USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 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 42 LYS NZ :NH3+ 152:sc= -0.133 (180deg=-1.67!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -1.48! USER MOD Set 2.1: A 30 CYS SG : rot 129:sc= 0.868 USER MOD Set 2.2: A 62 CYS SG : rot 116:sc= -1.26! USER MOD Single : A 9 SER OG : rot 35:sc= 1.11 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.0891 (180deg=-0.503) USER MOD Single : A 17 ASN : amide:sc= -0.325 K(o=-0.32,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 170:sc= 0.0779 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.011) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.35) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.71! C(o=-1.7!,f=-9.5!) USER MOD Single : A 60 SER OG : rot -131:sc= -1.16 USER MOD Single : A 65 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 111:sc= 0.677 USER MOD Single : A 81 CYS SG : rot 52:sc= 1.17 USER MOD Single : A 83 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.31) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0876 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -2.147 20.709 -0.685 1.00 0.00 N ATOM 81 CA SER A 9 -1.426 19.653 0.017 1.00 0.00 C ATOM 82 C SER A 9 -0.727 18.723 -0.970 1.00 0.00 C ATOM 83 O SER A 9 -1.351 17.839 -1.558 1.00 0.00 O ATOM 84 CB SER A 9 -2.386 18.851 0.898 1.00 0.00 C ATOM 85 OG SER A 9 -3.340 18.156 0.113 1.00 0.00 O ATOM 0 HA SER A 9 -0.669 20.120 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.822 18.141 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.898 19.522 1.588 1.00 0.00 H new ATOM 0 HG SER A 9 -2.925 17.867 -0.727 1.00 0.00 H new ATOM 91 N LYS A 10 0.573 18.930 -1.148 1.00 0.00 N ATOM 92 CA LYS A 10 1.361 18.111 -2.062 1.00 0.00 C ATOM 93 C LYS A 10 1.954 16.906 -1.340 1.00 0.00 C ATOM 94 O LYS A 10 2.336 16.995 -0.174 1.00 0.00 O ATOM 95 CB LYS A 10 2.480 18.945 -2.690 1.00 0.00 C ATOM 96 CG LYS A 10 1.998 19.893 -3.775 1.00 0.00 C ATOM 97 CD LYS A 10 1.310 21.112 -3.184 1.00 0.00 C ATOM 98 CE LYS A 10 2.314 22.072 -2.564 1.00 0.00 C ATOM 99 NZ LYS A 10 3.257 22.621 -3.579 1.00 0.00 N ATOM 0 H LYS A 10 1.104 19.659 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 10 0.699 17.750 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.974 19.522 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.228 18.274 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.844 20.211 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.308 19.370 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.746 21.626 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.593 20.795 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.782 22.892 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.877 21.556 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.676 23.504 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.012 21.929 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.743 22.814 -4.462 1.00 0.00 H new ATOM 113 N PHE A 11 2.029 15.780 -2.042 1.00 0.00 N ATOM 114 CA PHE A 11 2.576 14.556 -1.468 1.00 0.00 C ATOM 115 C PHE A 11 4.101 14.564 -1.523 1.00 0.00 C ATOM 116 O PHE A 11 4.693 14.695 -2.595 1.00 0.00 O ATOM 117 CB PHE A 11 2.034 13.333 -2.209 1.00 0.00 C ATOM 118 CG PHE A 11 0.600 13.022 -1.886 1.00 0.00 C ATOM 119 CD1 PHE A 11 -0.428 13.598 -2.615 1.00 0.00 C ATOM 120 CD2 PHE A 11 0.281 12.155 -0.854 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.748 13.314 -2.319 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.037 11.867 -0.554 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.053 12.447 -1.288 1.00 0.00 C ATOM 0 H PHE A 11 1.718 15.690 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 11 2.268 14.505 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.129 13.497 -3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.649 12.467 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.195 14.276 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.072 11.699 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.541 13.770 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.272 11.189 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.084 12.223 -1.056 1.00 0.00 H new ATOM 133 N ILE A 12 4.730 14.425 -0.361 1.00 0.00 N ATOM 134 CA ILE A 12 6.185 14.415 -0.276 1.00 0.00 C ATOM 135 C ILE A 12 6.742 13.022 -0.547 1.00 0.00 C ATOM 136 O ILE A 12 7.644 12.853 -1.367 1.00 0.00 O ATOM 137 CB ILE A 12 6.672 14.891 1.105 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.674 15.881 1.709 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.051 15.524 0.992 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.313 17.019 0.779 1.00 0.00 C ATOM 0 H ILE A 12 4.255 14.318 0.535 1.00 0.00 H new ATOM 0 HA ILE A 12 6.550 15.104 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 12 6.743 14.027 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.765 15.346 1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.093 16.292 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.381 15.855 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.757 14.791 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.005 16.379 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.602 17.681 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.212 17.579 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.864 16.618 -0.130 1.00 0.00 H new ATOM 152 N GLU A 13 6.198 12.027 0.147 1.00 0.00 N ATOM 153 CA GLU A 13 6.640 10.648 -0.021 1.00 0.00 C ATOM 154 C GLU A 13 5.593 9.827 -0.768 1.00 0.00 C ATOM 155 O GLU A 13 5.198 8.751 -0.321 1.00 0.00 O ATOM 156 CB GLU A 13 6.926 10.012 1.341 1.00 0.00 C ATOM 157 CG GLU A 13 7.976 8.915 1.293 1.00 0.00 C ATOM 158 CD GLU A 13 9.181 9.297 0.455 1.00 0.00 C ATOM 159 OE1 GLU A 13 9.627 10.459 0.552 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.677 8.432 -0.297 1.00 0.00 O ATOM 0 H GLU A 13 5.451 12.150 0.830 1.00 0.00 H new ATOM 0 HA GLU A 13 7.557 10.657 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.255 10.788 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.000 9.599 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.302 8.685 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.529 8.007 0.888 1.00 0.00 H new ATOM 167 N GLY A 14 5.148 10.345 -1.909 1.00 0.00 N ATOM 168 CA GLY A 14 4.150 9.648 -2.700 1.00 0.00 C ATOM 169 C GLY A 14 4.300 8.141 -2.625 1.00 0.00 C ATOM 170 O GLY A 14 5.399 7.610 -2.789 1.00 0.00 O ATOM 0 H GLY A 14 5.460 11.234 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.155 9.929 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.227 9.967 -3.740 1.00 0.00 H new ATOM 174 N LEU A 15 3.193 7.450 -2.374 1.00 0.00 N ATOM 175 CA LEU A 15 3.206 5.995 -2.276 1.00 0.00 C ATOM 176 C LEU A 15 4.184 5.390 -3.277 1.00 0.00 C ATOM 177 O LEU A 15 4.371 5.917 -4.374 1.00 0.00 O ATOM 178 CB LEU A 15 1.802 5.436 -2.516 1.00 0.00 C ATOM 179 CG LEU A 15 0.713 5.923 -1.560 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.664 5.550 -2.085 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.929 5.348 -0.168 1.00 0.00 C ATOM 0 H LEU A 15 2.276 7.874 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 15 3.531 5.726 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.502 5.686 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.850 4.349 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 15 0.772 7.009 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.426 5.905 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.818 6.011 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.736 4.467 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.145 5.705 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.897 4.259 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.900 5.667 0.211 1.00 0.00 H new ATOM 193 N ARG A 16 4.805 4.279 -2.893 1.00 0.00 N ATOM 194 CA ARG A 16 5.764 3.602 -3.758 1.00 0.00 C ATOM 195 C ARG A 16 5.390 2.133 -3.938 1.00 0.00 C ATOM 196 O ARG A 16 4.707 1.549 -3.098 1.00 0.00 O ATOM 197 CB ARG A 16 7.175 3.712 -3.176 1.00 0.00 C ATOM 198 CG ARG A 16 7.328 3.045 -1.819 1.00 0.00 C ATOM 199 CD ARG A 16 7.007 4.006 -0.685 1.00 0.00 C ATOM 200 NE ARG A 16 6.754 3.306 0.571 1.00 0.00 N ATOM 201 CZ ARG A 16 7.704 2.715 1.287 1.00 0.00 C ATOM 202 NH1 ARG A 16 8.963 2.741 0.874 1.00 0.00 N ATOM 203 NH2 ARG A 16 7.395 2.098 2.420 1.00 0.00 N ATOM 0 H ARG A 16 4.661 3.829 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 16 5.742 4.088 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.882 3.264 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.440 4.765 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.668 2.180 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.348 2.676 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.837 4.700 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.133 4.601 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 16 5.795 3.269 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.205 3.216 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.690 2.286 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.427 2.077 2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.125 1.644 2.969 1.00 0.00 H new ATOM 217 N ASN A 17 5.844 1.544 -5.039 1.00 0.00 N ATOM 218 CA ASN A 17 5.557 0.144 -5.330 1.00 0.00 C ATOM 219 C ASN A 17 5.600 -0.697 -4.058 1.00 0.00 C ATOM 220 O ASN A 17 6.598 -0.698 -3.338 1.00 0.00 O ATOM 221 CB ASN A 17 6.558 -0.403 -6.350 1.00 0.00 C ATOM 222 CG ASN A 17 6.137 -1.748 -6.910 1.00 0.00 C ATOM 223 OD1 ASN A 17 5.816 -2.671 -6.161 1.00 0.00 O ATOM 224 ND2 ASN A 17 6.137 -1.864 -8.233 1.00 0.00 N ATOM 0 H ASN A 17 6.412 2.014 -5.744 1.00 0.00 H new ATOM 0 HA ASN A 17 4.552 0.086 -5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.666 0.310 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.536 -0.499 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.863 -2.745 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.411 -1.072 -8.814 1.00 0.00 H new ATOM 231 N GLU A 18 4.511 -1.410 -3.788 1.00 0.00 N ATOM 232 CA GLU A 18 4.425 -2.254 -2.603 1.00 0.00 C ATOM 233 C GLU A 18 4.199 -3.713 -2.989 1.00 0.00 C ATOM 234 O GLU A 18 3.609 -4.006 -4.028 1.00 0.00 O ATOM 235 CB GLU A 18 3.294 -1.775 -1.689 1.00 0.00 C ATOM 236 CG GLU A 18 3.420 -2.266 -0.257 1.00 0.00 C ATOM 237 CD GLU A 18 4.849 -2.227 0.250 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.289 -1.150 0.702 1.00 0.00 O ATOM 239 OE2 GLU A 18 5.526 -3.275 0.195 1.00 0.00 O ATOM 0 H GLU A 18 3.676 -1.420 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 18 5.371 -2.181 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.274 -0.685 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.341 -2.112 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.792 -1.653 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.043 -3.287 -0.192 1.00 0.00 H new ATOM 246 N GLU A 19 4.673 -4.623 -2.143 1.00 0.00 N ATOM 247 CA GLU A 19 4.523 -6.051 -2.397 1.00 0.00 C ATOM 248 C GLU A 19 4.472 -6.834 -1.088 1.00 0.00 C ATOM 249 O GLU A 19 5.440 -6.856 -0.328 1.00 0.00 O ATOM 250 CB GLU A 19 5.676 -6.561 -3.264 1.00 0.00 C ATOM 251 CG GLU A 19 5.736 -8.076 -3.369 1.00 0.00 C ATOM 252 CD GLU A 19 6.932 -8.559 -4.166 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.046 -8.181 -5.350 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.752 -9.315 -3.605 1.00 0.00 O ATOM 0 H GLU A 19 5.163 -4.397 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 19 3.583 -6.203 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.581 -6.140 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.617 -6.196 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.775 -8.505 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.821 -8.440 -3.837 1.00 0.00 H new ATOM 261 N ALA A 20 3.336 -7.474 -0.832 1.00 0.00 N ATOM 262 CA ALA A 20 3.159 -8.258 0.384 1.00 0.00 C ATOM 263 C ALA A 20 2.591 -9.638 0.068 1.00 0.00 C ATOM 264 O ALA A 20 1.919 -9.828 -0.946 1.00 0.00 O ATOM 265 CB ALA A 20 2.252 -7.523 1.359 1.00 0.00 C ATOM 0 H ALA A 20 2.525 -7.465 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 20 4.137 -8.392 0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.129 -8.120 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.698 -6.562 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.278 -7.359 0.897 1.00 0.00 H new ATOM 271 N THR A 21 2.866 -10.600 0.944 1.00 0.00 N ATOM 272 CA THR A 21 2.384 -11.963 0.757 1.00 0.00 C ATOM 273 C THR A 21 0.884 -12.056 1.011 1.00 0.00 C ATOM 274 O THR A 21 0.375 -11.501 1.985 1.00 0.00 O ATOM 275 CB THR A 21 3.113 -12.949 1.690 1.00 0.00 C ATOM 276 OG1 THR A 21 4.530 -12.821 1.527 1.00 0.00 O ATOM 277 CG2 THR A 21 2.691 -14.381 1.400 1.00 0.00 C ATOM 0 H THR A 21 3.420 -10.460 1.789 1.00 0.00 H new ATOM 0 HA THR A 21 2.591 -12.232 -0.279 1.00 0.00 H new ATOM 0 HB THR A 21 2.843 -12.709 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.986 -13.450 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.219 -15.059 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.617 -14.482 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.935 -14.630 0.367 1.00 0.00 H new ATOM 285 N GLU A 22 0.182 -12.760 0.130 1.00 0.00 N ATOM 286 CA GLU A 22 -1.262 -12.924 0.260 1.00 0.00 C ATOM 287 C GLU A 22 -1.644 -13.247 1.702 1.00 0.00 C ATOM 288 O GLU A 22 -0.816 -13.703 2.488 1.00 0.00 O ATOM 289 CB GLU A 22 -1.757 -14.033 -0.671 1.00 0.00 C ATOM 290 CG GLU A 22 -3.272 -14.138 -0.740 1.00 0.00 C ATOM 291 CD GLU A 22 -3.738 -15.256 -1.652 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.616 -16.434 -1.255 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.224 -14.954 -2.761 1.00 0.00 O ATOM 0 H GLU A 22 0.588 -13.226 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.736 -11.984 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.367 -13.855 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.350 -14.987 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.667 -14.303 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.682 -13.192 -1.092 1.00 0.00 H new ATOM 300 N GLY A 23 -2.907 -13.006 2.041 1.00 0.00 N ATOM 301 CA GLY A 23 -3.379 -13.275 3.387 1.00 0.00 C ATOM 302 C GLY A 23 -2.936 -12.218 4.379 1.00 0.00 C ATOM 303 O GLY A 23 -3.739 -11.724 5.170 1.00 0.00 O ATOM 0 H GLY A 23 -3.612 -12.629 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.468 -13.331 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.011 -14.249 3.710 1.00 0.00 H new ATOM 307 N ASP A 24 -1.654 -11.871 4.338 1.00 0.00 N ATOM 308 CA ASP A 24 -1.105 -10.866 5.241 1.00 0.00 C ATOM 309 C ASP A 24 -1.926 -9.581 5.187 1.00 0.00 C ATOM 310 O ASP A 24 -2.966 -9.522 4.530 1.00 0.00 O ATOM 311 CB ASP A 24 0.352 -10.570 4.883 1.00 0.00 C ATOM 312 CG ASP A 24 1.152 -10.078 6.073 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.983 -10.641 7.176 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.948 -9.132 5.903 1.00 0.00 O ATOM 0 H ASP A 24 -0.976 -12.271 3.689 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.149 -11.262 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.816 -11.473 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.384 -9.820 4.092 1.00 0.00 H new ATOM 319 N THR A 25 -1.452 -8.553 5.884 1.00 0.00 N ATOM 320 CA THR A 25 -2.142 -7.270 5.918 1.00 0.00 C ATOM 321 C THR A 25 -1.258 -6.154 5.373 1.00 0.00 C ATOM 322 O THR A 25 -0.416 -5.611 6.088 1.00 0.00 O ATOM 323 CB THR A 25 -2.583 -6.907 7.349 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.490 -7.896 7.848 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.249 -5.539 7.380 1.00 0.00 C ATOM 0 H THR A 25 -0.593 -8.584 6.433 1.00 0.00 H new ATOM 0 HA THR A 25 -3.025 -7.370 5.287 1.00 0.00 H new ATOM 0 HB THR A 25 -1.696 -6.876 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.764 -7.659 8.758 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.552 -5.305 8.401 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.546 -4.784 7.028 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.127 -5.547 6.734 1.00 0.00 H new ATOM 333 N ALA A 26 -1.454 -5.817 4.103 1.00 0.00 N ATOM 334 CA ALA A 26 -0.675 -4.764 3.463 1.00 0.00 C ATOM 335 C ALA A 26 -0.813 -3.445 4.215 1.00 0.00 C ATOM 336 O ALA A 26 -1.890 -3.110 4.709 1.00 0.00 O ATOM 337 CB ALA A 26 -1.107 -4.596 2.013 1.00 0.00 C ATOM 0 H ALA A 26 -2.146 -6.258 3.497 1.00 0.00 H new ATOM 0 HA ALA A 26 0.375 -5.057 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.517 -3.807 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.950 -5.531 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.163 -4.330 1.977 1.00 0.00 H new ATOM 343 N THR A 27 0.284 -2.699 4.299 1.00 0.00 N ATOM 344 CA THR A 27 0.286 -1.418 4.992 1.00 0.00 C ATOM 345 C THR A 27 1.084 -0.375 4.219 1.00 0.00 C ATOM 346 O THR A 27 2.305 -0.479 4.093 1.00 0.00 O ATOM 347 CB THR A 27 0.872 -1.547 6.411 1.00 0.00 C ATOM 348 OG1 THR A 27 0.116 -2.498 7.169 1.00 0.00 O ATOM 349 CG2 THR A 27 0.866 -0.203 7.124 1.00 0.00 C ATOM 0 H THR A 27 1.183 -2.961 3.895 1.00 0.00 H new ATOM 0 HA THR A 27 -0.753 -1.097 5.063 1.00 0.00 H new ATOM 0 HB THR A 27 1.903 -1.889 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.496 -2.575 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.284 -0.320 8.124 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.467 0.511 6.560 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.157 0.164 7.200 1.00 0.00 H new ATOM 357 N LEU A 28 0.388 0.632 3.701 1.00 0.00 N ATOM 358 CA LEU A 28 1.033 1.696 2.939 1.00 0.00 C ATOM 359 C LEU A 28 0.919 3.032 3.666 1.00 0.00 C ATOM 360 O LEU A 28 0.003 3.240 4.462 1.00 0.00 O ATOM 361 CB LEU A 28 0.407 1.804 1.547 1.00 0.00 C ATOM 362 CG LEU A 28 0.710 0.656 0.584 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.247 -0.503 0.817 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.629 1.135 -0.858 1.00 0.00 C ATOM 0 H LEU A 28 -0.623 0.734 3.795 1.00 0.00 H new ATOM 0 HA LEU A 28 2.090 1.448 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.674 1.880 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.745 2.734 1.090 1.00 0.00 H new ATOM 0 HG LEU A 28 1.725 0.306 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.016 -1.311 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.140 -0.863 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.271 -0.167 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.847 0.305 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.374 1.512 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.355 1.932 -1.018 1.00 0.00 H new ATOM 376 N TRP A 29 1.852 3.933 3.385 1.00 0.00 N ATOM 377 CA TRP A 29 1.855 5.251 4.011 1.00 0.00 C ATOM 378 C TRP A 29 2.496 6.287 3.094 1.00 0.00 C ATOM 379 O TRP A 29 3.221 5.940 2.161 1.00 0.00 O ATOM 380 CB TRP A 29 2.600 5.202 5.346 1.00 0.00 C ATOM 381 CG TRP A 29 4.091 5.190 5.194 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.906 4.094 5.189 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.945 6.328 5.026 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.215 4.482 5.029 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.265 5.847 4.926 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.723 7.705 4.949 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.355 6.696 4.754 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.806 8.546 4.779 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.108 8.039 4.682 1.00 0.00 C ATOM 0 H TRP A 29 2.616 3.776 2.728 1.00 0.00 H new ATOM 0 HA TRP A 29 0.821 5.543 4.191 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.310 6.064 5.947 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.291 4.312 5.894 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.571 3.073 5.295 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.019 3.855 4.993 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.722 8.105 5.