ATOM 830 CA LEU A 52 0.734 0.517 0.942 1.00 0.00 C ATOM 831 C LEU A 52 2.027 1.267 0.616 1.00 0.00 C ATOM 832 O LEU A 52 2.727 1.725 1.518 1.00 0.00 O ATOM 833 CB LEU A 52 -0.294 1.361 1.698 1.00 0.00 C ATOM 834 CG LEU A 52 -0.222 2.872 1.464 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.598 3.519 1.640 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.834 3.517 2.364 1.00 0.00 C ATOM 0 H LEU A 52 1.526 -0.524 2.579 1.00 0.00 H new ATOM 0 HA LEU A 52 0.266 0.262 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.291 1.017 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.176 1.172 2.765 1.00 0.00 H new ATOM 0 HG LEU A 52 0.086 3.044 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.520 4.593 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.297 3.087 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.958 3.339 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.864 4.590 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.581 3.337 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.810 3.083 2.148 1.00 0.00 H new ATOM 848 N LEU A 53 2.304 1.369 -0.675 1.00 0.00 N ATOM 849 CA LEU A 53 3.501 2.055 -1.131 1.00 0.00 C ATOM 850 C LEU A 53 3.113 3.113 -2.167 1.00 0.00 C ATOM 851 O LEU A 53 2.167 2.923 -2.929 1.00 0.00 O ATOM 852 CB LEU A 53 4.536 1.049 -1.638 1.00 0.00 C ATOM 853 CG LEU A 53 5.847 1.640 -2.159 1.00 0.00 C ATOM 854 CD1 LEU A 53 7.002 0.651 -1.987 1.00 0.00 C ATOM 855 CD2 LEU A 53 5.702 2.104 -3.610 1.00 0.00 C ATOM 0 H LEU A 53 1.720 0.988 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 53 3.979 2.578 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.769 0.358 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.082 0.462 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 53 6.085 2.520 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.922 1.097 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.122 0.412 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.785 -0.261 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.649 2.520 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.428 1.256 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.926 2.867 -3.672 1.00 0.00 H new ATOM 867 N ASP A 54 3.865 4.205 -2.160 1.00 0.00 N ATOM 868 CA ASP A 54 3.611 5.293 -3.089 1.00 0.00 C ATOM 869 C ASP A 54 4.716 5.322 -4.147 1.00 0.00 C ATOM 870 O ASP A 54 5.900 5.334 -3.814 1.00 0.00 O ATOM 871 CB ASP A 54 3.611 6.643 -2.369 1.00 0.00 C ATOM 872 CG ASP A 54 4.432 7.739 -3.051 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.281 7.877 -4.284 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.191 8.415 -2.324 1.00 0.00 O ATOM 0 H ASP A 54 4.649 4.359 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 54 2.635 5.127 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.581 6.987 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.993 6.499 -1.359 1.00 0.00 H new ATOM 879 N MET A 55 4.290 5.331 -5.402 1.00 0.00 N ATOM 880 CA MET A 55 5.228 5.358 -6.511 1.00 0.00 C ATOM 881 C MET A 55 6.168 6.561 -6.405 1.00 0.00 C ATOM 882 O MET A 55 7.376 6.397 -6.242 1.00 0.00 O ATOM 883 CB MET A 55 4.457 5.427 -7.831 1.00 0.00 C ATOM 884 CG MET A 55 3.332 4.390 -7.863 1.00 0.00 C ATOM 885 SD MET A 55 3.916 2.835 -7.211 1.00 0.00 S ATOM 886 CE MET A 55 3.196 2.892 -5.579 1.00 0.00 C ATOM 0 H MET A 55 3.307 5.320 -5.675 1.00 0.00 H new ATOM 0 HA MET A 55 5.827 4.448 -6.477 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.040 6.426 -7.961 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.139 5.255 -8.664 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.484 4.744 -7.277 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.979 4.255 -8.886 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.954 1.881 -5.253 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.907 3.338 -4.883 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.287 3.493 -5.603 1.00 0.00 H new ATOM 896 N LYS A 56 5.577 7.743 -6.502 1.00 0.00 N ATOM 897 CA LYS A 56 6.346 8.973 -6.419 1.00 0.00 C ATOM 898 C LYS A 56 7.233 8.932 -5.173 1.00 0.00 C ATOM 899 O LYS A 56 6.739 9.043 -4.051 1.00 0.00 O ATOM 900 CB LYS A 56 5.420 10.189 -6.475 1.00 0.00 C ATOM 901 CG LYS A 56 4.838 10.371 -7.878 1.00 0.00 C ATOM 902 CD LYS A 56 5.650 11.391 -8.680 1.00 0.00 C ATOM 903 CE LYS A 56 4.818 11.976 -9.823 1.00 0.00 C ATOM 904 NZ LYS A 56 5.233 13.369 -10.104 1.00 0.00 N ATOM 0 H LYS A 56 4.575 7.875 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 56 7.009 9.066 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.611 10.068 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.972 11.084 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.832 9.414 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.802 10.701 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.985 12.193 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.544 10.914 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.939 11.366 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.760 11.951 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.659 13.752 -10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.095 13.951 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.237 13.384 -10.375 1.00 0.00 H new ATOM 918 N ILE A 57 8.526 8.772 -5.411 1.00 0.00 N ATOM 919 CA ILE A 57 9.486 8.715 -4.321 1.00 0.00 C ATOM 920 C ILE A 57 10.770 9.435 -4.740 1.00 0.00 C ATOM 921 O ILE A 57 11.174 9.366 -5.900 1.00 0.00 O ATOM 922 CB ILE A 57 9.709 7.267 -3.879 1.00 0.00 C ATOM 923 CG1 ILE A 57 8.427 6.666 -3.301 1.00 0.00 C ATOM 924 CG2 ILE A 57 10.881 7.167 -2.901 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.548 5.148 -3.158 1.00 0.00 C ATOM 0 H ILE A 57 8.932 8.680 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 57 9.099 9.236 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 57 9.972 6.678 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.219 7.111 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.584 6.908 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.018 6.128 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.789 7.529 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.672 7.773 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.623 4.747 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.731 4.704 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.376 4.910 -2.491 1.00 0.00 H new ATOM 937 N PRO A 58 11.391 10.126 -3.747 1.00 0.00 N ATOM 938 CA PRO A 58 12.620 10.858 -4.001 1.00 0.00 C ATOM 939 C PRO A 58 13.810 9.904 -4.128 1.00 0.00 C ATOM 940 O PRO A 58 14.045 9.078 -3.247 1.00 0.00 O ATOM 941 CB PRO A 58 12.753 11.821 -2.832 1.00 0.00 C ATOM 942 CG PRO A 58 11.850 11.275 -1.738 1.00 0.00 C ATOM 943 CD PRO A 58 10.941 10.229 -2.362 1.00 0.00 C ATOM 0 HA PRO A 58 12.599 11.400 -4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.787 11.881 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.453 12.829 -3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.444 10.835 -0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.260 12.077 -1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.025 9.273 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.895 10.530 -2.307 1.00 0.00 H new ATOM 951 N GLY A 59 14.529 10.050 -5.231 1.00 0.00 N ATOM 952 CA GLY A 59 15.688 9.212 -5.485 1.00 0.00 C ATOM 953 C GLY A 59 15.265 7.812 -5.934 1.00 0.00 C ATOM 954 O GLY A 59 14.976 6.951 -5.104 1.00 0.00 O ATOM 0 H GLY A 59 14.331 10.736 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.312 9.671 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.294 9.140 -4.582 1.00 0.00 H new ATOM 958 N MET A 60 15.242 7.627 -7.245 1.00 0.00 N ATOM 959 CA MET A 60 14.859 6.346 -7.814 1.00 0.00 C ATOM 960 C MET A 60 13.403 6.012 -7.481 1.00 0.00 C ATOM 961 O MET A 60 13.131 5.305 -6.512 1.00 0.00 O ATOM 962 CB MET A 60 15.773 5.249 -7.265 1.00 0.00 C ATOM 963 CG MET A 60 16.047 4.181 -8.325 1.00 0.00 C ATOM 964 SD MET A 60 16.226 2.583 -7.551 1.00 0.00 S ATOM 965 CE MET A 60 14.523 2.249 -7.133 1.00 0.00 C ATOM 0 H MET A 60 15.482 8.343 -7.930 1.00 0.00 H new ATOM 0 HA MET A 60 14.960 6.406 -8.898 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.714 5.687 -6.934 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.311 4.789 -6.392 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.230 4.155 -9.046 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.953 4.430 -8.878 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.468 1.850 -6.120 1.00 0.00 H new ATOM 0 HE2 MET A 60 13.946 3.172 -7.191 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.113 1.520 -7.832 1.00 0.00 H new ATOM 975 N ASP A 61 12.506 6.535 -8.304 1.00 0.00 N ATOM 976 CA ASP A 61 11.086 6.301 -8.110 1.00 0.00 C ATOM 977 C ASP A 61 10.848 4.810 -7.863 1.00 0.00 C ATOM 978 O ASP A 61 11.765 4.001 -7.996 1.00 0.00 O ATOM 979 CB ASP A 61 10.286 6.709 -9.348 1.00 0.00 C ATOM 980 CG ASP A 61 11.090 6.764 -10.649 1.00 0.00 C ATOM 981 OD1 ASP A 61 11.654 5.709 -11.011 1.00 0.00 O ATOM 982 OD2 ASP A 61 11.122 7.859 -11.250 1.00 0.00 O ATOM 0 H ASP A 61 12.736 7.120 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 61 10.760 6.897 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.462 6.007 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.844 7.689 -9.170 1.00 0.00 H new ATOM 987 N GLY A 62 9.612 4.491 -7.509 1.00 0.00 N ATOM 988 CA GLY A 62 9.242 3.112 -7.242 1.00 0.00 C ATOM 989 C GLY A 62 8.867 2.385 -8.536 1.00 0.00 C ATOM 990 O GLY A 62 8.525 1.204 -8.512 1.00 0.00 O ATOM 0 H GLY A 62 8.854 5.164 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.071 2.596 -6.758 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.401 3.085 -6.549 1.00 0.00 H new ATOM 994 N ILE A 63 8.945 3.122 -9.634 1.00 0.00 N ATOM 995 CA ILE A 63 8.618 2.562 -10.935 1.00 0.00 C ATOM 996 C ILE A 63 9.349 1.230 -11.110 1.00 0.00 C ATOM 997 O ILE A 63 8.789 0.276 -11.649 1.00 0.00 O ATOM 998 CB ILE A 63 8.912 3.575 -12.043 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.109 4.861 -11.838 1.00 0.00 C ATOM 1000 CG2 ILE A 63 8.670 2.963 -13.424 1.00 0.00 C ATOM 1001 CD1 ILE A 63 8.834 6.064 -12.445 1.00 0.00 C ATOM 0 H ILE A 63 9.230 4.101 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 63 7.551 2.352 -11.002 1.00 0.00 H new ATOM 0 HB ILE A 63 9.967 3.842 -11.989 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.125 4.756 -12.295 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.949 5.028 -10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.886 3.704 -14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.321 2.099 -13.559 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.629 2.649 -13.505 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.241 6.965 -12.285 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.807 6.181 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.971 5.905 -13.515 1.00 0.00 H new ATOM 1013 N GLU A 64 10.590 1.206 -10.646 1.00 0.00 N ATOM 1014 CA GLU A 64 11.403 0.006 -10.744 1.00 0.00 C ATOM 1015 C GLU A 64 11.160 -0.901 -9.536 1.00 0.00 C ATOM 1016 O GLU A 64 10.923 -2.097 -9.691 1.00 0.00 O ATOM 1017 CB GLU A 64 12.886 0.358 -10.877 1.00 0.00 C ATOM 1018 CG GLU A 64 13.110 1.375 -11.998 1.00 0.00 C ATOM 1019 CD GLU A 64 13.037 0.703 -13.370 1.00 0.00 C ATOM 1020 OE1 GLU A 64 13.663 -0.370 -13.510 1.00 0.00 O ATOM 1021 OE2 GLU A 64 12.358 1.277 -14.248 1.00 0.00 O ATOM 0 H GLU A 64 11.052 1.999 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 64 11.110 -0.535 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.253 0.764 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.461 -0.545 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.359 2.163 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.083 1.851 -11.873 1.00 0.00 H new ATOM 1028 N ILE A 65 11.229 -0.295 -8.359 1.00 0.00 N ATOM 1029 CA ILE A 65 11.020 -1.033 -7.125 1.00 0.00 C ATOM 1030 C ILE A 65 9.770 -1.906 -7.263 1.00 0.00 C ATOM 1031 O ILE A 65 9.853 -3.131 -7.190 1.00 0.00 O ATOM 1032 CB ILE A 65 10.974 -0.078 -5.931 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.170 0.875 -5.945 1.00 0.00 C ATOM 1034 CG2 ILE A 65 10.871 -0.850 -4.614 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.369 1.526 -4.574 1.00 0.00 C ATOM 0 H ILE A 65 11.427 0.698 -8.234 1.00 0.00 H new ATOM 0 HA ILE A 65 11.858 -1.703 -6.935 1.00 0.00 H new ATOM 0 HB ILE A 65 10.075 0.532 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.071 0.330 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.016 1.647 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.840 -0.147 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.962 -1.452 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.738 -1.502 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.226 2.199 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.476 2.090 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.547 0.753 -3.827 1.00 0.00 H new ATOM 1047 N LEU A 66 8.642 -1.240 -7.461 1.00 0.00 N ATOM 1048 CA LEU A 66 7.377 -1.940 -7.609 1.00 0.00 C ATOM 1049 C LEU A 66 7.500 -2.974 -8.731 1.00 0.00 C ATOM 1050 O LEU A 66 6.917 -4.054 -8.650 1.00 0.00 O ATOM 1051 CB LEU A 66 6.234 -0.943 -7.815 1.00 0.00 C ATOM 1052 CG LEU A 66 5.909 -0.042 -6.622 1.00 0.00 C ATOM 1053 CD1 LEU A 66 6.268 -0.727 -5.302 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.589 1.322 -6.764 1.00 0.00 C ATOM 0 H LEU A 66 8.577 -0.224 -7.522 1.00 0.00 H new ATOM 0 HA LEU A 66 7.134 -2.485 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.480 -0.310 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.335 -1.500 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 66 4.833 0.134 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.027 -0.064 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.699 -1.652 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.334 -0.953 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.342 1.943 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.669 1.186 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.241 1.809 -7.675 1.00 0.00 H new ATOM 1066 N LYS A 67 8.262 -2.606 -9.750 1.00 0.00 N ATOM 1067 CA LYS A 67 8.468 -3.488 -10.886 1.00 0.00 C ATOM 1068 C LYS A 67 9.155 -4.771 -10.412 1.00 0.00 C ATOM 1069 O LYS A 67 8.586 -5.857 -10.510 1.00 0.00 O ATOM 1070 CB LYS A 67 9.225 -2.761 -11.999 1.00 0.00 C ATOM 1071 CG LYS A 67 8.369 -2.651 -13.263 1.00 0.00 C ATOM 1072 CD LYS A 67 9.239 -2.705 -14.520 1.00 0.00 C ATOM 1073 CE LYS A 67 8.466 -3.304 -15.697 1.00 0.00 C ATOM 1074 NZ LYS A 67 9.313 -3.342 -16.909 1.00 0.00 N ATOM 0 H LYS A 67 8.744 -1.709 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 67 7.512 -3.779 -11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.509 -1.765 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.148 -3.296 -12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.641 -3.462 -13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.806 -1.718 -13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.577 -1.701 -14.776 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.130 -3.301 -14.324 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.134 -4.312 -15.446 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.571 -2.713 -15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.772 -3.751 -17.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.609 -2.376 -17.