USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 Single : A 6 GLN : amide:sc= -0.0588 K(o=-0.059,f=-1.2!) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0477 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.00452 X(o=0.0045,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.8! K(o=-2.8!,f=-1) USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -104:sc= -2.13! (180deg=-4.46!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.134) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 96 SER OG : rot -23:sc= -0.89 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 8.078 13.285 -14.991 1.00 1.00 N ATOM 47 CA GLU A 4 7.353 12.579 -13.942 1.00 1.00 C ATOM 48 C GLU A 4 5.852 12.811 -14.081 1.00 1.00 C ATOM 49 O GLU A 4 5.047 11.924 -13.795 1.00 1.00 O ATOM 50 CB GLU A 4 7.821 13.062 -12.568 1.00 1.00 C ATOM 51 CG GLU A 4 7.061 12.307 -11.475 1.00 1.00 C ATOM 52 CD GLU A 4 8.040 11.745 -10.451 1.00 1.00 C ATOM 53 OE1 GLU A 4 8.544 10.657 -10.676 1.00 1.00 O ATOM 54 OE2 GLU A 4 8.274 12.412 -9.455 1.00 1.00 O ATOM 0 HA GLU A 4 7.556 11.512 -14.040 1.00 1.00 H new ATOM 0 HB2 GLU A 4 8.893 12.899 -12.459 1.00 1.00 H new ATOM 0 HB3 GLU A 4 7.650 14.134 -12.470 1.00 1.00 H new ATOM 0 HG2 GLU A 4 6.353 12.976 -10.985 1.00 1.00 H new ATOM 0 HG3 GLU A 4 6.480 11.497 -11.917 1.00 1.00 H new ATOM 61 N LEU A 5 5.482 14.009 -14.522 1.00 1.00 N ATOM 62 CA LEU A 5 4.073 14.346 -14.696 1.00 1.00 C ATOM 63 C LEU A 5 3.439 13.457 -15.760 1.00 1.00 C ATOM 64 O LEU A 5 2.278 13.067 -15.644 1.00 1.00 O ATOM 65 CB LEU A 5 3.935 15.818 -15.110 1.00 1.00 C ATOM 66 CG LEU A 5 3.292 16.634 -13.982 1.00 1.00 C ATOM 67 CD1 LEU A 5 1.864 16.142 -13.737 1.00 1.00 C ATOM 68 CD2 LEU A 5 4.115 16.481 -12.699 1.00 1.00 C ATOM 0 H LEU A 5 6.132 14.757 -14.764 1.00 1.00 H new ATOM 0 HA LEU A 5 3.559 14.184 -13.748 1.00 1.00 H new ATOM 0 HB2 LEU A 5 4.916 16.228 -15.350 1.00 1.00 H new ATOM 0 HB3 LEU A 5 3.329 15.893 -16.013 1.00 1.00 H new ATOM 0 HG LEU A 5 3.266 17.685 -14.271 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.411 16.725 -12.935 1.00 1.00 H new ATOM 0 HD12 LEU A 5 1.277 16.261 -14.648 1.00 1.00 H new ATOM 0 HD13 LEU A 5 1.885 15.090 -13.454 1.00 1.00 H new ATOM 0 HD21 LEU A 5 3.655 17.062 -11.900 1.00 1.00 H new ATOM 0 HD22 LEU A 5 4.148 15.430 -12.411 1.00 1.00 H new ATOM 0 HD23 LEU A 5 5.129 16.841 -12.872 1.00 1.00 H new ATOM 80 N GLN A 6 4.209 13.142 -16.797 1.00 1.00 N ATOM 81 CA GLN A 6 3.710 12.299 -17.876 1.00 1.00 C ATOM 82 C GLN A 6 3.431 10.887 -17.370 1.00 1.00 C ATOM 83 O GLN A 6 2.522 10.213 -17.854 1.00 1.00 O ATOM 84 CB GLN A 6 4.731 12.246 -19.014 1.00 1.00 C ATOM 85 CG GLN A 6 4.252 13.126 -20.170 1.00 1.00 C ATOM 86 CD GLN A 6 5.384 13.341 -21.168 1.00 1.00 C ATOM 87 OE1 GLN A 6 6.548 13.441 -20.779 1.00 1.00 O ATOM 88 NE2 GLN A 6 5.111 13.421 -22.442 1.00 1.00 N ATOM 0 H GLN A 6 5.173 13.455 -16.912 1.00 1.00 H new ATOM 0 HA GLN A 6 2.779 12.729 -18.245 1.00 1.00 H new ATOM 0 HB2 GLN A 6 5.703 12.589 -18.661 1.00 1.00 H new ATOM 0 HB3 GLN A 6 4.859 11.218 -19.354 1.00 1.00 H new ATOM 0 HG2 GLN A 6 3.403 12.657 -20.667 1.00 1.00 H new ATOM 0 HG3 GLN A 6 3.907 14.086 -19.787 1.00 1.00 H new ATOM 0 HE21 GLN A 6 4.146 13.338 -22.763 1.00 1.00 H new ATOM 0 HE22 GLN A 6 5.862 13.566 -23.116 1.00 1.00 H new ATOM 97 N CYS A 7 4.216 10.447 -16.392 1.00 1.00 N ATOM 98 CA CYS A 7 4.039 9.114 -15.828 1.00 1.00 C ATOM 99 C CYS A 7 2.731 9.033 -15.049 1.00 1.00 C ATOM 100 O CYS A 7 1.903 8.160 -15.299 1.00 1.00 O ATOM 101 CB CYS A 7 5.208 8.779 -14.899 1.00 1.00 C ATOM 102 SG CYS A 7 4.645 7.645 -13.606 1.00 1.00 S ATOM 0 H CYS A 7 4.974 10.988 -15.977 1.00 1.00 H new ATOM 0 HA CYS A 7 4.008 8.395 -16.647 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.020 8.325 -15.468 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.603 9.691 -14.451 1.00 1.00 H new ATOM 0 HG CYS A 7 5.638 7.358 -12.818 1.00 1.00 H new ATOM 107 N ILE A 8 2.552 9.950 -14.106 1.00 1.00 N ATOM 108 CA ILE A 8 1.344 9.979 -13.290 1.00 1.00 C ATOM 109 C ILE A 8 0.092 10.036 -14.163 1.00 1.00 C ATOM 110 O ILE A 8 -0.956 9.508 -13.791 1.00 1.00 O ATOM 111 CB ILE A 8 1.371 11.193 -12.363 1.00 1.00 C ATOM 112 CG1 ILE A 8 2.645 11.157 -11.513 1.00 1.00 C ATOM 113 CG2 ILE A 8 0.148 11.162 -11.444 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.803 12.489 -10.773 1.00 1.00 C ATOM 0 H ILE A 8 3.227 10.683 -13.887 1.00 1.00 H new ATOM 0 HA ILE A 8 1.314 9.064 -12.699 1.00 1.00 H new ATOM 0 HB ILE A 8 1.355 12.105 -12.960 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.595 10.335 -10.798 1.00 1.00 H new ATOM 0 HG13 ILE A 8 3.513 10.976 -12.147 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.168 12.028 -10.783 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -0.760 11.186 -12.046 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.164 10.250 -10.847 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.709 12.464 -10.168 1.00 1.00 H new ATOM 0 HD12 ILE A 8 2.872 13.301 -11.497 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.940 12.651 -10.127 1.00 1.00 H new ATOM 126 N ARG A 9 0.203 10.689 -15.313 1.00 1.00 N ATOM 127 CA ARG A 9 -0.933 10.824 -16.217 1.00 1.00 C ATOM 128 C ARG A 9 -1.478 9.458 -16.631 1.00 1.00 C ATOM 129 O ARG A 9 -2.688 9.289 -16.780 1.00 1.00 O ATOM 130 CB ARG A 9 -0.514 11.602 -17.464 1.00 1.00 C ATOM 131 CG ARG A 9 -1.757 12.167 -18.156 1.00 1.00 C ATOM 132 CD ARG A 9 -1.959 13.623 -17.737 1.00 1.00 C ATOM 133 NE ARG A 9 -0.886 14.455 -18.274 1.00 1.00 N ATOM 134 CZ ARG A 9 -0.932 14.917 -19.519 1.00 1.00 C ATOM 135 NH1 ARG A 9 -1.948 14.628 -20.285 1.00 1.00 N ATOM 136 NH2 ARG A 9 0.039 15.659 -19.976 1.00 1.00 N ATOM 0 H ARG A 9 1.062 11.131 -15.641 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.720 11.363 -15.690 1.00 1.00 H new ATOM 0 HB2 ARG A 9 0.162 12.412 -17.190 1.00 1.00 H new ATOM 0 HB3 ARG A 9 0.030 10.949 -18.147 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.645 12.102 -19.238 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -2.634 11.576 -17.890 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -2.923 13.982 -18.097 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -1.977 13.697 -16.650 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.087 14.686 -17.683 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -2.707 14.047 -19.928 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -1.983 14.983 -21.241 1.00 1.00 H new ATOM 0 HH21 ARG A 9 0.834 15.885 -19.378 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.004 16.014 -20.932 1.00 1.00 H new ATOM 150 N GLU A 10 -0.591 8.485 -16.816 1.00 1.00 N ATOM 151 CA GLU A 10 -1.026 7.147 -17.210 1.00 1.00 C ATOM 152 C GLU A 10 -1.722 6.447 -16.044 1.00 1.00 C ATOM 153 O GLU A 10 -2.665 5.680 -16.243 1.00 1.00 O ATOM 154 CB GLU A 10 0.169 6.319 -17.721 1.00 1.00 C ATOM 155 CG GLU A 10 0.823 5.522 -16.582 1.00 1.00 C ATOM 156 CD GLU A 10 0.049 4.234 -16.305 1.00 1.00 C ATOM 157 OE1 GLU A 10 -0.910 3.975 -17.014 1.00 1.00 O ATOM 158 OE2 GLU A 10 0.427 3.531 -15.384 1.00 1.00 O ATOM 0 H GLU A 10 0.417 8.593 -16.702 1.00 1.00 H new ATOM 0 HA GLU A 10 -1.744 7.240 -18.025 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -0.166 5.635 -18.501 1.00 1.00 H new ATOM 0 HB3 GLU A 10 0.906 6.982 -18.174 1.00 1.00 H new ATOM 0 HG2 GLU A 10 1.853 5.283 -16.845 1.00 1.00 H new ATOM 0 HG3 GLU A 10 0.858 6.132 -15.679 1.00 1.00 H new ATOM 165 N CYS A 11 -1.252 6.714 -14.830 1.00 1.00 N ATOM 166 CA CYS A 11 -1.837 6.103 -13.641 1.00 1.00 C ATOM 167 C CYS A 11 -3.230 6.669 -13.381 1.00 1.00 C ATOM 168 O CYS A 11 -4.110 5.968 -12.883 1.00 1.00 O ATOM 169 CB CYS A 11 -0.944 6.364 -12.427 1.00 1.00 C ATOM 170 SG CYS A 11 -1.346 5.182 -11.117 1.00 1.00 