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.360 6.308 4.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.646 9.612 4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.933 8.722 4.548 1.00 0.00 H new ATOM 400 N CYS A 30 2.224 7.559 3.365 1.00 0.00 N ATOM 401 CA CYS A 30 2.775 8.646 2.564 1.00 0.00 C ATOM 402 C CYS A 30 2.808 9.946 3.361 1.00 0.00 C ATOM 403 O CYS A 30 2.060 10.114 4.323 1.00 0.00 O ATOM 404 CB CYS A 30 1.950 8.836 1.290 1.00 0.00 C ATOM 405 SG CYS A 30 0.252 9.383 1.584 1.00 0.00 S ATOM 0 H CYS A 30 1.625 7.863 4.133 1.00 0.00 H new ATOM 0 HA CYS A 30 3.797 8.382 2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.450 9.565 0.652 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.927 7.895 0.741 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.001 10.426 0.850 1.00 0.00 H new ATOM 411 N GLU A 31 3.682 10.862 2.953 1.00 0.00 N ATOM 412 CA GLU A 31 3.814 12.146 3.632 1.00 0.00 C ATOM 413 C GLU A 31 3.027 13.230 2.902 1.00 0.00 C ATOM 414 O GLU A 31 2.759 13.120 1.705 1.00 0.00 O ATOM 415 CB GLU A 31 5.287 12.547 3.729 1.00 0.00 C ATOM 416 CG GLU A 31 5.515 13.855 4.469 1.00 0.00 C ATOM 417 CD GLU A 31 6.915 13.966 5.039 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.129 13.510 6.182 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.797 14.510 4.342 1.00 0.00 O ATOM 0 H GLU A 31 4.308 10.739 2.157 1.00 0.00 H new ATOM 0 HA GLU A 31 3.407 12.041 4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.838 11.753 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.699 12.632 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.336 14.688 3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.789 13.942 5.278 1.00 0.00 H new ATOM 426 N LEU A 32 2.659 14.278 3.631 1.00 0.00 N ATOM 427 CA LEU A 32 1.902 15.383 3.055 1.00 0.00 C ATOM 428 C LEU A 32 2.523 16.724 3.432 1.00 0.00 C ATOM 429 O LEU A 32 2.932 16.931 4.575 1.00 0.00 O ATOM 430 CB LEU A 32 0.447 15.332 3.526 1.00 0.00 C ATOM 431 CG LEU A 32 -0.559 16.120 2.685 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.656 15.537 1.284 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.924 16.128 3.358 1.00 0.00 C ATOM 0 H LEU A 32 2.873 14.385 4.623 1.00 0.00 H new ATOM 0 HA LEU A 32 1.930 15.282 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.131 14.289 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.404 15.703 4.550 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.210 17.149 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.376 16.110 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.321 15.583 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.982 14.499 1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.628 16.693 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.281 15.104 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.843 16.593 4.341 1.00 0.00 H new ATOM 445 N SER A 33 2.589 17.633 2.465 1.00 0.00 N ATOM 446 CA SER A 33 3.162 18.954 2.695 1.00 0.00 C ATOM 447 C SER A 33 2.354 19.723 3.736 1.00 0.00 C ATOM 448 O SER A 33 2.847 20.674 4.344 1.00 0.00 O ATOM 449 CB SER A 33 3.213 19.746 1.387 1.00 0.00 C ATOM 450 OG SER A 33 2.025 20.495 1.197 1.00 0.00 O ATOM 0 H SER A 33 2.253 17.479 1.514 1.00 0.00 H new ATOM 0 HA SER A 33 4.176 18.822 3.072 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.072 20.417 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.353 19.062 0.550 1.00 0.00 H new ATOM 0 HG SER A 33 2.144 21.112 0.445 1.00 0.00 H new ATOM 456 N LYS A 34 1.109 19.304 3.938 1.00 0.00 N ATOM 457 CA LYS A 34 0.231 19.950 4.906 1.00 0.00 C ATOM 458 C LYS A 34 -0.670 18.927 5.590 1.00 0.00 C ATOM 459 O LYS A 34 -1.328 18.125 4.928 1.00 0.00 O ATOM 460 CB LYS A 34 -0.622 21.018 4.218 1.00 0.00 C ATOM 461 CG LYS A 34 -1.744 21.554 5.090 1.00 0.00 C ATOM 462 CD LYS A 34 -1.247 22.633 6.037 1.00 0.00 C ATOM 463 CE LYS A 34 -0.691 22.036 7.320 1.00 0.00 C ATOM 464 NZ LYS A 34 -0.627 23.040 8.418 1.00 0.00 N ATOM 0 H LYS A 34 0.685 18.519 3.443 1.00 0.00 H new ATOM 0 HA LYS A 34 0.854 20.424 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.020 21.846 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.049 20.599 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.535 21.959 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.181 20.737 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.474 23.223 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.064 23.314 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.315 21.198 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.307 21.639 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.243 22.593 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.011 23.828 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.582 23.401 8.615 1.00 0.00 H new ATOM 478 N ALA A 35 -0.695 18.962 6.918 1.00 0.00 N ATOM 479 CA ALA A 35 -1.519 18.041 7.691 1.00 0.00 C ATOM 480 C ALA A 35 -3.000 18.247 7.395 1.00 0.00 C ATOM 481 O ALA A 35 -3.677 19.020 8.073 1.00 0.00 O ATOM 482 CB ALA A 35 -1.247 18.211 9.179 1.00 0.00 C ATOM 0 H ALA A 35 -0.154 19.618 7.481 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.256 17.025 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.869 17.517 9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.196 18.005 9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.481 19.233 9.477 1.00 0.00 H new ATOM 488 N ALA A 36 -3.498 17.552 6.377 1.00 0.00 N ATOM 489 CA ALA A 36 -4.900 17.659 5.992 1.00 0.00 C ATOM 490 C ALA A 36 -5.523 16.280 5.802 1.00 0.00 C ATOM 491 O ALA A 36 -4.833 15.286 5.578 1.00 0.00 O ATOM 492 CB ALA A 36 -5.036 18.481 4.719 1.00 0.00 C ATOM 0 H ALA A 36 -2.951 16.909 5.804 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.435 18.164 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.088 18.553 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.636 19.481 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.482 17.999 3.914 1.00 0.00 H new ATOM 498 N PRO A 37 -6.860 16.216 5.896 1.00 0.00 N ATOM 499 CA PRO A 37 -7.606 14.964 5.738 1.00 0.00 C ATOM 500 C PRO A 37 -7.584 14.454 4.301 1.00 0.00 C ATOM 501 O PRO A 37 -8.256 15.001 3.427 1.00 0.00 O ATOM 502 CB PRO A 37 -9.030 15.346 6.148 1.00 0.00 C ATOM 503 CG PRO A 37 -9.119 16.811 5.892 1.00 0.00 C ATOM 504 CD PRO A 37 -7.746 17.362 6.162 1.00 0.00 C ATOM 0 HA PRO A 37 -7.179 14.157 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.770 14.797 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.215 15.116 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.424 17.010 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.861 17.276 6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.517 18.206 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.649 17.715 7.189 1.00 0.00 H new ATOM 512 N VAL A 38 -6.807 13.401 4.064 1.00 0.00 N ATOM 513 CA VAL A 38 -6.699 12.816 2.733 1.00 0.00 C ATOM 514 C VAL A 38 -7.768 11.751 2.512 1.00 0.00 C ATOM 515 O VAL A 38 -8.621 11.528 3.371 1.00 0.00 O ATOM 516 CB VAL A 38 -5.311 12.188 2.507 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.213 13.206 2.776 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.134 10.957 3.384 1.00 0.00 C ATOM 0 H VAL A 38 -6.244 12.936 4.776 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.844 13.626 2.019 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.238 11.878 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.240 12.744 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.331 14.055 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.281 13.550 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.148 10.526 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.228 11.241 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.900 10.221 3.137 1.00 0.00 H new ATOM 528 N GLU A 39 -7.715 11.098 1.356 1.00 0.00 N ATOM 529 CA GLU A 39 -8.680 10.057 1.023 1.00 0.00 C ATOM 530 C GLU A 39 -8.025 8.952 0.198 1.00 0.00 C ATOM 531 O GLU A 39 -7.305 9.224 -0.762 1.00 0.00 O ATOM 532 CB GLU A 39 -9.860 10.652 0.252 1.00 0.00 C ATOM 533 CG GLU A 39 -11.028 9.693 0.091 1.00 0.00 C ATOM 534 CD GLU A 39 -11.973 9.720 1.277 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.499 9.530 2.417 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.185 9.932 1.066 1.00 0.00 O ATOM 0 H GLU A 39 -7.015 11.271 0.635 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.045 9.624 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.205 11.548 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.518 10.964 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.580 9.947 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.646 8.681 -0.042 1.00 0.00 H new ATOM 543 N TRP A 40 -8.281 7.706 0.581 1.00 0.00 N ATOM 544 CA TRP A 40 -7.716 6.560 -0.122 1.00 0.00 C ATOM 545 C TRP A 40 -8.733 5.957 -1.085 1.00 0.00 C ATOM 546 O TRP A 40 -9.920 5.866 -0.773 1.00 0.00 O ATOM 547 CB TRP A 40 -7.253 5.499 0.879 1.00 0.00 C ATOM 548 CG TRP A 40 -6.125 5.959 1.752 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.195 6.859 2.776 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.757 5.542 1.674 1.00 0.00 C ATOM 551 NE1 TRP A 40 -4.953 7.027 3.341 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.054 6.229 2.683 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.058 4.653 0.853 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.689 6.055 2.890 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.703 4.482 1.059 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.029 5.179 2.071 1.00 0.00 C ATOM 0 H TRP A 40 -8.876 7.464 1.374 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.858 6.906 -0.698 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.095 5.211 1.508 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.942 4.607 0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.094 7.365 3.095 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.736 7.645 4.123 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.568 4.109 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.169 6.592 3.