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.154 -3.925 -16.726 1.00 0.00 H new ATOM 1088 N ARG A 68 10.370 -4.602 -9.909 1.00 0.00 N ATOM 1089 CA ARG A 68 11.140 -5.733 -9.420 1.00 0.00 C ATOM 1090 C ARG A 68 10.330 -6.521 -8.389 1.00 0.00 C ATOM 1091 O ARG A 68 10.453 -7.742 -8.300 1.00 0.00 O ATOM 1092 CB ARG A 68 12.452 -5.270 -8.782 1.00 0.00 C ATOM 1093 CG ARG A 68 13.596 -5.302 -9.797 1.00 0.00 C ATOM 1094 CD ARG A 68 14.851 -4.635 -9.230 1.00 0.00 C ATOM 1095 NE ARG A 68 15.690 -5.640 -8.540 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.987 -5.465 -8.250 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.601 -4.324 -8.589 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.669 -6.432 -7.621 1.00 0.00 N ATOM 0 H ARG A 68 10.839 -3.700 -9.830 1.00 0.00 H new ATOM 0 HA ARG A 68 11.369 -6.372 -10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.334 -4.259 -8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.695 -5.911 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.819 -6.334 -10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.290 -4.793 -10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.418 -4.166 -10.034 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.570 -3.844 -8.534 1.00 0.00 H new ATOM 0 HE ARG A 68 15.254 -6.521 -8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.082 -3.588 -9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.588 -4.191 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.201 -7.301 -7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.656 -6.299 -7.400 1.00 0.00 H new ATOM 1112 N MET A 69 9.520 -5.791 -7.636 1.00 0.00 N ATOM 1113 CA MET A 69 8.690 -6.407 -6.615 1.00 0.00 C ATOM 1114 C MET A 69 7.807 -7.504 -7.214 1.00 0.00 C ATOM 1115 O MET A 69 7.822 -8.642 -6.748 1.00 0.00 O ATOM 1116 CB MET A 69 7.808 -5.341 -5.962 1.00 0.00 C ATOM 1117 CG MET A 69 8.100 -5.229 -4.464 1.00 0.00 C ATOM 1118 SD MET A 69 8.893 -3.670 -4.111 1.00 0.00 S ATOM 1119 CE MET A 69 7.679 -2.945 -3.021 1.00 0.00 C ATOM 0 H MET A 69 9.421 -4.779 -7.713 1.00 0.00 H new ATOM 0 HA MET A 69 9.342 -6.859 -5.868 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.980 -4.378 -6.442 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.758 -5.590 -6.114 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.173 -5.311 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.741 -6.052 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.018 -1.959 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.729 -2.850 -3.547 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.548 -3.583 -2.147 1.00 0.00 H new ATOM 1129 N LYS A 70 7.058 -7.122 -8.239 1.00 0.00 N ATOM 1130 CA LYS A 70 6.171 -8.059 -8.906 1.00 0.00 C ATOM 1131 C LYS A 70 7.002 -9.040 -9.736 1.00 0.00 C ATOM 1132 O LYS A 70 6.729 -10.239 -9.743 1.00 0.00 O ATOM 1133 CB LYS A 70 5.113 -7.309 -9.719 1.00 0.00 C ATOM 1134 CG LYS A 70 5.622 -6.999 -11.128 1.00 0.00 C ATOM 1135 CD LYS A 70 5.618 -8.255 -12.001 1.00 0.00 C ATOM 1136 CE LYS A 70 4.853 -8.015 -13.304 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.500 -8.735 -14.425 1.00 0.00 N ATOM 0 H LYS A 70 7.048 -6.177 -8.623 1.00 0.00 H new ATOM 0 HA LYS A 70 5.619 -8.648 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.204 -7.908 -9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.849 -6.381 -9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.996 -6.233 -11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.632 -6.594 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.643 -8.549 -12.226 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.162 -9.081 -11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.822 -8.351 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.819 -6.947 -13.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.968 -8.562 -15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.476 -8.395 -14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.510 -9.755 -14.223 1.00 0.00 H new ATOM 1151 N VAL A 71 8.000 -8.493 -10.415 1.00 0.00 N ATOM 1152 CA VAL A 71 8.872 -9.305 -11.246 1.00 0.00 C ATOM 1153 C VAL A 71 9.559 -10.361 -10.378 1.00 0.00 C ATOM 1154 O VAL A 71 9.861 -11.456 -10.849 1.00 0.00 O ATOM 1155 CB VAL A 71 9.862 -8.411 -11.996 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.664 -9.217 -13.019 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.143 -7.237 -12.664 1.00 0.00 C ATOM 0 H VAL A 71 8.224 -7.498 -10.406 1.00 0.00 H new ATOM 0 HA VAL A 71 8.294 -9.834 -12.004 1.00 0.00 H new ATOM 0 HB VAL A 71 10.563 -8.004 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.360 -8.557 -13.537 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.221 -10.002 -12.508 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.984 -9.667 -13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.869 -6.617 -13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.408 -7.617 -13.374 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.639 -6.639 -11.905 1.00 0.00 H new ATOM 1167 N ILE A 72 9.787 -9.994 -9.125 1.00 0.00 N ATOM 1168 CA ILE A 72 10.432 -10.896 -8.187 1.00 0.00 C ATOM 1169 C ILE A 72 9.448 -11.994 -7.782 1.00 0.00 C ATOM 1170 O ILE A 72 9.767 -13.180 -7.862 1.00 0.00 O ATOM 1171 CB ILE A 72 11.005 -10.116 -7.001 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.353 -9.487 -7.358 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.096 -11.000 -5.756 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.458 -10.545 -7.400 1.00 0.00 C ATOM 0 H ILE A 72 9.536 -9.084 -8.738 1.00 0.00 H new ATOM 0 HA ILE A 72 11.283 -11.388 -8.657 1.00 0.00 H new ATOM 0 HB ILE A 72 10.322 -9.300 -6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.282 -8.991 -8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.606 -8.721 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.506 -10.422 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.101 -11.358 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.745 -11.851 -5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.406 -10.071 -7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.543 -11.022 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.214 -11.297 -8.151 1.00 0.00 H new ATOM 1186 N ASP A 73 8.270 -11.562 -7.356 1.00 0.00 N ATOM 1187 CA ASP A 73 7.236 -12.494 -6.939 1.00 0.00 C ATOM 1188 C ASP A 73 5.872 -11.974 -7.395 1.00 0.00 C ATOM 1189 O ASP A 73 5.716 -10.784 -7.666 1.00 0.00 O ATOM 1190 CB ASP A 73 7.204 -12.634 -5.416 1.00 0.00 C ATOM 1191 CG ASP A 73 7.753 -13.956 -4.876 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.068 -14.981 -5.081 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.846 -13.912 -4.271 1.00 0.00 O ATOM 0 H ASP A 73 8.009 -10.578 -7.291 1.00 0.00 H new ATOM 0 HA ASP A 73 7.455 -13.464 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.775 -11.815 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.174 -12.520 -5.077 1.00 0.00 H new ATOM 1198 N GLU A 74 4.918 -12.891 -7.467 1.00 0.00 N ATOM 1199 CA GLU A 74 3.572 -12.540 -7.886 1.00 0.00 C ATOM 1200 C GLU A 74 2.591 -12.722 -6.727 1.00 0.00 C ATOM 1201 O GLU A 74 1.421 -12.359 -6.836 1.00 0.00 O ATOM 1202 CB GLU A 74 3.144 -13.364 -9.102 1.00 0.00 C ATOM 1203 CG GLU A 74 2.575 -14.719 -8.673 1.00 0.00 C ATOM 1204 CD GLU A 74 2.248 -15.586 -9.890 1.00 0.00 C ATOM 1205 OE1 GLU A 74 3.140 -15.704 -10.759 1.00 0.00 O ATOM 1206 OE2 GLU A 74 1.115 -16.111 -9.924 1.00 0.00 O ATOM 0 H GLU A 74 5.051 -13.877 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 74 3.566 -11.490 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.395 -12.815 -9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.998 -13.517 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.295 -15.235 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.675 -14.567 -8.077 1.00 0.00 H new ATOM 1213 N ASN A 75 3.104 -13.283 -5.642 1.00 0.00 N ATOM 1214 CA ASN A 75 2.288 -13.518 -4.463 1.00 0.00 C ATOM 1215 C ASN A 75 2.231 -12.239 -3.624 1.00 0.00 C ATOM 1216 O ASN A 75 1.425 -12.133 -2.702 1.00 0.00 O ATOM 1217 CB ASN A 75 2.882 -14.627 -3.593 1.00 0.00 C ATOM 1218 CG ASN A 75 1.779 -15.430 -2.900 1.00 0.00 C ATOM 1219 OD1 ASN A 75 0.608 -15.090 -2.941 1.00 0.00 O ATOM 1220 ND2 ASN A 75 2.217 -16.512 -2.262 1.00 0.00 N ATOM 0 H ASN A 75 4.075 -13.582 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 75 1.293 -13.815 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.489 -15.291 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.545 -14.192 -2.845 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.559 -17.114 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.211 -16.740 -2.267 1.00 0.00 H new ATOM 1227 N ILE A 76 3.098 -11.300 -3.975 1.00 0.00 N ATOM 1228 CA ILE A 76 3.157 -10.033 -3.267 1.00 0.00 C ATOM 1229 C ILE A 76 1.878 -9.240 -3.542 1.00 0.00 C ATOM 1230 O ILE A 76 1.449 -9.126 -4.690 1.00 0.00 O ATOM 1231 CB ILE A 76 4.438 -9.278 -3.625 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.480 -7.912 -2.937 