S ATOM 0 H CYS A 11 -0.473 7.345 -14.644 1.00 1.00 H new ATOM 0 HA CYS A 11 -1.917 5.029 -13.808 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.105 6.270 -12.707 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -1.088 7.383 -12.069 1.00 1.00 H new ATOM 0 HG CYS A 11 -0.586 5.402 -10.086 1.00 1.00 H new ATOM 175 N ARG A 12 -3.421 7.938 -13.725 1.00 1.00 N ATOM 176 CA ARG A 12 -4.712 8.585 -13.527 1.00 1.00 C ATOM 177 C ARG A 12 -5.821 7.776 -14.189 1.00 1.00 C ATOM 178 O ARG A 12 -6.898 7.600 -13.621 1.00 1.00 O ATOM 179 CB ARG A 12 -4.684 9.996 -14.114 1.00 1.00 C ATOM 180 CG ARG A 12 -5.909 10.775 -13.632 1.00 1.00 C ATOM 181 CD ARG A 12 -5.829 12.217 -14.137 1.00 1.00 C ATOM 182 NE ARG A 12 -4.884 12.981 -13.331 1.00 1.00 N ATOM 183 CZ ARG A 12 -5.256 13.557 -12.194 1.00 1.00 C ATOM 184 NH1 ARG A 12 -6.488 13.440 -11.777 1.00 1.00 N ATOM 185 NH2 ARG A 12 -4.392 14.238 -11.492 1.00 1.00 N ATOM 0 H ARG A 12 -2.705 8.535 -14.139 1.00 1.00 H new ATOM 0 HA ARG A 12 -4.910 8.643 -12.457 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -3.771 10.509 -13.811 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -4.676 9.948 -15.203 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -6.821 10.301 -13.996 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -5.956 10.762 -12.543 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -5.519 12.227 -15.182 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.814 12.681 -14.092 1.00 1.00 H new ATOM 0 HE ARG A 12 -3.919 13.075 -13.647 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -7.163 12.907 -12.325 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -6.775 13.882 -10.904 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -3.429 14.328 -11.817 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -4.679 14.680 -10.619 1.00 1.00 H new ATOM 199 N LEU A 13 -5.549 7.287 -15.394 1.00 1.00 N ATOM 200 CA LEU A 13 -6.530 6.496 -16.126 1.00 1.00 C ATOM 201 C LEU A 13 -6.874 5.227 -15.352 1.00 1.00 C ATOM 202 O LEU A 13 -8.046 4.885 -15.190 1.00 1.00 O ATOM 203 CB LEU A 13 -5.976 6.127 -17.507 1.00 1.00 C ATOM 204 CG LEU A 13 -7.059 5.432 -18.343 1.00 1.00 C ATOM 205 CD1 LEU A 13 -8.217 6.398 -18.618 1.00 1.00 C ATOM 206 CD2 LEU A 13 -6.456 4.977 -19.674 1.00 1.00 C ATOM 0 H LEU A 13 -4.663 7.423 -15.881 1.00 1.00 H new ATOM 0 HA LEU A 13 -7.436 7.089 -16.248 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -5.630 7.024 -18.020 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -5.113 5.470 -17.397 1.00 1.00 H new ATOM 0 HG LEU A 13 -7.436 4.571 -17.791 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -8.979 5.893 -19.212 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.651 6.724 -17.673 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -7.846 7.265 -19.165 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -7.223 4.483 -20.271 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -6.076 5.843 -20.216 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.639 4.281 -19.484 1.00 1.00 H new ATOM 218 N ALA A 14 -5.846 4.533 -14.874 1.00 1.00 N ATOM 219 CA ALA A 14 -6.053 3.303 -14.118 1.00 1.00 C ATOM 220 C ALA A 14 -6.685 3.608 -12.763 1.00 1.00 C ATOM 221 O ALA A 14 -7.428 2.793 -12.217 1.00 1.00 O ATOM 222 CB ALA A 14 -4.718 2.586 -13.909 1.00 1.00 C ATOM 0 H ALA A 14 -4.869 4.799 -14.995 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.726 2.660 -14.685 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.882 1.669 -13.344 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.281 2.342 -14.877 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -4.039 3.236 -13.357 1.00 1.00 H new ATOM 228 N GLN A 15 -6.387 4.787 -12.229 1.00 1.00 N ATOM 229 CA GLN A 15 -6.932 5.189 -10.937 1.00 1.00 C ATOM 230 C GLN A 15 -8.391 5.612 -11.081 1.00 1.00 C ATOM 231 O GLN A 15 -9.162 5.557 -10.123 1.00 1.00 O ATOM 232 CB GLN A 15 -6.117 6.348 -10.363 1.00 1.00 C ATOM 233 CG GLN A 15 -6.781 6.854 -9.080 1.00 1.00 C ATOM 234 CD GLN A 15 -5.759 7.588 -8.220 1.00 1.00 C ATOM 235 OE1 GLN A 15 -5.884 8.791 -7.995 1.00 1.00 O ATOM 236 NE2 GLN A 15 -4.748 6.930 -7.719 1.00 1.00 N ATOM 0 H GLN A 15 -5.776 5.477 -12.666 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.877 4.337 -10.259 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.098 6.021 -10.153 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.049 7.155 -11.093 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -7.607 7.521 -9.327 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -7.202 6.017 -8.524 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -4.645 5.933 -7.906 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -4.061 7.414 -7.140 1.00 1.00 H new ATOM 598 N ALA A 45 6.403 -10.368 -5.687 1.00 1.00 N ATOM 599 CA ALA A 45 7.800 -10.409 -6.101 1.00 1.00 C ATOM 600 C ALA A 45 8.579 -9.250 -5.489 1.00 1.00 C ATOM 601 O ALA A 45 9.780 -9.362 -5.239 1.00 1.00 O ATOM 602 CB ALA A 45 7.896 -10.340 -7.625 1.00 1.00 C ATOM 0 HA ALA A 45 8.233 -11.346 -5.751 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.943 -10.371 -7.925 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.368 -11.188 -8.062 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.445 -9.412 -7.976 1.00 1.00 H new ATOM 608 N ILE A 46 7.885 -8.138 -5.253 1.00 1.00 N ATOM 609 CA ILE A 46 8.516 -6.955 -4.671 1.00 1.00 C ATOM 610 C ILE A 46 7.834 -6.574 -3.361 1.00 1.00 C ATOM 611 O ILE A 46 8.427 -5.908 -2.512 1.00 1.00 O ATOM 612 CB ILE A 46 8.430 -5.782 -5.651 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.647 -6.215 -6.894 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.840 -5.351 -6.059 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.504 -5.027 -7.849 1.00 1.00 C ATOM 0 H ILE A 46 6.891 -8.031 -5.455 1.00 1.00 H new ATOM 0 HA ILE A 46 9.562 -7.186 -4.470 1.00 1.00 H new ATOM 0 HB ILE A 46 7.921 -4.945 -5.173 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.162 -7.036 -7.393 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.663 -6.584 -6.606 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.778 -4.516 -6.757 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.397 -5.044 -5.174 1.00 1.00 H new ATOM 0 HG23 ILE A 46 10.352 -6.186 -6.538 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.947 -5.336 -8.733 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.971 -4.219 -7.348 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.493 -4.679 -8.147 1.00 1.00 H new ATOM 627 N ALA A 47 6.585 -6.998 -3.204 1.00 1.00 N ATOM 628 CA ALA A 47 5.833 -6.693 -1.992 1.00 1.00 C ATOM 629 C ALA A 47 6.468 -7.369 -0.782 1.00 1.00 C ATOM 630 O ALA A 47 6.328 -6.903 0.348 1.00 1.00 O ATOM 631 CB ALA A 47 4.385 -7.163 -2.142 1.00 1.00 C ATOM 0 H ALA A 47 6.075 -7.549 -3.894 1.00 1.00 H new ATOM 0 HA ALA A 47 5.849 -5.614 -1.840 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.831 -6.931 -1.232 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.923 -6.654 -2.988 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.368 -8.239 -2.313 1.00 1.00 H new ATOM 637 N ASN A 48 7.167 -8.472 -1.029 1.00 1.00 N ATOM 638 CA ASN A 48 7.821 -9.209 0.045 1.00 1.00 C ATOM 639 C ASN A 48 9.174 -8.584 0.362 1.00 1.00 C ATOM 640 O ASN A 48 9.790 -8.894 1.381 1.00 1.00 O ATOM 641 CB ASN A 48 8.016 -10.670 -0.365 1.00 1.00 C ATOM 642 CG ASN A 48 6.699 -11.428 -0.231 1.00 1.00 C ATOM 643 OD1 ASN A 48 6.036 -11.705 -1.230 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.281 -11.787 0.953 1.00 1.00 N ATOM 0 H ASN A 48 7.295 -8.873 -1.958 1.00 1.00 H new ATOM 0 HA ASN A 48 7.190 -9.165 0.933 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.373 -10.723 -1.393 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.778 -11.134 0.262 