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.153 3.799 0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.969 5.022 2.207 1.00 0.00 H new ATOM 567 N ARG A 41 -8.260 5.548 -2.258 1.00 0.00 N ATOM 568 CA ARG A 41 -9.129 4.955 -3.267 1.00 0.00 C ATOM 569 C ARG A 41 -8.507 3.685 -3.841 1.00 0.00 C ATOM 570 O ARG A 41 -7.306 3.632 -4.104 1.00 0.00 O ATOM 571 CB ARG A 41 -9.398 5.957 -4.391 1.00 0.00 C ATOM 572 CG ARG A 41 -10.200 7.169 -3.947 1.00 0.00 C ATOM 573 CD ARG A 41 -10.378 8.165 -5.082 1.00 0.00 C ATOM 574 NE ARG A 41 -10.935 9.432 -4.616 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.230 10.446 -5.421 1.00 0.00 C ATOM 576 NH1 ARG A 41 -11.022 10.342 -6.727 1.00 0.00 N ATOM 577 NH2 ARG A 41 -11.734 11.567 -4.922 1.00 0.00 N ATOM 0 H ARG A 41 -7.280 5.617 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.073 4.693 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.446 6.293 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.933 5.453 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.177 6.848 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.696 7.654 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.415 8.346 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.034 7.737 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.107 9.544 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.635 9.482 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.249 11.122 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.896 11.651 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.960 12.345 -5.542 1.00 0.00 H new ATOM 591 N LYS A 42 -9.334 2.662 -4.033 1.00 0.00 N ATOM 592 CA LYS A 42 -8.868 1.392 -4.576 1.00 0.00 C ATOM 593 C LYS A 42 -9.546 1.089 -5.909 1.00 0.00 C ATOM 594 O LYS A 42 -10.654 0.556 -5.945 1.00 0.00 O ATOM 595 CB LYS A 42 -9.139 0.259 -3.584 1.00 0.00 C ATOM 596 CG LYS A 42 -9.018 -1.126 -4.195 1.00 0.00 C ATOM 597 CD LYS A 42 -9.299 -2.214 -3.172 1.00 0.00 C ATOM 598 CE LYS A 42 -9.068 -3.600 -3.754 1.00 0.00 C ATOM 599 NZ LYS A 42 -8.679 -4.584 -2.706 1.00 0.00 N ATOM 0 H LYS A 42 -10.331 2.688 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.794 1.469 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.441 0.342 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.141 0.379 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.715 -1.219 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.016 -1.259 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.657 -2.072 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.329 -2.131 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.976 -3.940 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.287 -3.550 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.981 -5.536 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.646 -4.570 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.138 -4.333 -1.807 1.00 0.00 H new ATOM 613 N GLY A 43 -8.871 1.431 -7.003 1.00 0.00 N ATOM 614 CA GLY A 43 -9.424 1.186 -8.322 1.00 0.00 C ATOM 615 C GLY A 43 -10.558 2.133 -8.661 1.00 0.00 C ATOM 616 O GLY A 43 -10.327 3.299 -8.982 1.00 0.00 O ATOM 0 H GLY A 43 -7.952 1.873 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.635 1.287 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.784 0.159 -8.376 1.00 0.00 H new ATOM 620 N HIS A 44 -11.787 1.632 -8.591 1.00 0.00 N ATOM 621 CA HIS A 44 -12.961 2.442 -8.894 1.00 0.00 C ATOM 622 C HIS A 44 -13.894 2.519 -7.689 1.00 0.00 C ATOM 623 O HIS A 44 -15.099 2.300 -7.811 1.00 0.00 O ATOM 624 CB HIS A 44 -13.709 1.865 -10.096 1.00 0.00 C ATOM 625 CG HIS A 44 -12.812 1.495 -11.237 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.718 2.240 -12.394 1.00 0.00 N ATOM 627 CD2 HIS A 44 -11.964 0.451 -11.395 1.00 0.00 C ATOM 628 CE1 HIS A 44 -11.853 1.671 -13.213 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.381 0.583 -12.631 1.00 0.00 N ATOM 0 H HIS A 44 -11.996 0.669 -8.327 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.623 3.450 -9.135 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -14.263 0.982 -9.779 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.442 2.594 -10.442 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.780 -0.339 -10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.578 2.033 -14.192 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.695 -0.055 -13.034 1.00 0.00 H new ATOM 638 N GLU A 45 -13.328 2.830 -6.527 1.00 0.00 N ATOM 639 CA GLU A 45 -14.110 2.934 -5.301 1.00 0.00 C ATOM 640 C GLU A 45 -13.319 3.651 -4.210 1.00 0.00 C ATOM 641 O GLU A 45 -12.088 3.620 -4.197 1.00 0.00 O ATOM 642 CB GLU A 45 -14.524 1.543 -4.815 1.00 0.00 C ATOM 643 CG GLU A 45 -15.620 1.568 -3.763 1.00 0.00 C ATOM 644 CD GLU A 45 -15.866 0.205 -3.145 1.00 0.00 C ATOM 645 OE1 GLU A 45 -14.928 -0.619 -3.130 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.998 -0.038 -2.676 1.00 0.00 O ATOM 0 H GLU A 45 -12.332 3.014 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.005 3.517 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.864 0.955 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.651 1.035 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.350 2.275 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.544 1.930 -4.214 1.00 0.00 H new ATOM 653 N THR A 46 -14.036 4.298 -3.296 1.00 0.00 N ATOM 654 CA THR A 46 -13.403 5.024 -2.202 1.00 0.00 C ATOM 655 C THR A 46 -13.367 4.183 -0.932 1.00 0.00 C ATOM 656 O THR A 46 -14.409 3.810 -0.391 1.00 0.00 O ATOM 657 CB THR A 46 -14.136 6.347 -1.908 1.00 0.00 C ATOM 658 OG1 THR A 46 -14.191 7.150 -3.092 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.436 7.118 -0.799 1.00 0.00 C ATOM 0 H THR A 46 -15.055 4.334 -3.292 1.00 0.00 H new ATOM 0 HA THR A 46 -12.383 5.244 -2.517 1.00 0.00 H new ATOM 0 HB THR A 46 -15.149 6.111 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.660 7.988 -2.897 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.971 8.048 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.421 6.516 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.413 7.343 -1.102 1.00 0.00 H new ATOM 667 N LEU A 47 -12.162 3.887 -0.458 1.00 0.00 N ATOM 668 CA LEU A 47 -11.989 3.089 0.751 1.00 0.00 C ATOM 669 C LEU A 47 -12.688 3.743 1.939 1.00 0.00 C ATOM 670 O LEU A 47 -12.872 4.960 1.971 1.00 0.00 O ATOM 671 CB LEU A 47 -10.502 2.906 1.058 1.00 0.00 C ATOM 672 CG LEU A 47 -9.724 2.007 0.096 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.269 1.899 0.525 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.364 0.629 0.019 1.00 0.00 C ATOM 0 H LEU A 47 -11.290 4.188 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.441 2.112 0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.030 3.888 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.407 2.497 2.064 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.756 2.456 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.731 1.255 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.816 2.890 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.216 1.474 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.797 0.003 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.364 0.172 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.390 0.724 -0.337 1.00 0.00 H new ATOM 686 N ARG A 48 -13.074 2.927 2.914 1.00 0.00 N ATOM 687 CA ARG A 48 -13.752 3.426 4.105 1.00 0.00 C ATOM 688 C ARG A 48 -13.291 2.673 5.349 1.00 0.00 C ATOM 689 O ARG A 48 -13.046 1.467 5.301 1.00 0.00 O ATOM 690 CB ARG A 48 -15.268 3.294 3.948 1.00 0.00 C ATOM 691 CG ARG A 48 -15.845 4.169 2.847 1.00 0.00 C ATOM 692 CD ARG A 48 -17.358 4.040 2.768 1.00 0.00 C ATOM 693 NE ARG A 48 -18.033 4.925 3.713 1.00 0.00 N ATOM 694 CZ ARG A 48 -17.984 6.250 3.643 1.00 0.00 C ATOM 695 NH1 ARG A 48 -17.295 6.841 2.677 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.625 6.988 4.541 1.00 0.00 N ATOM 0 H ARG A 48 -12.929 1.917 2.903 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.496 4.479 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.514 2.253 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.746 3.551 4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.577 5.210 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.404 3.889 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.689 4.271 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.645 3.008 2.970 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.572 4.502 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.801 6.278 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.259 7.859 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.156 6.537 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.586 8.006 4.486 1.00 0.00 H new ATOM 710 N ASP A 49 -13.176 3.391 6.460 1.00 0.00 N ATOM 711 CA ASP A 49 -12.745 2.791 7.718 1.00 0.00 C ATOM 712 C ASP A 49 -13.921 2.143 8.442 1.00 0.00 C ATOM 713 O ASP A 49 -14.934 2.791 8.705 1.00 0.00 O ATOM 714 CB ASP A 49 -12.096 3.846 8.615 1.00 0.00 C ATOM 715 CG ASP A 49 -13.056 4.959 8.988 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.849 4.766 9.933 1.00 0.00 O ATOM 717 OD2 ASP A 49 -13.012 6.022 8.336 1.00 0.00 O ATOM 0 H ASP A 49 -13.375 4.390 6.516 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.011 2.018 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.727 3.369 9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.232 4.271 8.104 1.00 0.00 H new ATOM 765 N HIS A 53 -10.637 -2.481 6.810 1.00 0.00 N ATOM 766 CA HIS A 53 -9.843 -1.348 6.348 1.00 0.00 C ATOM 767 C HIS A 53 -9.610 -0.351 7.480 1.00 0.00 C ATOM 768 O HIS A 53 -10.481 -0.139 8.323 1.00 0.00 O ATOM 769 CB HIS A 53 -10.540 -0.654 5.178 1.00 0.00 C ATOM 770 CG HIS A 53 -10.420 -1.398 