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.600 -9.161 -5.142 1.00 0.00 C ATOM 1234 CD1 ILE A 76 5.726 -7.128 -3.351 1.00 0.00 C ATOM 0 H ILE A 76 3.765 -11.392 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 76 3.204 -10.200 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 76 5.287 -9.852 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.586 -7.344 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.473 -8.045 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.519 -8.620 -5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.648 -10.158 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.749 -8.622 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.731 -6.161 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.618 -7.688 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.718 -6.975 -4.430 1.00 0.00 H new ATOM 1246 N ARG A 77 1.304 -8.712 -2.471 1.00 0.00 N ATOM 1247 CA ARG A 77 0.083 -7.933 -2.583 1.00 0.00 C ATOM 1248 C ARG A 77 0.301 -6.523 -2.030 1.00 0.00 C ATOM 1249 O ARG A 77 0.416 -6.338 -0.820 1.00 0.00 O ATOM 1250 CB ARG A 77 -1.067 -8.599 -1.824 1.00 0.00 C ATOM 1251 CG ARG A 77 -2.046 -7.554 -1.285 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.450 -8.144 -1.136 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.484 -9.088 0.004 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.352 -10.416 -0.116 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -3.177 -10.965 -1.326 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.396 -11.195 0.973 1.00 0.00 N ATOM 0 H ARG A 77 1.662 -8.809 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.179 -7.876 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.593 -9.288 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.669 -9.190 -0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.697 -7.187 -0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.077 -6.698 -1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.174 -7.345 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.737 -8.658 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.616 -8.703 0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.144 -10.372 -2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.076 -11.976 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.530 -10.777 1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.296 -12.206 0.881 1.00 0.00 H new ATOM 1270 N VAL A 78 0.350 -5.565 -2.944 1.00 0.00 N ATOM 1271 CA VAL A 78 0.551 -4.177 -2.564 1.00 0.00 C ATOM 1272 C VAL A 78 -0.275 -3.276 -3.483 1.00 0.00 C ATOM 1273 O VAL A 78 -0.603 -3.661 -4.604 1.00 0.00 O ATOM 1274 CB VAL A 78 2.044 -3.842 -2.580 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.274 -2.352 -2.316 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.811 -4.702 -1.574 1.00 0.00 C ATOM 0 H VAL A 78 0.254 -5.723 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 78 0.204 -4.005 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 78 2.427 -4.070 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.343 -2.140 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.776 -1.765 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.867 -2.088 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.869 -4.443 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.424 -4.521 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.687 -5.755 -1.827 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.587 -2.093 -2.975 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.368 -1.133 -3.736 1.00 0.00 C ATOM 1288 C ILE A 79 -0.540 0.135 -3.953 1.00 0.00 C ATOM 1289 O ILE A 79 0.197 0.559 -3.064 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.715 -0.879 -3.056 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.781 -1.847 -3.573 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.142 0.582 -3.215 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.188 -1.305 -3.309 1.00 0.00 C ATOM 0 H ILE A 79 -0.313 -1.777 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.605 -1.532 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.600 -1.067 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.644 -2.007 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.664 -2.816 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.102 0.736 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.393 1.231 -2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.235 0.821 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.927 -2.012 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.330 -1.169 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.310 -0.348 -3.816 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.689 0.704 -5.140 1.00 0.00 N ATOM 1306 CA ILE A 80 0.037 1.915 -5.485 1.00 0.00 C ATOM 1307 C ILE A 80 -0.885 3.124 -5.311 1.00 0.00 C ATOM 1308 O ILE A 80 -2.105 2.997 -5.405 1.00 0.00 O ATOM 1309 CB ILE A 80 0.639 1.798 -6.887 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.439 1.950 -7.962 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.421 0.492 -7.040 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.939 3.394 -8.037 1.00 0.00 C ATOM 0 H ILE A 80 -1.301 0.349 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 80 0.882 2.058 -4.811 1.00 0.00 H new ATOM 0 HB ILE A 80 1.347 2.616 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.037 1.650 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.273 1.284 -7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.839 0.434 -8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.229 0.464 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.753 -0.353 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.704 3.474 -8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.362 3.683 -7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.107 4.055 -8.281 1.00 0.00 H new ATOM 1324 N MET A 81 -0.267 4.269 -5.061 1.00 0.00 N ATOM 1325 CA MET A 81 -1.017 5.499 -4.873 1.00 0.00 C ATOM 1326 C MET A 81 -0.319 6.676 -5.558 1.00 0.00 C ATOM 1327 O MET A 81 0.855 6.938 -5.305 1.00 0.00 O ATOM 1328 CB MET A 81 -1.157 5.788 -3.377 1.00 0.00 C ATOM 1329 CG MET A 81 -0.397 4.753 -2.545 1.00 0.00 C ATOM 1330 SD MET A 81 -0.404 5.229 -0.825 1.00 0.00 S ATOM 1331 CE MET A 81 1.311 4.948 -0.419 1.00 0.00 C ATOM 0 H MET A 81 0.745 4.371 -4.984 1.00 0.00 H new ATOM 0 HA MET A 81 -2.003 5.374 -5.321 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.776 6.786 -3.159 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.211 5.781 -3.099 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.857 3.772 -2.661 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.629 4.668 -2.903 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.519 5.345 0.574 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.518 3.878 -0.433 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.945 5.449 -1.150 1.00 0.00 H new ATOM 1341 N THR A 82 -1.073 7.354 -6.411 1.00 0.00 N ATOM 1342 CA THR A 82 -0.542 8.497 -7.134 1.00 0.00 C ATOM 1343 C THR A 82 -1.648 9.177 -7.943 1.00 0.00 C ATOM 1344 O THR A 82 -2.535 8.509 -8.473 1.00 0.00 O ATOM 1345 CB THR A 82 0.628 8.012 -7.992 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.667 8.933 -9.079 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.346 6.663 -8.657 1.00 0.00 C ATOM 0 H THR A 82 -2.047 7.134 -6.618 1.00 0.00 H new ATOM 0 HA THR A 82 -0.168 9.259 -6.450 1.00 0.00 H new ATOM 0 HB THR A 82 1.523 7.933 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.454 8.751 -9.634 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.208 6.364 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.158 5.912 -7.890 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.529 6.751 -9.301 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.560 10.497 -8.013 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.542 11.275 -8.748 1.00 0.00 C ATOM 1357 C ALA A 83 -2.614 10.767 -10.189 1.00 0.00 C ATOM 1358 O ALA A 83 -1.665 10.161 -10.686 1.00 0.00 O ATOM 1359 CB ALA A 83 -2.179 12.760 -8.671 1.00 0.00 C ATOM 0 H ALA A 83 -0.823 11.048 -7.572 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.532 