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.404 -12.298 1.051 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.832 -11.557 1.780 1.00 1.00 H new ATOM 651 N PHE A 49 9.629 -7.705 -0.524 1.00 1.00 N ATOM 652 CA PHE A 49 10.911 -7.041 -0.339 1.00 1.00 C ATOM 653 C PHE A 49 10.776 -5.866 0.626 1.00 1.00 C ATOM 654 O PHE A 49 11.760 -5.210 0.960 1.00 1.00 O ATOM 655 CB PHE A 49 11.439 -6.553 -1.686 1.00 1.00 C ATOM 656 CG PHE A 49 12.627 -7.396 -2.091 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.497 -8.788 -2.162 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.851 -6.790 -2.395 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.593 -9.574 -2.536 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.947 -7.576 -2.769 1.00 1.00 C ATOM 661 CZ PHE A 49 14.818 -8.968 -2.839 1.00 1.00 C ATOM 0 H PHE A 49 9.131 -7.438 -1.373 1.00 1.00 H new ATOM 0 HA PHE A 49 11.615 -7.756 0.087 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.657 -6.619 -2.442 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.729 -5.504 -1.618 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.552 -9.255 -1.928 1.00 1.00 H new ATOM 0 HD2 PHE A 49 13.950 -5.716 -2.341 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.494 -10.648 -2.591 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.892 -7.109 -3.004 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.664 -9.575 -3.127 1.00 1.00 H new ATOM 671 N LEU A 50 9.549 -5.618 1.077 1.00 1.00 N ATOM 672 CA LEU A 50 9.285 -4.530 2.019 1.00 1.00 C ATOM 673 C LEU A 50 8.676 -5.098 3.300 1.00 1.00 C ATOM 674 O LEU A 50 7.526 -5.539 3.309 1.00 1.00 O ATOM 675 CB LEU A 50 8.321 -3.510 1.393 1.00 1.00 C ATOM 676 CG LEU A 50 9.066 -2.605 0.400 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.318 -2.586 -0.934 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.132 -1.180 0.957 1.00 1.00 C ATOM 0 H LEU A 50 8.723 -6.153 0.807 1.00 1.00 H new ATOM 0 HA LEU A 50 10.224 -4.029 2.255 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.512 -4.032 0.882 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.865 -2.903 2.176 1.00 1.00 H new ATOM 0 HG LEU A 50 10.075 -2.989 0.250 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.847 -1.944 -1.638 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.264 -3.598 -1.335 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.309 -2.203 -0.780 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.661 -0.538 0.252 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.121 -0.800 1.106 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.661 -1.186 1.910 1.00 1.00 H new ATOM 690 N GLU A 51 9.460 -5.094 4.375 1.00 1.00 N ATOM 691 CA GLU A 51 8.996 -5.621 5.655 1.00 1.00 C ATOM 692 C GLU A 51 7.664 -4.977 6.067 1.00 1.00 C ATOM 693 O GLU A 51 7.375 -3.848 5.672 1.00 1.00 O ATOM 694 CB GLU A 51 10.049 -5.360 6.735 1.00 1.00 C ATOM 695 CG GLU A 51 11.069 -6.502 6.742 1.00 1.00 C ATOM 696 CD GLU A 51 10.456 -7.739 7.388 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.354 -7.757 8.604 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.072 -8.637 6.658 1.00 1.00 O ATOM 0 H GLU A 51 10.414 -4.734 4.386 1.00 1.00 H new ATOM 0 HA GLU A 51 8.840 -6.694 5.545 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.551 -4.411 6.546 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.571 -5.279 7.711 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.381 -6.730 5.723 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.963 -6.200 7.288 1.00 1.00 H new ATOM 705 N PRO A 52 6.851 -5.660 6.848 1.00 1.00 N ATOM 706 CA PRO A 52 5.541 -5.109 7.300 1.00 1.00 C ATOM 707 C PRO A 52 5.683 -3.741 7.966 1.00 1.00 C ATOM 708 O PRO A 52 5.053 -2.770 7.548 1.00 1.00 O ATOM 709 CB PRO A 52 4.998 -6.127 8.309 1.00 1.00 C ATOM 710 CG PRO A 52 5.907 -7.315 8.291 1.00 1.00 C ATOM 711 CD PRO A 52 7.092 -7.015 7.372 1.00 1.00 C ATOM 0 HA PRO A 52 4.877 -4.960 6.449 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.958 -5.692 9.307 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.981 -6.420 8.047 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.258 -7.537 9.299 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.370 -8.196 7.939 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.034 -7.063 7.918 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.155 -7.743 6.563 1.00 1.00 H new ATOM 719 N GLN A 53 6.504 -3.676 9.011 1.00 1.00 N ATOM 720 CA GLN A 53 6.708 -2.423 9.733 1.00 1.00 C ATOM 721 C GLN A 53 7.279 -1.359 8.807 1.00 1.00 C ATOM 722 O GLN A 53 6.839 -0.209 8.819 1.00 1.00 O ATOM 723 CB GLN A 53 7.661 -2.645 10.909 1.00 1.00 C ATOM 724 CG GLN A 53 7.113 -1.933 12.149 1.00 1.00 C ATOM 725 CD GLN A 53 8.169 -1.903 13.247 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.486 -2.938 13.832 1.00 1.00 O ATOM 727 NE2 GLN A 53 8.730 -0.770 13.569 1.00 1.00 N ATOM 0 H GLN A 53 7.034 -4.468 9.374 1.00 1.00 H new ATOM 0 HA GLN A 53 5.743 -2.082 10.109 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.770 -3.711 11.107 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.652 -2.263 10.665 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.816 -0.916 11.892 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.220 -2.445 12.507 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.465 0.087 13.082 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.433 -0.741 14.307 1.00 1.00 H new ATOM 736 N ALA A 54 8.254 -1.749 7.997 1.00 1.00 N ATOM 737 CA ALA A 54 8.871 -0.821 7.058 1.00 1.00 C ATOM 738 C ALA A 54 7.825 -0.292 6.086 1.00 1.00 C ATOM 739 O ALA A 54 7.937 0.824 5.575 1.00 1.00 O ATOM 740 CB ALA A 54 9.977 -1.533 6.276 1.00 1.00 C ATOM 0 H ALA A 54 8.633 -2.696 7.971 1.00 1.00 H new ATOM 0 HA ALA A 54 9.299 0.012 7.616 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.435 -0.835 5.576 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.734 -1.900 6.969 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.551 -2.372 5.726 1.00 1.00 H new ATOM 746 N LEU A 55 6.812 -1.112 5.834 1.00 1.00 N ATOM 747 CA LEU A 55 5.744 -0.735 4.913 1.00 1.00 C ATOM 748 C LEU A 55 4.909 0.407 5.481 1.00 1.00 C ATOM 749 O LEU A 55 4.537 1.334 4.761 1.00 1.00 O ATOM 750 CB LEU A 55 4.842 -1.942 4.643 1.00 1.00 C ATOM 751 CG LEU A 55 4.691 -2.142 3.134 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.791 -3.349 2.867 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.062 -0.893 2.512 1.00 1.00 C ATOM 0 H LEU A 55 6.706 -2.037 6.251 1.00 1.00 H new ATOM 0 HA LEU A 55 6.200 -0.400 3.982 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.268 -2.836 5.098 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.864 -1.787 5.099 1.00 1.00 H new ATOM 0 HG LEU A 55 5.673 -2.314 2.692 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.683 -3.492 1.792 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.237 -4.240 3.308 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.810 -3.177 3.310 1.00 1.00 H new ATOM 0 HD21 LEU A 55 3.955 -1.037 1.437 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.081 -0.721 2.955 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.702 -0.031 2.701 1.00 1.00 H new ATOM 765 N GLU A 56 4.611 0.332 6.773 1.00 1.00 N ATOM 766 CA GLU A 56 3.811 1.365 7.423 1.00 1.00 C ATOM 767 C GLU A 56 4.543 2.704 7.426 1.00 1.00 C ATOM 768 O GLU A 56 3.932 3.754 7.235 1.00 1.00 O ATOM 769 CB GLU A 56 3.494 0.950 8.862 1.00 1.00 C ATOM 770 CG GLU A 56 1.999 1.132 9.131 1.00 1.00 C ATOM 771 CD GLU A 56 1.195 0.119 8.322 1.00 1.00 C ATOM 772 OE1 GLU A 56 1.805 -0.770 7.752 1.00 1.00 O ATOM 773 OE2 GLU A 56 -0.017 0.253 8.278 1.00 1.00 O ATOM 0 H GLU A 56 4.908 -0.426 7.387 1.00 1.00 H new ATOM 0 HA GLU A 56 2.884 1.480 6.862 