3.883 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.407 -2.230 3.399 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.422 -1.429 2.970 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.021 -2.743 2.245 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.819 -2.272 1.961 1.00 0.00 N ATOM 0 HA HIS A 53 -8.876 -1.725 6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.596 -0.527 5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.119 0.344 5.055 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.487 -0.891 3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.590 -3.430 1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.275 -2.498 1.128 1.00 0.00 H new ATOM 783 N SER A 54 -8.428 0.257 7.491 1.00 0.00 N ATOM 784 CA SER A 54 -8.078 1.227 8.522 1.00 0.00 C ATOM 785 C SER A 54 -7.459 2.477 7.903 1.00 0.00 C ATOM 786 O SER A 54 -6.298 2.472 7.493 1.00 0.00 O ATOM 787 CB SER A 54 -7.105 0.608 9.527 1.00 0.00 C ATOM 788 OG SER A 54 -7.581 -0.644 9.992 1.00 0.00 O ATOM 0 H SER A 54 -7.697 0.095 6.798 1.00 0.00 H new ATOM 0 HA SER A 54 -8.992 1.513 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.128 0.479 9.061 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.969 1.285 10.370 1.00 0.00 H new ATOM 0 HG SER A 54 -6.941 -1.020 10.632 1.00 0.00 H new ATOM 794 N LEU A 55 -8.244 3.548 7.839 1.00 0.00 N ATOM 795 CA LEU A 55 -7.775 4.807 7.270 1.00 0.00 C ATOM 796 C LEU A 55 -7.581 5.857 8.359 1.00 0.00 C ATOM 797 O LEU A 55 -8.549 6.362 8.928 1.00 0.00 O ATOM 798 CB LEU A 55 -8.767 5.317 6.224 1.00 0.00 C ATOM 799 CG LEU A 55 -8.971 4.423 5.000 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.099 3.434 5.244 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.256 5.266 3.765 1.00 0.00 C ATOM 0 H LEU A 55 -9.207 3.569 8.174 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.813 4.625 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.733 5.462 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.432 6.296 5.882 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.053 3.861 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.230 2.806 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.855 2.808 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.023 3.977 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.398 4.613 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.159 5.855 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.415 5.934 3.579 1.00 0.00 H new ATOM 813 N ARG A 56 -6.324 6.184 8.642 1.00 0.00 N ATOM 814 CA ARG A 56 -6.004 7.175 9.662 1.00 0.00 C ATOM 815 C ARG A 56 -4.680 7.868 9.349 1.00 0.00 C ATOM 816 O ARG A 56 -3.707 7.221 8.964 1.00 0.00 O ATOM 817 CB ARG A 56 -5.934 6.516 11.040 1.00 0.00 C ATOM 818 CG ARG A 56 -4.902 5.404 11.132 1.00 0.00 C ATOM 819 CD ARG A 56 -4.702 4.947 12.569 1.00 0.00 C ATOM 820 NE ARG A 56 -5.841 4.179 13.063 1.00 0.00 N ATOM 821 CZ ARG A 56 -6.018 2.886 12.817 1.00 0.00 C ATOM 822 NH1 ARG A 56 -5.134 2.219 12.087 1.00 0.00 N ATOM 823 NH2 ARG A 56 -7.081 2.256 13.301 1.00 0.00 N ATOM 0 H ARG A 56 -5.511 5.777 8.179 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.795 7.925 9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.703 7.277 11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.915 6.111 11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.220 4.559 10.521 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.953 5.752 10.724 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.800 4.339 12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.547 5.817 13.208 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.539 4.662 13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.316 2.699 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.273 1.226 11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.763 2.765 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.216 1.263 13.111 1.00 0.00 H new ATOM 837 N GLN A 57 -4.654 9.186 9.518 1.00 0.00 N ATOM 838 CA GLN A 57 -3.450 9.965 9.253 1.00 0.00 C ATOM 839 C GLN A 57 -3.118 10.872 10.433 1.00 0.00 C ATOM 840 O GLN A 57 -4.001 11.255 11.202 1.00 0.00 O ATOM 841 CB GLN A 57 -3.628 10.802 7.985 1.00 0.00 C ATOM 842 CG GLN A 57 -4.212 12.182 8.244 1.00 0.00 C ATOM 843 CD GLN A 57 -4.218 13.055 7.005 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.079 12.913 6.136 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.254 13.964 6.916 1.00 0.00 N ATOM 0 H GLN A 57 -5.452 9.736 9.837 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.622 9.271 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.661 10.912 7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.278 10.265 7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.232 12.077 8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.637 12.674 9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.561 14.047 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.207 14.579 6.104 1.00 0.00 H new ATOM 854 N ASP A 58 -1.842 11.213 10.571 1.00 0.00 N ATOM 855 CA ASP A 58 -1.393 12.077 11.657 1.00 0.00 C ATOM 856 C ASP A 58 -0.160 12.874 11.244 1.00 0.00 C ATOM 857 O ASP A 58 0.707 12.370 10.531 1.00 0.00 O ATOM 858 CB ASP A 58 -1.085 11.245 12.903 1.00 0.00 C ATOM 859 CG ASP A 58 -2.291 11.088 13.808 1.00 0.00 C ATOM 860 OD1 ASP A 58 -2.699 12.091 14.431 1.00 0.00 O ATOM 861 OD2 ASP A 58 -2.826 9.963 13.894 1.00 0.00 O ATOM 0 H ASP A 58 -1.099 10.904 9.944 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.195 12.778 11.886 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.731 10.260 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.275 11.717 13.460 1.00 0.00 H new ATOM 866 N GLY A 59 -0.090 14.122 11.696 1.00 0.00 N ATOM 867 CA GLY A 59 1.040 14.970 11.362 1.00 0.00 C ATOM 868 C GLY A 59 1.491 14.795 9.925 1.00 0.00 C ATOM 869 O GLY A 59 2.632 14.412 9.668 1.00 0.00 O ATOM 0 H GLY A 59 -0.795 14.561 12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.770 16.013 11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.871 14.743 12.031 1.00 0.00 H new ATOM 873 N SER A 60 0.592 15.076 8.986 1.00 0.00 N ATOM 874 CA SER A 60 0.902 14.943 7.568 1.00 0.00 C ATOM 875 C SER A 60 1.469 13.559 7.263 1.00 0.00 C ATOM 876 O SER A 60 2.477 13.429 6.569 1.00 0.00 O ATOM 877 CB SER A 60 1.899 16.021 7.138 1.00 0.00 C ATOM 878 OG SER A 60 1.228 17.193 6.709 1.00 0.00 O ATOM 0 H SER A 60 -0.356 15.397 9.182 1.00 0.00 H new ATOM 0 HA SER A 60 -0.023 15.070 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.561 16.261 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.525 15.641 6.331 1.00 0.00 H new ATOM 0 HG SER A 60 1.592 17.481 5.846 1.00 0.00 H new ATOM 884 N ARG A 61 0.813 12.529 7.788 1.00 0.00 N ATOM 885 CA ARG A 61 1.252 11.156 7.574 1.00 0.00 C ATOM 886 C ARG A 61 0.056 10.215 7.460 1.00 0.00 C ATOM 887 O ARG A 61 -0.603 9.909 8.455 1.00 0.00 O ATOM 888 CB ARG A 61 2.163 10.704 8.717 1.00 0.00 C ATOM 889 CG ARG A 61 2.996 9.477 8.385 1.00 0.00 C ATOM 890 CD ARG A 61 3.679 8.916 9.622 1.00 0.00 C ATOM 891 NE ARG A 61 3.900 7.476 9.519 1.00 0.00 N ATOM 892 CZ ARG A 61 4.491 6.754 10.464 1.00 0.00 C ATOM 893 NH1 ARG A 61 4.917 7.334 11.577 1.00 0.00 N ATOM 894 NH2 ARG A 61 4.656 5.448 10.297 1.00 0.00 N ATOM 0 H ARG A 61 -0.024 12.620 8.364 1.00 0.00 H new ATOM 0 HA ARG A 61 1.811 11.122 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.830 11.524 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.552 10.491 9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.358 8.712 7.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.747 9.737 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.634 9.420 9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.069 9.127 10.500 1.00 0.00 H new ATOM 0 HE ARG A 61 3.583 6.999 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.791 8.338 11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.371 6.777 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.329 4.998 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.110 4.894 11.023 1.00 0.00 H new ATOM 908 N CYS A 62 -0.219 9.760 6.243 1.00 0.00 N ATOM 909 CA CYS A 62 -1.336 8.855 5.999 1.00 0.00 C ATOM 910 C CYS A 62 -0.898 7.400 6.137 1.00 0.00 C ATOM 911 O CYS A 62 0.182 7.022 5.684 1.00 0.00 O ATOM 912 CB CYS A 62 -1.918 9.094 4.605 1.00 0.00 C ATOM 913 SG CYS A 62 -1.755 10.797 4.019 1.00 0.00 S ATOM 0 H CYS A 62 0.316 10.003 5.410 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.104 9.057 6.746 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.423 8.429 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.974 8.823 4.612 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.987 10.823 2.970 1.00 0.00 H new ATOM 919 N GLU A 63 -1.743 6.591 6.768 1.00 0.00 N ATOM 920 CA GLU A 63 -1.441 5.178 6.968 1.00 0.00 C ATOM 921 C GLU A 63 -2.662 4.313 6.668 1.00 0.00 C ATOM 922 O GLU A 63 -3.637 4.313 7.421 1.00 0.00 O ATOM 923 CB GLU A 63 -0.968 4.933 8.403 1.00 0.00 C ATOM 924 CG GLU A 63 -0.057 3.726 8.545 1.00 0.00 C ATOM 925 CD GLU A 63 0.136 3.308 9.990 1.00 0.00 C ATOM 926 OE1 GLU A 63 0.991 3.910 10.673 1.00 0.00 O ATOM 927 OE2 GLU A 63 -0.569 2.380 10.438 1.00 0.00 O ATOM 0 H GLU A 63 -2.641 6.889 7.149 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.644 4.902 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.442 5.819 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.838 4.799 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.475 2.892 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.913 3.954 8.104 1.00 0.00 H new ATOM 934 N LEU A 64 -2.601 3.577 5.565 1.00 0.00 N ATOM 935 CA LEU A 64 -3.701 2.706 5.164 1.00 0.00 C ATOM 936 C LEU A 64 -3.388 1.249 5.488 1.00 0.00 C ATOM 937 O LEU A 64 -2.261 0.791 5.303 1.00 0.00 O ATOM 938 CB LEU A 64 -3.979 2.859 3.667 1.00 0.00 C ATOM 939 CG LEU A 64 -4.988 1.879 3.068 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.348 2.044 