11.158 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.916 13.344 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.170 13.079 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.192 12.916 -9.107 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.748 11.031 -10.821 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.956 10.608 -12.195 1.00 0.00 C ATOM 1367 C TYR A 84 -3.217 11.527 -13.170 1.00 0.00 C ATOM 1368 O TYR A 84 -3.807 12.025 -14.127 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.461 10.720 -12.448 1.00 0.00 C ATOM 1370 CG TYR A 84 -6.109 11.950 -11.808 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.558 13.200 -12.002 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -7.246 11.809 -11.038 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.168 14.357 -11.400 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -7.856 12.966 -10.436 1.00 0.00 C ATOM 1375 CZ TYR A 84 -7.287 14.183 -10.647 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.863 15.276 -10.079 1.00 0.00 O ATOM 0 H TYR A 84 -4.533 11.533 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.581 9.596 -12.345 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.637 10.747 -13.523 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.951 9.824 -12.067 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.669 13.311 -12.605 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.678 10.831 -10.887 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.746 15.341 -11.543 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.745 12.870 -9.831 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.655 15.002 -9.571 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.937 11.724 -12.892 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.111 12.574 -13.733 1.00 0.00 C ATOM 1388 C GLY A 85 -0.056 11.752 -14.476 1.00 0.00 C ATOM 1389 O GLY A 85 0.513 12.214 -15.463 1.00 0.00 O ATOM 0 H GLY A 85 -1.451 11.310 -12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.739 13.101 -14.452 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.622 13.332 -13.121 1.00 0.00 H new ATOM 1393 N GLU A 86 0.172 10.548 -13.973 1.00 0.00 N ATOM 1394 CA GLU A 86 1.148 9.658 -14.576 1.00 0.00 C ATOM 1395 C GLU A 86 0.540 8.271 -14.792 1.00 0.00 C ATOM 1396 O GLU A 86 1.137 7.262 -14.421 1.00 0.00 O ATOM 1397 CB GLU A 86 2.415 9.573 -13.723 1.00 0.00 C ATOM 1398 CG GLU A 86 2.073 9.572 -12.232 1.00 0.00 C ATOM 1399 CD GLU A 86 3.246 9.048 -11.400 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.387 9.450 -11.713 1.00 0.00 O ATOM 1401 OE2 GLU A 86 2.974 8.257 -10.471 1.00 0.00 O ATOM 0 H GLU A 86 -0.303 10.168 -13.154 1.00 0.00 H new ATOM 0 HA GLU A 86 1.430 10.066 -15.547 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.966 8.667 -13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.067 10.416 -13.950 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.819 10.583 -11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.193 8.952 -12.058 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.642 8.265 -15.392 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.338 7.018 -15.662 1.00 0.00 C ATOM 1410 C LEU A 87 -0.354 6.007 -16.253 1.00 0.00 C ATOM 1411 O LEU A 87 -0.411 4.821 -15.934 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.565 7.269 -16.541 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.599 8.251 -15.985 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.193 9.112 -17.101 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.681 7.516 -15.192 1.00 0.00 C ATOM 0 H LEU A 87 -1.135 9.104 -15.699 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.720 6.587 -14.737 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.225 7.639 -17.508 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.060 6.315 -16.721 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.093 8.924 -15.293 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.925 9.801 -16.679 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.398 9.679 -17.585 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.680 8.470 -17.835 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.403 8.236 -14.808 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.189 6.805 -15.843 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.223 6.982 -14.359 1.00 0.00 H new ATOM 1427 N ASP A 88 0.525 6.514 -17.105 1.00 0.00 N ATOM 1428 CA ASP A 88 1.520 5.670 -17.744 1.00 0.00 C ATOM 1429 C ASP A 88 2.151 4.751 -16.697 1.00 0.00 C ATOM 1430 O ASP A 88 2.359 3.565 -16.950 1.00 0.00 O ATOM 1431 CB ASP A 88 2.635 6.510 -18.369 1.00 0.00 C ATOM 1432 CG ASP A 88 3.133 7.670 -17.505 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.444 8.713 -17.503 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.192 7.488 -16.866 1.00 0.00 O ATOM 0 H ASP A 88 0.569 7.499 -17.368 1.00 0.00 H new ATOM 0 HA ASP A 88 1.022 5.093 -18.524 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.478 5.857 -18.595 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.279 6.911 -19.318 1.00 0.00 H new ATOM 1439 N MET A 89 2.439 5.332 -15.541 1.00 0.00 N ATOM 1440 CA MET A 89 3.042 4.580 -14.454 1.00 0.00 C ATOM 1441 C MET A 89 2.001 3.712 -13.744 1.00 0.00 C ATOM 1442 O MET A 89 2.245 2.536 -13.479 1.00 0.00 O ATOM 1443 CB MET A 89 3.671 5.549 -13.450 1.00 0.00 C ATOM 1444 CG MET A 89 4.731 4.846 -12.600 1.00 0.00 C ATOM 1445 SD MET A 89 3.949 3.725 -11.453 1.00 0.00 S ATOM 1446 CE MET A 89 5.362 3.252 -10.469 1.00 0.00 C ATOM 0 H MET A 89 2.266 6.316 -15.334 1.00 0.00 H new ATOM 0 HA MET A 89 3.809 3.927 -14.870 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.123 6.387 -13.982 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.897 5.962 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.420 4.299 -13.243 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.320 5.584 -12.056 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.022 2.804 -9.536 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.964 2.530 -11.020 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.964 4.134 -10.250 1.00 0.00 H new ATOM 1456 N ILE A 90 0.863 4.326 -13.457 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.216 3.624 -12.782 1.00 0.00 C ATOM 1458 C ILE A 90 -0.579 2.369 -13.579 1.00 0.00 C ATOM 1459 O ILE A 90 -0.724 1.289 -13.010 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.399 4.564 -12.543 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -1.039 5.653 -11.530 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.645 3.781 -12.124 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.222 7.046 -12.134 1.00 0.00 C ATOM 0 H ILE A 90 0.664 5.301 -13.679 1.00 0.00 H new ATOM 0 HA ILE A 90 0.104 3.293 -11.794 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.633 5.064 -13.483 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.666 5.552 -10.644 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.006 5.526 -11.206 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.471 4.473 -11.960 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.913 3.075 -12.910 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.440 3.236 -11.202 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.959 7.801 -11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.576 7.152 -13.005 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.261 7.179 -12.435 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.714 2.554 -14.884 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.057 1.451 -15.765 1.00 0.00 C ATOM 1477 C GLN A 91 -0.085 0.287 -15.561 1.00 0.00 C ATOM 1478 O GLN A 91 -0.506 -0.844 -15.321 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.074 1.901 -17.227 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.476 2.348 -17.647 1.00 0.00 C ATOM 1481 CD GLN A 91 -3.021 1.461 -18.768 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.482 1.397 -19.861 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -4.117 0.784 -18.438 1.00 0.00 N ATOM 0 H GLN A 91 -0.592 3.452 -15.352 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.061 1.109 -15.513 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.370 