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.779 -0.090 9.022 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.075 1.551 9.561 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.795 1.005 10.194 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.694 2.145 8.867 1.00 1.00 H new ATOM 780 N ARG A 57 5.852 2.663 7.656 1.00 1.00 N ATOM 781 CA ARG A 57 6.645 3.882 7.693 1.00 1.00 C ATOM 782 C ARG A 57 6.546 4.643 6.373 1.00 1.00 C ATOM 783 O ARG A 57 6.184 5.820 6.353 1.00 1.00 O ATOM 784 CB ARG A 57 8.112 3.536 7.970 1.00 1.00 C ATOM 785 CG ARG A 57 8.673 4.433 9.081 1.00 1.00 C ATOM 786 CD ARG A 57 8.744 5.884 8.598 1.00 1.00 C ATOM 787 NE ARG A 57 9.839 6.054 7.650 1.00 1.00 N ATOM 788 CZ ARG A 57 10.127 7.249 7.146 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.460 8.301 7.535 1.00 1.00 N ATOM 790 NH2 ARG A 57 11.080 7.372 6.261 1.00 1.00 N ATOM 0 H ARG A 57 6.380 1.806 7.818 1.00 1.00 H new ATOM 0 HA ARG A 57 6.255 4.517 8.489 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.196 2.489 8.262 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.700 3.662 7.061 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.041 4.367 9.967 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.666 4.089 9.371 1.00 1.00 H new ATOM 0 HD2 ARG A 57 7.801 6.163 8.128 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.885 6.550 9.449 1.00 1.00 H new ATOM 0 HE ARG A 57 10.392 5.244 7.370 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.717 8.206 8.227 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.682 9.218 7.147 1.00 1.00 H new ATOM 0 HH21 ARG A 57 11.603 6.551 5.957 1.00 1.00 H new ATOM 0 HH22 ARG A 57 11.301 8.289 5.874 1.00 1.00 H new ATOM 804 N LEU A 58 6.878 3.971 5.274 1.00 1.00 N ATOM 805 CA LEU A 58 6.827 4.612 3.963 1.00 1.00 C ATOM 806 C LEU A 58 5.430 5.167 3.697 1.00 1.00 C ATOM 807 O LEU A 58 5.266 6.180 3.017 1.00 1.00 O ATOM 808 CB LEU A 58 7.209 3.603 2.871 1.00 1.00 C ATOM 809 CG LEU A 58 7.127 4.254 1.480 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.988 5.519 1.432 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.640 3.267 0.429 1.00 1.00 C ATOM 0 H LEU A 58 7.181 2.997 5.263 1.00 1.00 H new ATOM 0 HA LEU A 58 7.538 5.438 3.949 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.219 3.234 3.047 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.543 2.741 2.915 1.00 1.00 H new ATOM 0 HG LEU A 58 6.089 4.518 1.277 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.920 5.968 0.441 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.632 6.230 2.178 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.026 5.261 1.642 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.583 3.725 -0.559 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.675 3.006 0.649 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.027 2.366 0.447 1.00 1.00 H new ATOM 823 N SER A 59 4.423 4.497 4.237 1.00 1.00 N ATOM 824 CA SER A 59 3.046 4.943 4.063 1.00 1.00 C ATOM 825 C SER A 59 2.818 6.274 4.782 1.00 1.00 C ATOM 826 O SER A 59 2.124 7.155 4.277 1.00 1.00 O ATOM 827 CB SER A 59 2.083 3.891 4.615 1.00 1.00 C ATOM 828 OG SER A 59 1.555 3.128 3.539 1.00 1.00 O ATOM 0 H SER A 59 4.530 3.650 4.795 1.00 1.00 H new ATOM 0 HA SER A 59 2.860 5.082 2.998 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.602 3.239 5.318 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.275 4.374 5.165 1.00 1.00 H new ATOM 0 HG SER A 59 0.939 2.451 3.889 1.00 1.00 H new ATOM 834 N ARG A 60 3.389 6.389 5.980 1.00 1.00 N ATOM 835 CA ARG A 60 3.234 7.591 6.800 1.00 1.00 C ATOM 836 C ARG A 60 3.909 8.820 6.187 1.00 1.00 C ATOM 837 O ARG A 60 3.322 9.901 6.160 1.00 1.00 O ATOM 838 CB ARG A 60 3.820 7.340 8.190 1.00 1.00 C ATOM 839 CG ARG A 60 3.626 8.586 9.059 1.00 1.00 C ATOM 840 CD ARG A 60 3.933 8.245 10.517 1.00 1.00 C ATOM 841 NE ARG A 60 3.030 7.202 10.991 1.00 1.00 N ATOM 842 CZ ARG A 60 1.769 7.476 11.308 1.00 1.00 C ATOM 843 NH1 ARG A 60 1.322 8.698 11.208 1.00 1.00 N ATOM 844 NH2 ARG A 60 0.978 6.523 11.720 1.00 1.00 N ATOM 0 H ARG A 60 3.965 5.663 6.406 1.00 1.00 H new ATOM 0 HA ARG A 60 2.166 7.800 6.860 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.332 6.482 8.652 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.880 7.100 8.111 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.281 9.387 8.716 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.603 8.950 8.968 1.00 1.00 H new ATOM 0 HD2 ARG A 60 4.967 7.911 10.610 1.00 1.00 H new ATOM 0 HD3 ARG A 60 3.828 9.136 11.136 1.00 1.00 H new ATOM 0 HE ARG A 60 3.373 6.245 11.081 1.00 1.00 H new ATOM 0 HH11 ARG A 60 1.941 9.443 10.887 1.00 1.00 H new ATOM 0 HH12 ARG A 60 0.354 8.908 11.451 1.00 1.00 H new ATOM 0 HH21 ARG A 60 1.328 5.568 11.799 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.010 6.733 11.963 1.00 1.00 H new ATOM 858 N VAL A 61 5.142 8.665 5.714 1.00 1.00 N ATOM 859 CA VAL A 61 5.865 9.797 5.134 1.00 1.00 C ATOM 860 C VAL A 61 5.219 10.240 3.824 1.00 1.00 C ATOM 861 O VAL A 61 5.055 11.435 3.577 1.00 1.00 O ATOM 862 CB VAL A 61 7.330 9.424 4.890 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.401 8.280 3.892 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.085 10.634 4.331 1.00 1.00 C ATOM 0 H VAL A 61 5.656 7.784 5.719 1.00 1.00 H new ATOM 0 HA VAL A 61 5.820 10.625 5.841 1.00 1.00 H new ATOM 0 HB VAL A 61 7.786 9.117 5.832 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.443 8.014 3.717 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.867 7.417 4.290 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.943 8.588 2.952 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.127 10.365 4.159 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.630 10.944 3.390 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.036 11.455 5.046 1.00 1.00 H new ATOM 874 N ALA A 62 4.861 9.275 2.984 1.00 1.00 N ATOM 875 CA ALA A 62 4.239 9.584 1.699 1.00 1.00 C ATOM 876 C ALA A 62 3.080 10.560 1.874 1.00 1.00 C ATOM 877 O ALA A 62 2.822 11.393 1.006 1.00 1.00 O ATOM 878 CB ALA A 62 3.731 8.299 1.043 1.00 1.00 C ATOM 0 H ALA A 62 4.989 8.280 3.166 1.00 1.00 H new ATOM 0 HA ALA A 62 4.991 10.049 1.061 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.268 8.538 0.085 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.566 7.617 0.883 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.996 7.825 1.693 1.00 1.00 H new ATOM 884 N LEU A 63 2.380 10.452 2.999 1.00 1.00 N ATOM 885 CA LEU A 63 1.249 11.333 3.268 1.00 1.00 C ATOM 886 C LEU A 63 1.710 12.781 3.394 1.00 1.00 C ATOM 887 O LEU A 63 0.919 13.710 3.231 1.00 1.00 O ATOM 888 CB LEU A 63 0.550 10.907 4.563 1.00 1.00 C ATOM 889 CG LEU A 63 -0.218 9.597 4.342 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.756 9.092 5.682 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.393 9.822 3.381 1.00 1.00 C ATOM 0 H LEU A 63 2.573 9.770 3.733 1.00 1.00 H new ATOM 0 HA LEU A 63 0.552 11.257 2.434 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.286 10.777 5.357 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.136 11.689 4.889 1.00 1.00 H new ATOM 0 HG LEU A 63 0.460 8.861 3.910 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.302 8.161 5.527 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.075 8.916 6.365 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.425 9.838 6.110 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -1.928 8.884 3.234 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.071 10.564 3.803 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.016 10.178 2.422 1.00 1.00 H new ATOM 903 N VAL A 64 2.993 12.965 3.694 1.00 1.00 N ATOM 904 CA VAL A 64 3.549 14.306 3.848 1.00 1.00 C ATOM 905 C VAL A 64 4.410 14.686 2.646 1.00 1.00 C ATOM 906 O VAL A 64 4.251 