3.729 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.097 2.078 1.564 1.00 0.00 C ATOM 0 H LEU A 64 -1.802 3.565 4.932 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.588 3.001 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.336 3.873 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.036 2.752 3.130 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.636 0.865 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.054 1.339 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.259 1.851 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.707 3.061 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.820 1.372 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.426 3.096 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.124 1.909 1.103 1.00 0.00 H new ATOM 953 N GLN A 65 -4.394 0.527 5.970 1.00 0.00 N ATOM 954 CA GLN A 65 -4.226 -0.879 6.319 1.00 0.00 C ATOM 955 C GLN A 65 -5.301 -1.736 5.657 1.00 0.00 C ATOM 956 O GLN A 65 -6.483 -1.391 5.677 1.00 0.00 O ATOM 957 CB GLN A 65 -4.276 -1.060 7.837 1.00 0.00 C ATOM 958 CG GLN A 65 -3.531 -2.290 8.328 1.00 0.00 C ATOM 959 CD GLN A 65 -3.074 -2.160 9.767 1.00 0.00 C ATOM 960 OE1 GLN A 65 -3.348 -1.159 10.430 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.371 -3.173 10.260 1.00 0.00 N ATOM 0 H GLN A 65 -5.333 0.892 6.128 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.252 -1.204 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.854 -0.175 8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.317 -1.126 8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.177 -3.163 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.665 -2.464 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.166 -3.984 9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.036 -3.140 11.223 1.00 0.00 H new ATOM 970 N ILE A 66 -4.882 -2.853 5.072 1.00 0.00 N ATOM 971 CA ILE A 66 -5.809 -3.759 4.405 1.00 0.00 C ATOM 972 C ILE A 66 -5.688 -5.175 4.959 1.00 0.00 C ATOM 973 O ILE A 66 -4.691 -5.859 4.729 1.00 0.00 O ATOM 974 CB ILE A 66 -5.569 -3.792 2.884 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.785 -2.403 2.282 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.486 -4.811 2.225 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.071 -2.197 0.964 1.00 0.00 C ATOM 0 H ILE A 66 -3.907 -3.152 5.046 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.813 -3.381 4.597 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.537 -4.090 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.853 -2.241 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.443 -1.651 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.304 -4.822 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.287 -5.800 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.525 -4.542 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.269 -1.190 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.998 -2.326 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.430 -2.926 0.238 1.00 0.00 H new ATOM 989 N ARG A 67 -6.711 -5.609 5.687 1.00 0.00 N ATOM 990 CA ARG A 67 -6.720 -6.944 6.273 1.00 0.00 C ATOM 991 C ARG A 67 -7.253 -7.971 5.278 1.00 0.00 C ATOM 992 O ARG A 67 -8.187 -7.696 4.527 1.00 0.00 O ATOM 993 CB ARG A 67 -7.570 -6.961 7.545 1.00 0.00 C ATOM 994 CG ARG A 67 -6.986 -6.136 8.679 1.00 0.00 C ATOM 995 CD ARG A 67 -8.051 -5.749 9.693 1.00 0.00 C ATOM 996 NE ARG A 67 -8.533 -6.902 10.449 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.793 -7.562 11.333 1.00 0.00 C ATOM 998 NH1 ARG A 67 -6.545 -7.184 11.572 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.302 -8.602 11.981 1.00 0.00 N ATOM 0 H ARG A 67 -7.545 -5.056 5.885 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.694 -7.208 6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.567 -6.587 7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.687 -7.992 7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.199 -6.704 9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.523 -5.236 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.644 -5.009 10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.888 -5.278 9.177 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.490 -7.218 10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.151 -6.384 11.077 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.979 -7.693 12.251 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.262 -8.895 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.733 -9.108 12.660 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.651 -9.156 5.279 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.078 -10.206 4.372 1.00 0.00 C ATOM 1015 C GLY A 68 -6.672 -9.933 2.937 1.00 0.00 C ATOM 1016 O GLY A 68 -7.524 -9.722 2.073 1.00 0.00 O ATOM 0 H GLY A 68 -5.875 -9.408 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.650 -11.156 4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.162 -10.310 4.426 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.369 -9.935 2.682 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.852 -9.684 1.341 1.00 0.00 C ATOM 1022 C LEU A 69 -5.352 -10.737 0.358 1.00 0.00 C ATOM 1023 O LEU A 69 -5.645 -11.869 0.742 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.322 -9.671 1.357 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.665 -8.321 1.651 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.153 -8.467 1.717 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.060 -7.296 0.598 1.00 0.00 C ATOM 0 H LEU A 69 -4.651 -10.108 3.386 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.215 -8.709 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.980 -10.389 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.965 -10.023 0.389 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.017 -7.969 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.703 -7.497 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.889 -9.168 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.782 -8.841 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.584 -6.342 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.737 -7.640 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.143 -7.171 0.600 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.445 -10.357 -0.912 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.906 -11.270 -1.951 1.00 0.00 C ATOM 1041 C ALA A 70 -5.352 -10.874 -3.315 1.00 0.00 C ATOM 1042 O ALA A 70 -5.155 -9.692 -3.597 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.427 -11.305 -1.986 1.00 0.00 C ATOM 0 H ALA A 70 -5.207 -9.423 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.536 -12.268 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.757 -11.991 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.805 -11.644 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.809 -10.306 -2.195 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.101 -11.870 -4.158 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.569 -11.625 -5.494 1.00 0.00 C ATOM 1051 C VAL A 71 -5.294 -10.467 -6.170 1.00 0.00 C ATOM 1052 O VAL A 71 -4.672 -9.619 -6.809 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.685 -12.878 -6.382 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.154 -12.593 -7.779 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.946 -14.048 -5.751 1.00 0.00 C ATOM 0 H VAL A 71 -5.257 -12.854 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.516 -11.370 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.738 -13.146 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.244 -13.490 -8.392 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.731 -11.786 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.106 -12.299 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.038 -14.925 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.893 -13.793 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.377 -14.266 -4.774 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.616 -10.438 -6.025 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.427 -9.383 -6.621 1.00 0.00 C ATOM 1067 C VAL A 72 -7.079 -8.022 -6.029 1.00 0.00 C ATOM 1068 O VAL A 72 -7.050 -7.015 -6.736 1.00 0.00 O ATOM 1069 CB VAL A 72 -8.930 -9.650 -6.419 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.325 -10.981 -7.040 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.283 -9.617 -4.940 1.00 0.00 C ATOM 0 H VAL A 72 -7.147 -11.133 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.207 -9.378 -7.688 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.491 -8.862 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.391 -11.152 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.110 -10.962 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.758 -11.784 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.349 -9.808 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.714 -10.383 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.040 -8.637 -4.530 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.816 -7.999 -4.727 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.469 -6.762 -4.038 1.00 0.00 C ATOM 1083 C ASP A 73 -5.276 -6.085 -4.706 1.00 0.00 C ATOM 1084 O ASP A 73 -5.251 -4.865 -4.865 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.155 -7.042 -2.568 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.364 -7.540 -1.802 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.500 -7.270 -2.245 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.176 -8.201 -0.759 1.00 0.00 O ATOM 0 H ASP A 73 -6.837 -8.824 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.325 -6.090 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.358 -7.783 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.782 -6.131 -2.100 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.288 -6.886 -5.094 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.093 -6.364 -5.745 1.00 0.00 C ATOM 