2.721 -17.367 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.742 1.083 -17.867 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.147 2.309 -16.789 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.446 3.385 -17.981 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.517 0.884 -17.505 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.558 0.165 -19.118 1.00 0.00 H new ATOM 1492 N GLU A 92 1.197 0.604 -15.663 1.00 0.00 N ATOM 1493 CA GLU A 92 2.233 -0.401 -15.493 1.00 0.00 C ATOM 1494 C GLU A 92 2.088 -1.087 -14.133 1.00 0.00 C ATOM 1495 O GLU A 92 2.314 -2.290 -14.013 1.00 0.00 O ATOM 1496 CB GLU A 92 3.625 0.213 -15.651 1.00 0.00 C ATOM 1497 CG GLU A 92 4.499 -0.639 -16.574 1.00 0.00 C ATOM 1498 CD GLU A 92 5.117 0.213 -17.685 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.970 1.059 -17.343 1.00 0.00 O ATOM 1500 OE2 GLU A 92 4.721 -0.003 -18.851 1.00 0.00 O ATOM 0 H GLU A 92 1.542 1.543 -15.861 1.00 0.00 H new ATOM 0 HA GLU A 92 2.113 -1.153 -16.273 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.538 1.221 -16.056 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.100 0.302 -14.674 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.289 -1.116 -15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.900 -1.437 -17.013 1.00 0.00 H new ATOM 1507 N SER A 93 1.711 -0.292 -13.142 1.00 0.00 N ATOM 1508 CA SER A 93 1.534 -0.808 -11.795 1.00 0.00 C ATOM 1509 C SER A 93 0.476 -1.913 -11.794 1.00 0.00 C ATOM 1510 O SER A 93 0.685 -2.976 -11.211 1.00 0.00 O ATOM 1511 CB SER A 93 1.137 0.308 -10.826 1.00 0.00 C ATOM 1512 OG SER A 93 -0.276 0.471 -10.749 1.00 0.00 O ATOM 0 H SER A 93 1.523 0.705 -13.245 1.00 0.00 H new ATOM 0 HA SER A 93 2.484 -1.223 -11.459 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.531 0.084 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.593 1.245 -11.146 1.00 0.00 H new ATOM 0 HG SER A 93 -0.566 1.132 -11.412 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.637 -1.625 -12.452 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.728 -2.581 -12.534 1.00 0.00 C ATOM 1520 C LYS A 94 -1.255 -3.824 -13.291 1.00 0.00 C ATOM 1521 O LYS A 94 -1.439 -4.947 -12.824 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.970 -1.926 -13.142 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.196 -2.148 -12.255 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.409 -2.564 -13.090 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.713 -2.290 -12.337 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.587 -3.483 -12.363 1.00 0.00 N ATOM 0 H LYS A 94 -0.807 -0.742 -12.934 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.024 -2.908 -11.537 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.797 -0.857 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.155 -2.339 -14.134 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.979 -2.918 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.423 -1.233 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.409 -2.020 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.341 -3.624 -13.333 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.493 -2.015 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.230 -1.443 -12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.467 -3.280 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.811 -3.728 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.098 -4.282 -11.911 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.655 -3.581 -14.447 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.154 -4.667 -15.273 1.00 0.00 C ATOM 1542 C GLU A 95 1.048 -5.333 -14.602 1.00 0.00 C ATOM 1543 O GLU A 95 1.493 -6.396 -15.032 1.00 0.00 O ATOM 1544 CB GLU A 95 0.206 -4.168 -16.674 1.00 0.00 C ATOM 1545 CG GLU A 95 1.690 -3.804 -16.761 1.00 0.00 C ATOM 1546 CD GLU A 95 2.512 -4.979 -17.295 1.00 0.00 C ATOM 1547 OE1 GLU A 95 2.376 -5.263 -18.505 1.00 0.00 O ATOM 1548 OE2 GLU A 95 3.258 -5.566 -16.482 1.00 0.00 O ATOM 0 H GLU A 95 -0.504 -2.648 -14.831 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.943 -5.411 -15.380 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.027 -4.938 -17.409 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.401 -3.297 -16.921 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.819 -2.940 -17.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.056 -3.517 -15.775 1.00 0.00 H new ATOM 1555 N LEU A 96 1.540 -4.681 -13.558 1.00 0.00 N ATOM 1556 CA LEU A 96 2.682 -5.198 -12.823 1.00 0.00 C ATOM 1557 C LEU A 96 2.234 -6.375 -11.955 1.00 0.00 C ATOM 1558 O LEU A 96 3.058 -7.176 -11.516 1.00 0.00 O ATOM 1559 CB LEU A 96 3.364 -4.077 -12.036 1.00 0.00 C ATOM 1560 CG LEU A 96 4.759 -3.672 -12.517 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.727 -3.230 -13.981 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.363 -2.601 -11.607 1.00 0.00 C ATOM 0 H LEU A 96 1.168 -3.799 -13.204 1.00 0.00 H new ATOM 0 HA LEU A 96 3.437 -5.579 -13.510 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.722 -3.197 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.436 -4.384 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 96 5.408 -4.546 -12.459 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.731 -2.947 -14.298 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.368 -4.051 -14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.059 -2.376 -14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.354 -2.331 -11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.723 -1.719 -11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.443 -2.989 -10.592 1.00 0.00 H new ATOM 1574 N GLY A 97 0.930 -6.443 -11.733 1.00 0.00 N ATOM 1575 CA GLY A 97 0.362 -7.509 -10.924 1.00 0.00 C ATOM 1576 C GLY A 97 -0.023 -6.997 -9.535 1.00 0.00 C ATOM 1577 O GLY A 97 -0.061 -7.766 -8.575 1.00 0.00 O ATOM 0 H GLY A 97 0.250 -5.777 -12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.517 -7.919 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.082 -8.322 -10.829 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.299 -5.703 -9.471 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.681 -5.080 -8.215 1.00 0.00 C ATOM 1583 C ALA A 98 -2.191 -5.221 -8.019 1.00 0.00 C ATOM 1584 O ALA A 98 -2.915 -5.547 -8.958 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.226 -3.619 -8.211 1.00 0.00 C ATOM 0 H ALA A 98 -0.266 -5.068 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.193 -5.576 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.512 -3.151 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.857 -3.575 -8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.698 -3.089 -9.038 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.622 -4.969 -6.791 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.034 -5.064 -6.460 1.00 0.00 C ATOM 1593 C LEU A 99 -4.818 -4.044 -7.288 1.00 0.00 C ATOM 1594 O LEU A 99 -5.841 -4.378 -7.883 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.240 -4.920 -4.950 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.732 -6.079 -4.090 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.587 -7.331 -4.297 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.249 -6.348 -4.353 1.00 0.00 C ATOM 0 H LEU A 99 -2.019 -4.699 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.421 -6.049 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.745 -4.006 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.306 -4.792 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.827 -5.794 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.205 -8.140 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.619 -7.117 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.547 -7.630 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.913 -7.176 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.106 -6.603 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.670 -5.456 -4.115 1.00 0.00 H new ATOM 1610 N THR A 100 -4.307 -2.822 -7.299 1.00 0.00 N ATOM 1611 CA THR A 100 -4.947 -1.751 -8.045 1.00 0.00 C ATOM 1612 C THR A 100 -4.085 -0.487 -8.009 1.00 0.00 C ATOM 1613 O THR A 100 -2.885 -0.557 -7.748 