15.769 2.081 1.00 1.00 O ATOM 907 CB VAL A 64 4.388 14.379 5.125 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.170 15.732 5.800 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.961 13.261 6.079 1.00 1.00 C ATOM 0 H VAL A 64 3.663 12.209 3.834 1.00 1.00 H new ATOM 0 HA VAL A 64 2.720 15.011 3.914 1.00 1.00 H new ATOM 0 HB VAL A 64 5.442 14.262 4.875 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.767 15.785 6.710 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.471 16.530 5.121 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.116 15.848 6.051 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.558 13.312 6.989 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.907 13.379 6.329 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.114 12.295 5.598 1.00 1.00 H new ATOM 919 N ARG A 65 5.319 13.793 2.258 1.00 1.00 N ATOM 920 CA ARG A 65 6.197 14.054 1.118 1.00 1.00 C ATOM 921 C ARG A 65 6.229 12.863 0.170 1.00 1.00 C ATOM 922 O ARG A 65 7.136 12.033 0.228 1.00 1.00 O ATOM 923 CB ARG A 65 7.618 14.352 1.597 1.00 1.00 C ATOM 924 CG ARG A 65 7.655 15.721 2.279 1.00 1.00 C ATOM 925 CD ARG A 65 8.261 16.752 1.325 1.00 1.00 C ATOM 926 NE ARG A 65 8.212 18.081 1.921 1.00 1.00 N ATOM 927 CZ ARG A 65 7.059 18.726 2.071 1.00 1.00 C ATOM 928 NH1 ARG A 65 5.946 18.169 1.681 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.042 19.915 2.609 1.00 1.00 N ATOM 0 H ARG A 65 5.466 12.891 2.711 1.00 1.00 H new ATOM 0 HA ARG A 65 5.801 14.920 0.587 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.947 13.580 2.292 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.308 14.337 0.753 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.648 16.023 2.566 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.244 15.667 3.194 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.293 16.485 1.098 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.716 16.749 0.381 1.00 1.00 H new ATOM 0 HE ARG A 65 9.078 18.524 2.229 1.00 1.00 H new ATOM 0 HH11 ARG A 65 5.961 17.239 1.261 1.00 1.00 H new ATOM 0 HH12 ARG A 65 5.061 18.663 1.796 1.00 1.00 H new ATOM 0 HH21 ARG A 65 7.913 20.349 2.914 1.00 1.00 H new ATOM 0 HH22 ARG A 65 6.158 20.410 2.724 1.00 1.00 H new ATOM 943 N ARG A 66 5.238 12.793 -0.707 1.00 1.00 N ATOM 944 CA ARG A 66 5.159 11.709 -1.676 1.00 1.00 C ATOM 945 C ARG A 66 6.388 11.701 -2.580 1.00 1.00 C ATOM 946 O ARG A 66 6.820 10.647 -3.048 1.00 1.00 O ATOM 947 CB ARG A 66 3.897 11.868 -2.526 1.00 1.00 C ATOM 948 CG ARG A 66 3.845 10.762 -3.583 1.00 1.00 C ATOM 949 CD ARG A 66 2.405 10.598 -4.073 1.00 1.00 C ATOM 950 NE ARG A 66 2.389 10.096 -5.441 1.00 1.00 N ATOM 951 CZ ARG A 66 1.365 10.336 -6.252 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.349 11.039 -5.828 1.00 1.00 N ATOM 953 NH2 ARG A 66 1.371 9.870 -7.471 1.00 1.00 N ATOM 0 H ARG A 66 4.479 13.472 -0.768 1.00 1.00 H new ATOM 0 HA ARG A 66 5.120 10.764 -1.135 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.011 11.821 -1.892 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.892 12.846 -3.008 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.499 11.011 -4.418 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.207 9.824 -3.162 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.868 9.910 -3.420 1.00 1.00 H new ATOM 0 HD3 ARG A 66 1.886 11.555 -4.024 1.00 1.00 H new ATOM 0 HE ARG A 66 3.180 9.550 -5.782 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.343 11.403 -4.875 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.438 11.224 -6.450 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.163 9.320 -7.803 1.00 1.00 H new ATOM 0 HH22 ARG A 66 0.583 10.056 -8.092 1.00 1.00 H new ATOM 967 N ASP A 67 6.942 12.884 -2.832 1.00 1.00 N ATOM 968 CA ASP A 67 8.113 13.004 -3.695 1.00 1.00 C ATOM 969 C ASP A 67 9.278 12.174 -3.164 1.00 1.00 C ATOM 970 O ASP A 67 9.927 11.448 -3.917 1.00 1.00 O ATOM 971 CB ASP A 67 8.537 14.471 -3.798 1.00 1.00 C ATOM 972 CG ASP A 67 8.264 14.994 -5.203 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.155 14.810 -5.679 1.00 1.00 O ATOM 974 OD2 ASP A 67 9.168 15.571 -5.786 1.00 1.00 O ATOM 0 H ASP A 67 6.601 13.768 -2.454 1.00 1.00 H new ATOM 0 HA ASP A 67 7.843 12.628 -4.682 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.992 15.068 -3.066 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.597 14.569 -3.564 1.00 1.00 H new ATOM 979 N ARG A 68 9.538 12.285 -1.867 1.00 1.00 N ATOM 980 CA ARG A 68 10.627 11.540 -1.251 1.00 1.00 C ATOM 981 C ARG A 68 10.279 10.058 -1.170 1.00 1.00 C ATOM 982 O ARG A 68 11.138 9.193 -1.351 1.00 1.00 O ATOM 983 CB ARG A 68 10.890 12.081 0.153 1.00 1.00 C ATOM 984 CG ARG A 68 11.534 13.466 0.056 1.00 1.00 C ATOM 985 CD ARG A 68 11.601 14.091 1.451 1.00 1.00 C ATOM 986 NE ARG A 68 12.094 15.461 1.370 1.00 1.00 N ATOM 987 CZ ARG A 68 12.222 16.207 2.462 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.903 15.717 3.629 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.667 17.431 2.367 1.00 1.00 N ATOM 0 H ARG A 68 9.013 12.880 -1.226 1.00 1.00 H new ATOM 0 HA ARG A 68 11.522 11.658 -1.862 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.956 12.141 0.712 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.545 11.402 0.699 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.535 13.385 -0.367 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.955 14.103 -0.613 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.612 14.080 1.909 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.256 13.499 2.091 1.00 1.00 H new ATOM 0 HE ARG A 68 12.344 15.852 0.462 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.555 14.761 3.703 1.00 1.00 H new ATOM 0 HH12 ARG A 68 12.001 16.290 4.467 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.916 17.814 1.455 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.766 18.004 3.205 1.00 1.00 H new ATOM 1003 N ALA A 69 9.011 9.777 -0.905 1.00 1.00 N ATOM 1004 CA ALA A 69 8.533 8.401 -0.807 1.00 1.00 C ATOM 1005 C ALA A 69 8.607 7.699 -2.158 1.00 1.00 C ATOM 1006 O ALA A 69 8.839 6.489 -2.237 1.00 1.00 O ATOM 1007 CB ALA A 69 7.080 8.397 -0.337 1.00 1.00 C ATOM 0 H ALA A 69 8.292 10.484 -0.753 1.00 1.00 H new ATOM 0 HA ALA A 69 9.167 7.873 -0.095 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.724 7.369 -0.264 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.012 8.875 0.640 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.465 8.944 -1.051 1.00 1.00 H new ATOM 1013 N GLN A 70 8.383 8.465 -3.216 1.00 1.00 N ATOM 1014 CA GLN A 70 8.391 7.917 -4.565 1.00 1.00 C ATOM 1015 C GLN A 70 9.808 7.582 -5.008 1.00 1.00 C ATOM 1016 O GLN A 70 10.038 6.585 -5.692 1.00 1.00 O ATOM 1017 CB GLN A 70 7.779 8.935 -5.530 1.00 1.00 C ATOM 1018 CG GLN A 70 7.508 8.279 -6.887 1.00 1.00 C ATOM 1019 CD GLN A 70 8.283 8.998 -7.988 1.00 1.00 C ATOM 1020 OE1 GLN A 70 8.837 8.352 -8.877 1.00 1.00 O ATOM 1021 NE2 GLN A 70 8.361 10.301 -7.980 1.00 1.00 N ATOM 0 H GLN A 70 8.194 9.466 -3.167 1.00 1.00 H new ATOM 0 HA GLN A 70 7.803 6.999 -4.570 1.00 1.00 H new ATOM 0 HB2 GLN A 70 6.850 9.328 -5.116 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.455 9.781 -5.655 1.00 1.00 H new ATOM 0 HG2 GLN A 70 7.798 7.229 -6.855 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.441 8.308 -7.106 1.00 1.00 H new ATOM 0 HE21 GLN A 70 7.901 10.835 -7.242 1.00 1.00 H new ATOM 0 HE22 GLN A 70 8.882 10.785 -8.711 1.00 1.00 H new ATOM 1030 N ALA A 71 10.747 8.426 -4.616 1.00 1.00 N ATOM 1031 CA ALA A 71 12.140 8.221 -4.977 1.00 1.00 C ATOM 1032 C ALA A 71 12.692 6.967 -4.308 1.00 1.00 C ATOM 1033 O ALA A 71 13.545 6.280 -4.870 1.00 1.00 O ATOM 1034 CB ALA A 71 12.956 9.436 -4.550 1.00 1.00 C ATOM 0 H ALA A 71 10.572 9.256 -4.050 1.00 1.00 H new ATOM 