1095 C ALA A 74 -3.437 -5.701 -7.074 1.00 0.00 C ATOM 1096 O ALA A 74 -3.585 -6.373 -8.094 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.078 -7.478 -5.955 1.00 0.00 C ATOM 0 H ALA A 74 -4.292 -7.898 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.656 -5.607 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.190 -7.074 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.801 -7.904 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.515 -8.255 -6.583 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.564 -4.378 -7.055 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.891 -3.646 -8.265 1.00 0.00 C ATOM 1105 C GLY A 75 -3.243 -2.277 -8.307 1.00 0.00 C ATOM 1106 O GLY A 75 -2.177 -2.106 -8.898 1.00 0.00 O ATOM 0 H GLY A 75 -3.446 -3.800 -6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.571 -4.223 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.973 -3.535 -8.338 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.889 -1.298 -7.681 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.368 0.064 -7.653 1.00 0.00 C ATOM 1112 C GLU A 76 -4.124 0.914 -6.636 1.00 0.00 C ATOM 1113 O GLU A 76 -5.355 0.956 -6.638 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.468 0.701 -9.041 1.00 0.00 C ATOM 1115 CG GLU A 76 -3.202 2.197 -9.045 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.669 2.691 -10.376 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -3.247 2.323 -11.420 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -1.675 3.447 -10.372 1.00 0.00 O ATOM 0 H GLU A 76 -4.773 -1.422 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.320 0.019 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.757 0.212 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.463 0.516 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.125 2.727 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.486 2.437 -8.259 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.379 1.590 -5.769 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.978 2.437 -4.744 1.00 0.00 C ATOM 1127 C TYR A 77 -3.615 3.902 -4.967 1.00 0.00 C ATOM 1128 O TYR A 77 -2.450 4.240 -5.175 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.520 1.993 -3.354 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.013 0.617 -2.965 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -5.250 0.448 -2.355 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -3.241 -0.512 -3.205 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -5.704 -0.807 -1.997 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -3.687 -1.771 -2.852 1.00 0.00 C ATOM 1135 CZ TYR A 77 -4.919 -1.913 -2.248 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.367 -3.165 -1.893 1.00 0.00 O ATOM 0 H TYR A 77 -2.359 1.568 -5.755 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.061 2.335 -4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.431 2.003 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.869 2.717 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.867 1.312 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.275 -0.404 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.668 -0.921 -1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.075 -2.639 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.696 -3.835 -2.140 1.00 0.00 H new ATOM 1146 N SER A 78 -4.623 4.768 -4.923 1.00 0.00 N ATOM 1147 CA SER A 78 -4.412 6.197 -5.124 1.00 0.00 C ATOM 1148 C SER A 78 -4.810 6.984 -3.879 1.00 0.00 C ATOM 1149 O SER A 78 -5.777 6.643 -3.198 1.00 0.00 O ATOM 1150 CB SER A 78 -5.215 6.688 -6.330 1.00 0.00 C ATOM 1151 OG SER A 78 -4.938 5.906 -7.479 1.00 0.00 O ATOM 0 H SER A 78 -5.593 4.505 -4.750 1.00 0.00 H new ATOM 0 HA SER A 78 -3.351 6.360 -5.313 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.280 6.644 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.975 7.732 -6.530 1.00 0.00 H new ATOM 0 HG SER A 78 -5.465 6.238 -8.236 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.057 8.040 -3.589 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.329 8.877 -2.426 1.00 0.00 C ATOM 1159 C CYS A 79 -4.363 10.352 -2.814 1.00 0.00 C ATOM 1160 O CYS A 79 -3.343 10.930 -3.188 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.272 8.645 -1.346 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.852 8.966 0.336 1.00 0.00 S ATOM 0 H CYS A 79 -3.254 8.336 -4.143 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.307 8.601 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.925 7.614 -1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.413 9.284 -1.551 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.933 7.845 0.989 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.544 10.955 -2.723 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.712 12.363 -3.065 1.00 0.00 C ATOM 1170 C VAL A 80 -6.541 13.089 -2.012 1.00 0.00 C ATOM 1171 O VAL A 80 -7.585 12.598 -1.582 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.387 12.530 -4.439 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.488 11.496 -4.623 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.937 13.940 -4.594 1.00 0.00 C ATOM 0 H VAL A 80 -6.399 10.491 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.714 12.801 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.638 12.369 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.953 11.630 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.062 10.495 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.239 11.621 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.411 14.041 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.672 14.132 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.123 14.660 -4.510 1.00 0.00 H new ATOM 1184 N CYS A 81 -6.069 14.260 -1.600 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.767 15.056 -0.596 1.00 0.00 C ATOM 1186 C CYS A 81 -7.478 16.241 -1.240 1.00 0.00 C ATOM 1187 O CYS A 81 -8.599 16.584 -0.865 1.00 0.00 O ATOM 1188 CB CYS A 81 -5.784 15.550 0.466 1.00 0.00 C ATOM 1189 SG CYS A 81 -6.527 16.622 1.718 1.00 0.00 S ATOM 0 H CYS A 81 -5.206 14.680 -1.945 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.515 14.422 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.337 14.688 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.975 16.090 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 81 -7.577 16.042 2.218 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.817 16.866 -2.210 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.401 18.008 -2.889 1.00 0.00 C ATOM 1197 C GLY A 82 -7.138 17.992 -4.381 1.00 0.00 C ATOM 1198 O GLY A 82 -7.909 17.415 -5.148 1.00 0.00 O ATOM 0 H GLY A 82 -5.888 16.602 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.477 18.020 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.997 18.926 -2.462 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.047 18.629 -4.795 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.686 18.688 -6.206 1.00 0.00 C ATOM 1204 C GLN A 83 -4.679 17.597 -6.557 1.00 0.00 C ATOM 1205 O GLN A 83 -4.779 16.961 -7.606 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.107 20.061 -6.550 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.164 21.098 -6.895 1.00 0.00 C ATOM 1208 CD GLN A 83 -7.039 21.456 -5.709 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.544 21.691 -4.606 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -8.347 21.499 -5.930 1.00 0.00 N ATOM 0 H GLN A 83 -5.398 19.111 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.590 18.525 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.519 20.420 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.423 19.957 -7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.676 21.999 -7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.790 20.718 -7.702 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.714 21.297 -6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.985 21.734 -5.170 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.710 17.386 -5.671 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.685 16.372 -5.888 1.00 0.00 C ATOM 1221 C GLU A 84 -3.247 14.972 -5.660 1.00 0.00 C ATOM 1222 O GLU A 84 -4.005 14.742 -4.717 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.493 16.612 -4.959 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.685 17.849 -5.314 1.00 0.00 C ATOM 1225 CD GLU A 84 -1.230 19.108 -4.667 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -2.107 19.755 -5.277 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -0.780 19.445 -3.553 1.00 0.00 O ATOM 0 H GLU A 84 -3.614 17.903 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.351 16.447 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.854 16.706 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.839 15.740 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.350 17.704 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.678 17.975 -6.397 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.871 14.040 -6.530 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.339 12.663 -6.425 1.00 0.00 C ATOM 1236 C ARG A 85 -2.218 11.682 -6.757 1.00 0.00 C ATOM 1237 O ARG A 85 -1.776 11.591 -7.903 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.527 12.433 -7.360 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.027 10.997 -7.368 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.992 10.749 -8.517 1.00 0.00 C ATOM 1241 NE ARG A 85 -7.319 11.292 -8.243 1.00 0.00 N ATOM 1242 CZ ARG A 85 -8.387 11.035 -8.991 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -8.283 10.246 -10.051 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -9.562 11.566 -8.677 1.00 0.00 N ATOM 0 H ARG A 85 -2.244 14.213 -7.315 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.657 12.490 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.344 13.092 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.241 12.715 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.180 