1.00 0.00 O ATOM 1614 CB THR A 100 -6.350 -1.546 -7.469 1.00 0.00 C ATOM 1615 OG1 THR A 100 -6.929 -0.553 -8.310 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.325 -0.894 -6.085 1.00 0.00 C ATOM 0 H THR A 100 -3.458 -2.549 -6.804 1.00 0.00 H new ATOM 0 HA THR A 100 -5.047 -2.009 -9.099 1.00 0.00 H new ATOM 0 HB THR A 100 -6.861 -2.507 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.841 -0.361 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.345 -0.771 -5.722 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.768 -1.527 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.844 0.082 -6.151 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.731 0.639 -8.274 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.039 1.916 -8.276 1.00 0.00 C ATOM 1626 C HIS A 101 -4.966 3.003 -7.726 1.00 0.00 C ATOM 1627 O HIS A 101 -6.081 3.177 -8.214 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.504 2.243 -9.671 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.477 1.945 -10.787 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -4.189 1.068 -11.818 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.736 2.414 -11.021 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -5.234 1.021 -12.631 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -6.191 1.856 -12.136 1.00 0.00 N ATOM 0 H HIS A 101 -5.727 0.693 -8.489 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.169 1.863 -7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.237 3.299 -9.708 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.588 1.676 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.272 3.120 -10.404 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -5.314 0.426 -13.529 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.106 2.024 -12.554 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.469 3.705 -6.719 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.238 4.770 -6.098 1.00 0.00 C ATOM 1643 C PHE A 102 -4.693 6.143 -6.494 1.00 0.00 C ATOM 1644 O PHE A 102 -3.554 6.257 -6.944 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.100 4.597 -4.584 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.182 5.908 -3.798 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -4.180 6.822 -3.895 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -6.256 6.158 -3.003 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -4.256 8.038 -3.166 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.332 7.374 -2.274 1.00 0.00 C ATOM 1651 CZ PHE A 102 -5.330 8.288 -2.371 1.00 0.00 C ATOM 0 H PHE A 102 -3.543 3.557 -6.317 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.278 4.715 -6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.883 3.925 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.146 4.115 -4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.327 6.623 -4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.051 5.432 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.461 8.764 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.185 7.573 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.387 9.213 -1.816 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.532 7.153 -6.313 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.148 8.514 -6.647 1.00 0.00 C ATOM 1663 C ALA A 103 -5.276 9.394 -5.402 1.00 0.00 C ATOM 1664 O ALA A 103 -6.183 9.204 -4.593 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.009 9.017 -7.807 1.00 0.00 C ATOM 0 H ALA A 103 -6.476 7.056 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.108 8.551 -6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.721 10.038 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.861 8.375 -8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.059 8.997 -7.516 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.353 10.338 -5.287 1.00 0.00 N ATOM 1672 CA LYS A 104 -4.351 11.248 -4.154 1.00 0.00 C ATOM 1673 C LYS A 104 -5.774 11.755 -3.909 1.00 0.00 C ATOM 1674 O LYS A 104 -6.289 11.656 -2.797 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.328 12.366 -4.367 1.00 0.00 C ATOM 1676 CG LYS A 104 -2.058 12.110 -3.554 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.814 12.556 -4.324 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.666 14.078 -4.293 1.00 0.00 C ATOM 1679 NZ LYS A 104 -1.010 14.660 -5.610 1.00 0.00 N ATOM 0 H LYS A 104 -3.602 10.492 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.038 10.728 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.078 12.438 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.763 13.322 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.115 12.646 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.982 11.049 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.072 12.092 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.880 12.214 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.315 14.497 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.357 14.344 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.904 15.694 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.374 14.274 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.994 14.422 -5.849 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.385 12.300 -4.995 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.738 12.822 -4.909 1.00 0.00 C ATOM 1695 C PRO A 105 -8.762 11.686 -4.860 1.00 0.00 C ATOM 1696 O PRO A 105 -9.506 11.474 -5.817 1.00 0.00 O ATOM 1697 CB PRO A 105 -7.895 13.711 -6.132 1.00 0.00 C ATOM 1698 CG PRO A 105 -6.798 13.290 -7.097 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.805 12.433 -6.329 1.00 0.00 C ATOM 0 HA PRO A 105 -7.913 13.390 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.880 13.586 -6.582 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.798 14.763 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.219 12.731 -7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.302 14.165 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.672 11.460 -6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.823 12.904 -6.289 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.766 10.984 -3.736 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.687 9.875 -3.550 1.00 0.00 C ATOM 1709 C PHE A 106 -10.424 9.993 -2.215 1.00 0.00 C ATOM 1710 O PHE A 106 -9.996 10.730 -1.328 1.00 0.00 O ATOM 1711 CB PHE A 106 -8.849 8.595 -3.546 1.00 0.00 C ATOM 1712 CG PHE A 106 -8.820 7.866 -4.891 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -8.554 8.555 -6.033 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -9.060 6.528 -4.944 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -8.527 7.879 -7.281 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -9.034 5.852 -6.193 1.00 0.00 C ATOM 1717 CZ PHE A 106 -8.768 6.541 -7.334 1.00 0.00 C ATOM 0 H PHE A 106 -8.147 11.161 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.432 9.871 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.828 8.842 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.241 7.919 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.363 9.617 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.270 5.980 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.315 8.426 -8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.226 4.790 -6.236 1.00 0.00 H new ATOM 0 HZ PHE A 106 -8.748 6.026 -8.283 1.00 0.00 H new ATOM 1727 N ASP A 107 -11.519 9.255 -2.113 1.00 0.00 N ATOM 1728 CA ASP A 107 -12.320 9.267 -0.901 1.00 0.00 C ATOM 1729 C ASP A 107 -11.894 8.105 -0.002 1.00 0.00 C ATOM 1730 O ASP A 107 -11.563 7.026 -0.491 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.807 9.097 -1.221 1.00 0.00 C ATOM 1732 CG ASP A 107 -14.760 9.487 -0.089 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -14.401 10.420 0.660 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.827 8.842 0.001 1.00 0.00 O ATOM 0 H ASP A 107 -11.871 8.644 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.166 10.225 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.045 9.697 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.989 8.056 -1.487 1.00 0.00 H new ATOM 1739 N ILE A 108 -11.917 8.364 1.297 