0 HA ALA A 71 12.208 8.092 -6.057 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.001 9.285 -4.819 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.576 10.325 -5.054 1.00 1.00 H new ATOM 0 HB3 ALA A 71 12.875 9.568 -3.471 1.00 1.00 H new ATOM 1040 N VAL A 72 12.202 6.669 -3.107 1.00 1.00 N ATOM 1041 CA VAL A 72 12.666 5.487 -2.387 1.00 1.00 C ATOM 1042 C VAL A 72 12.239 4.227 -3.118 1.00 1.00 C ATOM 1043 O VAL A 72 13.043 3.327 -3.354 1.00 1.00 O ATOM 1044 CB VAL A 72 12.095 5.457 -0.970 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.787 4.352 -0.175 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.338 6.802 -0.281 1.00 1.00 C ATOM 0 H VAL A 72 11.496 7.219 -2.619 1.00 1.00 H new ATOM 0 HA VAL A 72 13.754 5.532 -2.334 1.00 1.00 H new ATOM 0 HB VAL A 72 11.023 5.267 -1.017 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.384 4.325 0.837 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.613 3.391 -0.660 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.858 4.549 -0.134 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.928 6.773 0.729 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.409 6.998 -0.232 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.850 7.595 -0.848 1.00 1.00 H new ATOM 1056 N GLU A 73 10.967 4.174 -3.475 1.00 1.00 N ATOM 1057 CA GLU A 73 10.438 3.021 -4.186 1.00 1.00 C ATOM 1058 C GLU A 73 11.220 2.793 -5.478 1.00 1.00 C ATOM 1059 O GLU A 73 11.418 1.654 -5.900 1.00 1.00 O ATOM 1060 CB GLU A 73 8.958 3.232 -4.507 1.00 1.00 C ATOM 1061 CG GLU A 73 8.174 3.415 -3.205 1.00 1.00 C ATOM 1062 CD GLU A 73 8.135 2.103 -2.426 1.00 1.00 C ATOM 1063 OE1 GLU A 73 9.099 1.819 -1.734 1.00 1.00 O ATOM 1064 OE2 GLU A 73 7.140 1.404 -2.530 1.00 1.00 O ATOM 0 H GLU A 73 10.286 4.909 -3.286 1.00 1.00 H new ATOM 0 HA GLU A 73 10.542 2.143 -3.549 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.834 4.108 -5.144 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.570 2.377 -5.061 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.638 4.193 -2.599 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.159 3.746 -3.426 1.00 1.00 H new ATOM 1071 N THR A 74 11.661 3.885 -6.099 1.00 1.00 N ATOM 1072 CA THR A 74 12.417 3.796 -7.345 1.00 1.00 C ATOM 1073 C THR A 74 13.801 3.202 -7.101 1.00 1.00 C ATOM 1074 O THR A 74 14.312 2.434 -7.916 1.00 1.00 O ATOM 1075 CB THR A 74 12.563 5.188 -7.964 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.316 5.867 -7.896 1.00 1.00 O ATOM 1077 CG2 THR A 74 12.997 5.057 -9.425 1.00 1.00 C ATOM 0 H THR A 74 11.509 4.836 -5.762 1.00 1.00 H new ATOM 0 HA THR A 74 11.873 3.144 -8.028 1.00 1.00 H new ATOM 0 HB THR A 74 13.316 5.753 -7.415 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.212 6.273 -7.010 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.100 6.049 -9.864 1.00 1.00 H new ATOM 0 HG22 THR A 74 13.953 4.536 -9.475 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.247 4.492 -9.978 1.00 1.00 H new ATOM 1085 N TYR A 75 14.403 3.571 -5.978 1.00 1.00 N ATOM 1086 CA TYR A 75 15.734 3.083 -5.631 1.00 1.00 C ATOM 1087 C TYR A 75 15.753 1.557 -5.539 1.00 1.00 C ATOM 1088 O TYR A 75 16.722 0.915 -5.945 1.00 1.00 O ATOM 1089 CB TYR A 75 16.162 3.686 -4.292 1.00 1.00 C ATOM 1090 CG TYR A 75 17.403 2.990 -3.794 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.297 1.779 -3.099 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.663 3.557 -4.024 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.450 1.135 -2.634 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.815 2.913 -3.558 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.709 1.702 -2.864 1.00 1.00 C ATOM 1096 OH TYR A 75 20.846 1.067 -2.405 1.00 1.00 O ATOM 0 H TYR A 75 13.993 4.205 -5.292 1.00 1.00 H new ATOM 0 HA TYR A 75 16.429 3.385 -6.414 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.353 4.753 -4.407 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.358 3.583 -3.563 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.326 1.342 -2.922 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.746 4.491 -4.561 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.368 0.201 -2.098 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.786 3.351 -3.734 1.00 1.00 H new ATOM 0 HH TYR A 75 21.636 1.593 -2.650 1.00 1.00 H new ATOM 1106 N LEU A 76 14.687 0.987 -4.990 1.00 1.00 N ATOM 1107 CA LEU A 76 14.595 -0.462 -4.832 1.00 1.00 C ATOM 1108 C LEU A 76 14.583 -1.177 -6.184 1.00 1.00 C ATOM 1109 O LEU A 76 15.275 -2.180 -6.362 1.00 1.00 O ATOM 1110 CB LEU A 76 13.327 -0.819 -4.048 1.00 1.00 C ATOM 1111 CG LEU A 76 13.312 -2.319 -3.715 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.473 -2.671 -2.777 1.00 1.00 C ATOM 1113 CD2 LEU A 76 11.990 -2.669 -3.030 1.00 1.00 C ATOM 0 H LEU A 76 13.876 1.502 -4.647 1.00 1.00 H new ATOM 0 HA LEU A 76 15.476 -0.795 -4.283 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.283 -0.235 -3.129 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.444 -0.560 -4.633 1.00 1.00 H new ATOM 0 HG LEU A 76 13.419 -2.887 -4.639 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.448 -3.737 -2.551 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.419 -2.425 -3.260 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.379 -2.102 -1.852 1.00 1.00 H new ATOM 0 HD21 LEU A 76 11.974 -3.732 -2.792 1.00 1.00 H new ATOM 0 HD22 LEU A 76 11.891 -2.090 -2.112 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.161 -2.435 -3.698 1.00 1.00 H new ATOM 1125 N LYS A 77 13.799 -0.673 -7.135 1.00 1.00 N ATOM 1126 CA LYS A 77 13.734 -1.310 -8.452 1.00 1.00 C ATOM 1127 C LYS A 77 15.119 -1.370 -9.079 1.00 1.00 C ATOM 1128 O LYS A 77 15.459 -2.332 -9.765 1.00 1.00 O ATOM 1129 CB LYS A 77 12.799 -0.541 -9.384 1.00 1.00 C ATOM 1130 CG LYS A 77 11.618 0.010 -8.592 1.00 1.00 C ATOM 1131 CD LYS A 77 10.521 0.465 -9.555 1.00 1.00 C ATOM 1132 CE LYS A 77 11.106 1.446 -10.575 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.719 0.686 -11.702 1.00 1.00 N ATOM 0 H LYS A 77 13.212 0.154 -7.025 1.00 1.00 H new ATOM 0 HA LYS A 77 13.349 -2.320 -8.314 1.00 1.00 H new ATOM 0 HB2 LYS A 77 13.339 0.275 -9.864 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.442 -1.197 -10.178 1.00 1.00 H new ATOM 0 HG2 LYS A 77 11.230 -0.755 -7.919 1.00 1.00 H new ATOM 0 HG3 LYS A 77 11.941 0.846 -7.972 1.00 1.00 H new ATOM 0 HD2 LYS A 77 10.093 -0.396 -10.068 1.00 1.00 H new ATOM 0 HD3 LYS A 77 9.711 0.940 -9.001 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.324 2.106 -10.950 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.855 2.078 -10.099 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 12.755 0.698 -11.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.381 -0.297 -11.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 11.450 1.127 -12.605 1.00 1.00 H new ATOM 1147 N LYS A 78 15.914 -0.337 -8.836 1.00 1.00 N ATOM 1148 CA LYS A 78 17.263 -0.287 -9.380 1.00 1.00 C ATOM 1149 C LYS A 78 18.101 -1.423 -8.801 1.00 1.00 C ATOM 1150 O LYS A 78 18.822 -2.110 -9.526 1.00 1.00 O ATOM 1151 CB LYS A 78 17.910 1.057 -9.048 1.00 1.00 C ATOM 1152 CG LYS A 78 19.153 1.257 -9.920 1.00 1.00 C ATOM 1153 CD LYS A 78 20.121 2.215 -9.222 1.00 1.00 C ATOM 1154 CE LYS A 78 21.110 1.412 -8.374 1.00 1.00 C ATOM 1155 NZ LYS A 78 22.012 2.349 -7.645 1.00 1.00 N ATOM 0 H LYS A 78 15.651 0.471 -8.271 1.00 1.00 H new ATOM 0 HA LYS A 78 17.212 -0.399 -10.463 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.200 1.866 -9.218 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.184 1.090 -7.993 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.641 0.299 -10.101 1.00 1.00 H new ATOM 0 HG3 LYS A 78 18.867 1.658 -10.892 1.00 1.00 H new ATOM 0 HD2 LYS A 78 20.658 2.809 -9.961 1.00 1.00 H new ATOM 0 HD3 LYS A 78 19.569 2.913 -8.593 1.00 1.00 H new ATOM 0 HE2 LYS A 78 20.571 0.783 -7.665 1.00 1.00 H new ATOM 0 HE3 LYS A 78 21.695 0.747 -9.