10.316 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.522 10.778 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.596 11.200 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.070 9.677 -8.701 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.433 11.902 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.382 9.835 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.104 10.050 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.646 12.172 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.381 11.368 -9.252 1.00 0.00 H new ATOM 1258 N THR A 86 -1.762 10.948 -5.746 1.00 0.00 N ATOM 1259 CA THR A 86 -0.693 9.975 -5.930 1.00 0.00 C ATOM 1260 C THR A 86 -1.256 8.589 -6.222 1.00 0.00 C ATOM 1261 O THR A 86 -2.446 8.339 -6.034 1.00 0.00 O ATOM 1262 CB THR A 86 0.215 9.897 -4.688 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.390 9.136 -4.987 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.522 9.262 -3.518 1.00 0.00 C ATOM 0 H THR A 86 -2.117 11.009 -4.792 1.00 0.00 H new ATOM 0 HA THR A 86 -0.102 10.311 -6.782 1.00 0.00 H new ATOM 0 HB THR A 86 0.501 10.911 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.963 9.093 -4.193 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.139 9.218 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.400 9.860 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.834 8.253 -3.789 1.00 0.00 H new ATOM 1272 N SER A 87 -0.392 7.689 -6.682 1.00 0.00 N ATOM 1273 CA SER A 87 -0.803 6.328 -7.003 1.00 0.00 C ATOM 1274 C SER A 87 0.362 5.356 -6.846 1.00 0.00 C ATOM 1275 O SER A 87 1.526 5.744 -6.948 1.00 0.00 O ATOM 1276 CB SER A 87 -1.349 6.261 -8.431 1.00 0.00 C ATOM 1277 OG SER A 87 -0.487 6.925 -9.338 1.00 0.00 O ATOM 0 H SER A 87 0.598 7.879 -6.841 1.00 0.00 H new ATOM 0 HA SER A 87 -1.590 6.039 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.465 5.219 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.339 6.715 -8.467 1.00 0.00 H new ATOM 0 HG SER A 87 -0.857 6.866 -10.244 1.00 0.00 H new ATOM 1283 N ALA A 88 0.040 4.091 -6.596 1.00 0.00 N ATOM 1284 CA ALA A 88 1.059 3.063 -6.427 1.00 0.00 C ATOM 1285 C ALA A 88 0.465 1.668 -6.596 1.00 0.00 C ATOM 1286 O ALA A 88 -0.576 1.351 -6.020 1.00 0.00 O ATOM 1287 CB ALA A 88 1.721 3.195 -5.063 1.00 0.00 C ATOM 0 H ALA A 88 -0.918 3.754 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 88 1.814 3.204 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.480 2.421 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.188 4.176 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.970 3.083 -4.281 1.00 0.00 H new ATOM 1293 N THR A 89 1.134 0.837 -7.389 1.00 0.00 N ATOM 1294 CA THR A 89 0.672 -0.522 -7.636 1.00 0.00 C ATOM 1295 C THR A 89 1.055 -1.450 -6.489 1.00 0.00 C ATOM 1296 O THR A 89 2.127 -1.312 -5.897 1.00 0.00 O ATOM 1297 CB THR A 89 1.249 -1.083 -8.949 1.00 0.00 C ATOM 1298 OG1 THR A 89 0.837 -0.268 -10.053 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.792 -2.517 -9.173 1.00 0.00 C ATOM 0 H THR A 89 1.999 1.082 -7.871 1.00 0.00 H new ATOM 0 HA THR A 89 -0.414 -0.476 -7.716 1.00 0.00 H new ATOM 0 HB THR A 89 2.336 -1.073 -8.875 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.209 -0.630 -10.884 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.212 -2.891 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.132 -3.141 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.296 -2.548 -9.227 1.00 0.00 H new ATOM 1307 N LEU A 90 0.176 -2.396 -6.179 1.00 0.00 N ATOM 1308 CA LEU A 90 0.423 -3.348 -5.102 1.00 0.00 C ATOM 1309 C LEU A 90 0.664 -4.748 -5.658 1.00 0.00 C ATOM 1310 O LEU A 90 0.165 -5.098 -6.728 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.759 -3.369 -4.131 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.427 -3.707 -2.678 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.110 -2.443 -1.894 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.578 -4.464 -2.030 1.00 0.00 C ATOM 0 H LEU A 90 -0.715 -2.524 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 90 1.318 -3.030 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.240 -2.391 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.489 -4.093 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 90 0.455 -4.347 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.124 -2.704 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.746 -1.941 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.973 -1.777 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.324 -4.696 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.477 -3.848 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.758 -5.390 -2.576 1.00 0.00 H new ATOM 1326 N THR A 91 1.431 -5.548 -4.923 1.00 0.00 N ATOM 1327 CA THR A 91 1.737 -6.910 -5.341 1.00 0.00 C ATOM 1328 C THR A 91 1.392 -7.912 -4.245 1.00 0.00 C ATOM 1329 O THR A 91 1.939 -7.856 -3.144 1.00 0.00 O ATOM 1330 CB THR A 91 3.224 -7.063 -5.711 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.599 -6.058 -6.659 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.498 -8.442 -6.291 1.00 0.00 C ATOM 0 H THR A 91 1.852 -5.275 -4.035 1.00 0.00 H new ATOM 0 HA THR A 91 1.128 -7.115 -6.222 1.00 0.00 H new ATOM 0 HB THR A 91 3.816 -6.944 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.546 -6.161 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.555 -8.527 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.239 -9.204 -5.556 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.897 -8.585 -7.189 1.00 0.00 H new ATOM 1340 N VAL A 92 0.481 -8.829 -4.554 1.00 0.00 N ATOM 1341 CA VAL A 92 0.064 -9.846 -3.596 1.00 0.00 C ATOM 1342 C VAL A 92 0.489 -11.237 -4.050 1.00 0.00 C ATOM 1343 O VAL A 92 -0.043 -11.774 -5.022 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.463 -9.830 -3.389 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.867 -10.831 -2.318 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.937 -8.430 -3.028 1.00 0.00 C ATOM 0 H VAL A 92 0.017 -8.889 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 92 0.554 -9.610 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.942 -10.121 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.949 -10.806 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.562 -11.832 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.380 -10.574 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.018 -8.437 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.452 -8.108 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.682 -7.741 -3.833 1.00 0.00 H new ATOM 1356 N ARG A 93 1.452 -11.817 -3.341 1.00 0.00 N ATOM 1357 CA ARG A 93 1.950 -13.146 -3.672 1.00 0.00 C ATOM 1358 C ARG A 93 0.983 -14.224 -3.192 1.00 0.00 C ATOM 1359 O ARG A 93 0.917 -14.529 -2.002 1.00 0.00 O ATOM 1360 CB ARG A 93 3.329 -13.368 -3.045 1.00 0.00 C ATOM 1361 CG ARG A 93 4.351 -12.312 -3.433 1.00 0.00 C ATOM 1362 CD ARG A 93 5.522 -12.288 -2.463 1.00 0.00 C ATOM 1363 NE ARG A 93 6.475 -13.362 -2.729 1.00 0.00 N ATOM 1364 CZ ARG A 93 7.204 -13.439 -3.837 1.00 0.00 C ATOM 1365 NH1 ARG A 93 7.090 -12.510 -4.776 1.00 0.00 N ATOM 1366 NH2 ARG A 93 8.050 -14.447 -4.007 1.00 0.00 N ATOM 0 H ARG A 93 1.903 -11.387 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 93 2.035 -13.215 -4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.227 -13.382 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.701 -14.348 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.716 -12.510 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.874 -11.332 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.031 -11.327 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.149 -12.378 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 93 6.587 -14.093 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.441 -11.733 -4.649 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.651 -12.572 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.141 -15.163 -3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.609 -14.505 -4.858 1.00 0.00 H new ATOM 1380 N ALA A 94 0.233 -14.798 -4.128 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.729 -15.843 -3.802 1.00 0.00 C ATOM 1382 C ALA A 94 -0.062 -16.987 -3.047 1.00 0.00 C ATOM 1383 O ALA A 94 0.776 -17.703 -3.597 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.396 -16.360 -5.068 1.00 0.00 C ATOM 0 H ALA A 94 0.274 -14.556 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.492 -15.411 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.112 -17.140 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.915 -15.541 -5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.639 -16.770 -5.737 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.438 -17.155 -1.784 1.00 0.00 N ATOM 1391 CA LEU A 95 0.124 -18.213 -0.952 1.00 0.00 C ATOM 1392 C LEU A 95 0.024 -19.566 -1.650 1.00 0.00 C ATOM 1393 O LEU A 95 -0.880 -19.814 -2.448 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.597 -18.267 0.396 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.225 -17.177 1.401 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.380 -16.912 2.353 1.00 0.00 C ATOM 1397 CD2 LEU A 95 1.027 -17.568 2.173 1.00 0.00 C ATOM 0 H LEU A 95 -1.130 -16.572 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 95 1.177 -17.988 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.670 -18.214 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.399 -19.237 0.853 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.017 -16.259 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.097 -16.133 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.252 -16.587 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.621 -17.826 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.277 -16.780 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.847 -18.499 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.855 -17.705 1.478 1.00 0.00 H new