1.00 0.00 N ATOM 1740 CA ILE A 108 -11.537 7.353 2.269 1.00 0.00 C ATOM 1741 C ILE A 108 -12.663 6.324 2.395 1.00 0.00 C ATOM 1742 O ILE A 108 -12.413 5.160 2.702 1.00 0.00 O ATOM 1743 CB ILE A 108 -11.149 8.005 3.598 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -9.653 7.840 3.874 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -12.007 7.466 4.744 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -9.258 6.362 3.882 1.00 0.00 C ATOM 0 H ILE A 108 -12.193 9.260 1.699 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.650 6.817 1.933 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.346 9.075 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.079 8.370 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.404 8.292 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.711 7.946 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.057 7.679 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.865 6.389 4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.190 6.272 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.817 5.840 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.486 5.919 2.912 1.00 0.00 H new ATOM 1758 N ASP A 109 -13.878 6.792 2.151 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.043 5.927 2.233 1.00 0.00 C ATOM 1760 C ASP A 109 -15.035 4.954 1.053 1.00 0.00 C ATOM 1761 O ASP A 109 -15.270 3.759 1.227 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.338 6.739 2.167 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.583 6.015 2.683 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -17.910 4.961 2.096 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -18.179 6.532 3.652 1.00 0.00 O ATOM 0 H ASP A 109 -14.081 7.759 1.897 1.00 0.00 H new ATOM 0 HA ASP A 109 -15.000 5.393 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.204 7.655 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -16.511 7.035 1.132 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.761 5.501 -0.122 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.718 4.696 -1.331 1.00 0.00 C ATOM 1772 C GLU A 110 -13.583 3.674 -1.249 1.00 0.00 C ATOM 1773 O GLU A 110 -13.713 2.556 -1.745 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.572 5.578 -2.573 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.104 5.708 -2.984 1.00 0.00 C ATOM 1776 CD GLU A 110 -12.905 6.883 -3.943 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -13.873 7.658 -4.100 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -11.789 6.980 -4.498 1.00 0.00 O ATOM 0 H GLU A 110 -14.566 6.492 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.661 4.156 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.147 5.152 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.986 6.566 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.486 5.849 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.773 4.785 -3.460 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.496 4.094 -0.618 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.339 3.228 -0.464 1.00 0.00 C ATOM 1787 C ILE A 111 -11.728 2.007 0.372 1.00 0.00 C ATOM 1788 O ILE A 111 -11.167 0.927 0.198 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.156 4.012 0.107 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.395 4.741 -1.003 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.240 3.102 0.928 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.291 5.626 -0.421 1.00 0.00 C ATOM 0 H ILE A 111 -12.392 5.022 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.009 2.858 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.545 4.772 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.960 4.014 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -10.087 5.351 -1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.407 3.684 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.803 2.669 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.856 2.304 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.766 6.132 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.732 6.367 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.587 5.009 0.138 1.00 0.00 H new ATOM 1804 N ARG A 112 -12.688 2.220 1.261 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.159 1.150 2.124 1.00 0.00 C ATOM 1806 C ARG A 112 -13.738 0.008 1.287 1.00 0.00 C ATOM 1807 O ARG A 112 -13.807 -1.130 1.747 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.229 1.656 3.094 1.00 0.00 C ATOM 1809 CG ARG A 112 -13.691 2.801 3.955 1.00 0.00 C ATOM 1810 CD ARG A 112 -14.315 2.776 5.352 1.00 0.00 C ATOM 1811 NE ARG A 112 -14.987 4.066 5.628 1.00 0.00 N ATOM 1812 CZ ARG A 112 -15.925 4.237 6.570 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -16.308 3.202 7.330 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -16.481 5.443 6.751 1.00 0.00 N ATOM 0 H ARG A 112 -13.152 3.117 1.402 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.306 0.787 2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.101 1.995 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -14.560 0.839 3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.607 2.722 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.906 3.755 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -15.033 1.959 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.545 2.590 6.100 1.00 0.00 H new ATOM 0 HE ARG A 112 -14.720 4.875 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.886 2.284 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -17.022 3.332 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -16.190 6.231 6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.195 5.573 7.468 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.139 0.353 0.072 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.710 -0.630 -0.834 1.00 0.00 C ATOM 1830 C ASP A 113 -13.581 -1.400 -1.522 1.00 0.00 C ATOM 1831 O ASP A 113 -13.599 -2.629 -1.565 1.00 0.00 O ATOM 1832 CB ASP A 113 -15.551 0.045 -1.919 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.003 -0.430 -2.001 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.755 -0.123 -1.051 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.329 -1.089 -3.012 1.00 0.00 O ATOM 0 H ASP A 113 -14.080 1.299 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.343 -1.299 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.546 1.121 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.074 -0.124 -2.885 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.625 -0.645 -2.043 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.489 -1.241 -2.727 1.00 0.00 C ATOM 1842 C ALA A 114 -10.695 -2.096 -1.737 1.00 0.00 C ATOM 1843 O ALA A 114 -10.046 -3.064 -2.129 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.638 -0.139 -3.359 1.00 0.00 C ATOM 0 H ALA A 114 -12.613 0.374 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.825 -1.895 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.786 -0.586 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.240 0.420 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.280 0.536 -2.581 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.773 -1.707 -0.473 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.069 -2.425 0.576 1.00 0.00 C ATOM 1852 C VAL A 115 -10.633 -3.843 0.683 1.00 0.00 C ATOM 1853 O VAL A 115 -9.914 -4.775 1.042 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.154 -1.647 1.891 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -9.835 -2.551 3.084 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.232 -0.427 1.866 1.00 0.00 C ATOM 0 H VAL A 115 -11.313 -0.904 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.010 -2.513 0.334 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.178 -1.291 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -9.902 -1.974 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -10.549 -3.374 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.826 -2.950 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.311 0.108 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.202 -0.752 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.525 0.233 1.050 1.00 0.00 H new