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 22.685 1.805 -7.068 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 22.535 2.931 -8.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 21.446 2.966 -7.028 1.00 1.00 H new ATOM 1169 N LEU A 79 17.990 -1.621 -7.492 1.00 1.00 N ATOM 1170 CA LEU A 79 18.731 -2.682 -6.820 1.00 1.00 C ATOM 1171 C LEU A 79 18.204 -4.050 -7.242 1.00 1.00 C ATOM 1172 O LEU A 79 18.977 -4.959 -7.540 1.00 1.00 O ATOM 1173 CB LEU A 79 18.604 -2.530 -5.303 1.00 1.00 C ATOM 1174 CG LEU A 79 19.971 -2.192 -4.705 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.458 -0.857 -5.270 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.847 -2.085 -3.183 1.00 1.00 C ATOM 0 H LEU A 79 17.397 -1.063 -6.877 1.00 1.00 H new ATOM 0 HA LEU A 79 19.780 -2.604 -7.105 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.887 -1.744 -5.065 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.222 -3.453 -4.866 1.00 1.00 H new ATOM 0 HG LEU A 79 20.684 -2.976 -4.959 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.432 -0.615 -4.844 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.544 -0.930 -6.354 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.746 -0.072 -5.015 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.820 -1.844 -2.755 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.135 -1.299 -2.930 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.498 -3.035 -2.779 1.00 1.00 H new ATOM 1188 N ILE A 80 16.881 -4.188 -7.256 1.00 1.00 N ATOM 1189 CA ILE A 80 16.261 -5.453 -7.635 1.00 1.00 C ATOM 1190 C ILE A 80 16.475 -5.739 -9.118 1.00 1.00 C ATOM 1191 O ILE A 80 16.707 -6.881 -9.513 1.00 1.00 O ATOM 1192 CB ILE A 80 14.759 -5.413 -7.335 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.535 -5.689 -5.840 1.00 1.00 C ATOM 1194 CG2 ILE A 80 14.046 -6.479 -8.175 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.060 -5.466 -5.475 1.00 1.00 C ATOM 0 H ILE A 80 16.224 -3.447 -7.012 1.00 1.00 H new ATOM 0 HA ILE A 80 16.728 -6.248 -7.053 1.00 1.00 H new ATOM 0 HB ILE A 80 14.356 -4.431 -7.585 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.825 -6.713 -5.604 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.168 -5.033 -5.243 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.977 -6.453 -7.964 1.00 1.00 H new ATOM 0 HG22 ILE A 80 14.212 -6.279 -9.234 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.442 -7.464 -7.925 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.914 -5.665 -4.413 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.783 -4.434 -5.693 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.434 -6.140 -6.060 1.00 1.00 H new ATOM 1207 N ALA A 81 16.389 -4.696 -9.936 1.00 1.00 N ATOM 1208 CA ALA A 81 16.567 -4.847 -11.376 1.00 1.00 C ATOM 1209 C ALA A 81 18.017 -5.187 -11.709 1.00 1.00 C ATOM 1210 O ALA A 81 18.301 -5.780 -12.751 1.00 1.00 O ATOM 1211 CB ALA A 81 16.168 -3.555 -12.090 1.00 1.00 C ATOM 0 H ALA A 81 16.198 -3.742 -9.629 1.00 1.00 H new ATOM 0 HA ALA A 81 15.929 -5.663 -11.716 1.00 1.00 H new ATOM 0 HB1 ALA A 81 16.304 -3.676 -13.165 1.00 1.00 H new ATOM 0 HB2 ALA A 81 15.122 -3.331 -11.880 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.793 -2.735 -11.735 1.00 1.00 H new ATOM 1306 N LYS A 88 15.535 -7.792 1.778 1.00 1.00 N ATOM 1307 CA LYS A 88 14.252 -7.100 1.715 1.00 1.00 C ATOM 1308 C LYS A 88 14.341 -5.749 2.418 1.00 1.00 C ATOM 1309 O LYS A 88 14.718 -5.671 3.588 1.00 1.00 O ATOM 1310 CB LYS A 88 13.163 -7.948 2.381 1.00 1.00 C ATOM 1311 CG LYS A 88 13.046 -9.298 1.667 1.00 1.00 C ATOM 1312 CD LYS A 88 13.916 -10.337 2.380 1.00 1.00 C ATOM 1313 CE LYS A 88 14.302 -11.443 1.395 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.067 -12.100 0.879 1.00 1.00 N ATOM 0 HA LYS A 88 13.998 -6.941 0.667 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.402 -8.102 3.433 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.208 -7.423 2.345 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.006 -9.626 1.657 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.359 -9.199 0.628 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.812 -9.863 2.780 1.00 1.00 H new ATOM 0 HD3 LYS A 88 13.375 -10.761 3.226 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.877 -11.025 0.569 1.00 1.00 H new ATOM 0 HE3 LYS A 88 14.939 -12.178 1.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.321 -12.982 0.390 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.431 -12.316 1.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.586 -11.461 0.214 1.00 1.00 H new ATOM 1328 N ILE A 89 13.989 -4.688 1.700 1.00 1.00 N ATOM 1329 CA ILE A 89 14.033 -3.346 2.268 1.00 1.00 C ATOM 1330 C ILE A 89 13.482 -3.357 3.691 1.00 1.00 C ATOM 1331 O ILE A 89 12.435 -3.947 3.957 1.00 1.00 O ATOM 1332 CB ILE A 89 13.227 -2.372 1.380 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.204 -1.456 0.635 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.270 -1.510 2.225 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.440 -0.590 -0.371 1.00 1.00 C ATOM 0 H ILE A 89 13.672 -4.730 0.731 1.00 1.00 H new ATOM 0 HA ILE A 89 15.069 -3.009 2.304 1.00 1.00 H new ATOM 0 HB ILE A 89 12.633 -2.954 0.676 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.735 -0.822 1.345 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.955 -2.054 0.118 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.717 -0.835 1.573 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.571 -2.156 2.755 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.845 -0.928 2.946 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.140 0.059 -0.898 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.929 -1.231 -1.089 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.707 0.020 0.157 1.00 1.00 H new ATOM 1347 N THR A 90 14.188 -2.683 4.590 1.00 1.00 N ATOM 1348 CA THR A 90 13.763 -2.593 5.979 1.00 1.00 C ATOM 1349 C THR A 90 13.345 -1.162 6.294 1.00 1.00 C ATOM 1350 O THR A 90 13.573 -0.257 5.494 1.00 1.00 O ATOM 1351 CB THR A 90 14.903 -3.015 6.910 1.00 1.00 C ATOM 1352 OG1 THR A 90 16.051 -2.224 6.639 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.232 -4.491 6.681 1.00 1.00 C ATOM 0 H THR A 90 15.057 -2.191 4.381 1.00 1.00 H new ATOM 0 HA THR A 90 12.916 -3.261 6.134 1.00 1.00 H new ATOM 0 HB THR A 90 14.598 -2.870 7.946 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.781 -2.492 7.235 1.00 1.00 H new ATOM 0 HG21 THR A 90 16.044 -4.790 7.344 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.350 -5.097 6.890 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.537 -4.639 5.645 1.00 1.00 H new ATOM 1361 N GLU A 91 12.737 -0.964 7.455 1.00 1.00 N ATOM 1362 CA GLU A 91 12.288 0.365 7.861 1.00 1.00 C ATOM 1363 C GLU A 91 13.439 1.361 7.795 1.00 1.00 C ATOM 1364 O GLU A 91 13.234 2.555 7.565 1.00 1.00 O ATOM 1365 CB GLU A 91 11.738 0.312 9.288 1.00 1.00 C ATOM 1366 CG GLU A 91 11.090 1.653 9.638 1.00 1.00 C ATOM 1367 CD GLU A 91 10.392 1.553 10.989 1.00 1.00 C ATOM 1368 OE1 GLU A 91 9.673 0.590 11.191 1.00 1.00 O ATOM 1369 OE2 GLU A 91 10.591 2.440 11.804 1.00 1.00 O ATOM 0 H GLU A 91 12.543 -1.702 8.132 1.00 1.00 H new ATOM 0 HA GLU A 91 11.503 0.690 7.179 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.006 -0.491 9.377 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.542 0.091 9.990 1.00 1.00 H new ATOM 0 HG2 GLU A 91 11.847 2.436 9.667 1.00 1.00 H new ATOM 0 HG3 GLU A 91 10.372 1.932 8.867 1.00 1.00 H new ATOM 1376 N ALA A 92 14.645 0.861 8.005 1.00 1.00 N ATOM 1377 CA ALA A 92 15.832 1.708 7.980 1.00 1.00 C ATOM 1378 C ALA A 92 16.292 1.952 6.548 1.00 1.00 C ATOM 1379 O ALA A 92 16.771 3.037 6.217 1.00 1.00 O ATOM 1380 CB ALA A 92 16.961 1.049 8.774 1.00 1.00 C ATOM 0 H ALA A 92 14.831 -0.124 8.194 1.00 1.00 H new ATOM 0 HA ALA A 92 15.578 2.666 8.434 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.844 1.688 8.750 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.644 0.906 9.807 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.201 0.082 8.331 1.00 1.00 H new ATOM 1386 N GLU A 93 16.150 0.939 5.703 1.00 1.00 N ATOM 1387 CA GLU A 93 16.559 1.062 4.311 1.00 1.00 C ATOM 1388 C GLU A 93 15.754 2.149 3.608 1.00 1.00 C ATOM 1389 O GLU A 93 16.290 2.891 2.785 1.00 1.00 O ATOM 1390 CB GLU A 93 16.371 -0.271 3.585 1.00 1.00 C ATOM 1391 CG GLU A 93 17.289 -1.324 4.210 1.00 1.00 C ATOM 1392 CD GLU A 93 18.583 -1.432 3.409 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.954 -0.454 2.781 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.185 -2.494 3.437 1.00 1.00 O ATOM 0 H GLU A 93 15.758 0.031 5.954 1.00 1.00 H new ATOM 0 HA GLU A 93 17.614 1.337 4.288 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.332 -0.592 3.654 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.600 -0.156 2.525 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.513 -1.056 5.243 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.785 -2.290 4.233 1.00 1.00 H new ATOM 1401 N ILE A 94 14.466 2.245 3.930 1.00 1.00 N ATOM 1402 CA ILE A 94 13.621 3.255 3.309 1.00 1.00 C ATOM 1403 C ILE A 94 13.935 4.635 3.880 1.00 1.00 C ATOM 1404 O ILE A 94 14.003 5.620 3.144 1.00 1.00 O ATOM 1405 CB ILE A 94 12.138 2.914 3.505 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.270 4.088 3.010 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.853 2.610 4.981 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.758 4.937 4.182 1.00 1.00 C ATOM 0 H ILE A 94 13.993 1.645 4.606 1.00 1.00 H new ATOM 0 HA ILE A 94 13.829 3.268 2.239 1.00 1.00 H new ATOM 0 HB ILE A 94 11.892 2.025 2.924 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.852 4.713 2.333 1.00 1.00 H new ATOM 0 HG13 ILE A 94 10.424 3.703 2.441 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.797 2.370 5.106 1.00 1.00 H new ATOM 0 HG22 ILE A 94 12.458 1.762 5.301 1.00 1.00 H new ATOM 0 HG23 ILE A 94 12.101 3.482 5.586 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.149 5.756 3.799 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.155 4.316 4.845 1.00 1.00 H new ATOM 0 HD13 ILE A 94 11.605 5.342 4.735 1.00 1.00 H new ATOM 1420 N VAL A 95 14.140 4.696 5.188 1.00 1.00 N ATOM 1421 CA VAL A 95 14.462 5.953 5.844 1.00 1.00 C ATOM 1422 C VAL A 95 15.841 6.425 5.406 1.00 1.00 C ATOM 1423 O VAL A 95 16.067 7.615 5.193 1.00 1.00 O ATOM 1424 CB VAL A 95 14.438 5.776 7.365 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.315 6.843 8.025 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.001 5.921 7.870 1.00 1.00 C ATOM 0 H VAL A 95 14.089 3.892 5.813 1.00 1.00 H new ATOM 0 HA VAL A 95 13.718 6.698 5.561 1.00 1.00 H new ATOM 0 HB VAL A 95 14.820 4.787 7.618 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.294 6.713 9.107 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.340 6.744 7.667 1.00 1.00 H new ATOM 0 HG13 VAL A 95 14.936 7.833 7.772 1.00 1.00 H new ATOM 0 HG21 VAL A 95 12.981 5.795 8.953 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.623 6.910 7.613 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.373 5.161 7.405 1.00 1.00 H new ATOM 1436 N SER A 96 16.762 5.476 5.293 1.00 1.00 N ATOM 1437 CA SER A 96 18.134 5.790 4.900 1.00 1.00 C ATOM 1438 C SER A 96 18.171 6.438 3.524 1.00 1.00 C ATOM 1439 O SER A 96 18.850 7.445 3.322 1.00 1.00 O ATOM 1440 CB SER A 96 18.977 4.516 4.890 1.00 1.00 C ATOM 1441 OG SER A 96 18.363 3.553 4.045 1.00 1.00 O ATOM 0 H SER A 96 16.587 4.486 5.467 1.00 1.00 H new ATOM 0 HA SER A 96 18.544 6.493 5.625 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.985 4.736 4.538 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.072 4.121 5.902 1.00 1.00 H new ATOM 0 HG SER A 96 17.408 3.756 3.958 1.00 1.00 H new ATOM 1447 N ILE A 97 17.434 5.866 2.580 1.00 1.00 N ATOM 1448 CA ILE A 97 17.398 6.418 1.236 1.00 1.00 C ATOM 1449 C ILE A 97 16.584 7.706 1.240 1.00 1.00 C ATOM 1450 O ILE A 97 16.962 8.694 0.611 1.00 1.00 O ATOM 1451 CB ILE A 97 16.788 5.411 0.255 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.573 4.095 0.311 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.864 5.975 -1.164 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.701 2.960 -0.227 1.00 1.00 C ATOM 0 H ILE A 97 16.862 5.033 2.718 1.00 1.00 H new ATOM 0 HA ILE A 97 18.417 6.633 0.914 1.00 1.00 H new ATOM 0 HB ILE A 97 15.748 5.229 0.527 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.486 4.178 -0.279 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.874 3.882 1.337 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.431 5.260 -1.863 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.310 6.912 -1.213 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.906 6.155 -1.429 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.258 2.024 -0.188 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.801 2.873 0.382 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.422 3.173 -1.259 1.00 1.00 H new ATOM 1466 N LEU A 98 15.470 7.690 1.967 1.00 1.00 N ATOM 1467 CA LEU A 98 14.618 8.868 2.061 1.00 1.00 C ATOM 1468 C LEU A 98 15.433 10.065 2.542 1.00 1.00 C ATOM 1469 O LEU A 98 15.283 11.178 2.037 1.00 1.00 O ATOM 1470 CB LEU A 98 13.476 8.601 3.041 1.00 1.00 C ATOM 1471 CG LEU A 98 12.541 9.810 3.087 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.121 9.377 2.715 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.538 10.401 4.500 1.00 1.00 C ATOM 0 H LEU A 98 15.140 6.882 2.494 1.00 1.00 H new ATOM 0 HA LEU A 98 14.207 9.088 1.076 1.00 1.00 H new ATOM 0 HB2 LEU A 98 12.923 7.713 2.736 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.876 8.401 4.035 1.00 1.00 H new ATOM 0 HG LEU A 98 12.889 10.561 2.378 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.457 10.241 2.749 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.120 8.958 1.709 1.00 1.00 H new ATOM 0 HD13 LEU A 98 10.773 8.624 3.422 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.871 11.263 4.533 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.193 9.648 5.209 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.548 10.713 4.766 1.00 1.00 H new ATOM 1485 N ASN A 99 16.296 9.821 3.522 1.00 1.00 N ATOM 1486 CA ASN A 99 17.139 10.876 4.074 1.00 1.00 C ATOM 1487 C ASN A 99 18.152 11.354 3.037 1.00 1.00 C ATOM 1488 O ASN A 99 18.521 12.527 3.010 1.00 1.00 O ATOM 1489 CB ASN A 99 17.874 10.357 5.315 1.00 1.00 C ATOM 1490 CG ASN A 99 17.410 11.123 6.549 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.065 12.073 6.974 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.302 10.772 7.143 1.00 1.00 N ATOM 0 H ASN A 99 16.430 8.905 3.950 1.00 1.00 H new ATOM 0 HA ASN A 99 16.504 11.717 4.353 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.682 9.292 5.444 1.00 1.00 H new ATOM 0 HB3 ASN A 99 18.950 10.474 5.187 1.00 1.00 H new ATOM 0 HD21 ASN A 99 15.977 11.286 7.962 1.00 1.00 H new ATOM 0 HD22 ASN A 99 15.761 9.984 6.788 1.00 1.00 H new ATOM 1499 N GLY A 100 18.592 10.433 2.188 1.00 1.00 N ATOM 1500 CA GLY A 100 19.560 10.766 1.148 1.00 1.00 C ATOM 1501 C GLY A 100 18.899 11.552 0.021 1.00 1.00 C ATOM 1502 O GLY A 100 19.520 12.421 -0.591 1.00 1.00 O ATOM 0 H GLY A 100 18.297 9.457 2.198 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.373 11.351 1.577 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.001 9.852 0.750 1.00 1.00 H new ATOM 1506 N ILE A 101 17.636 11.240 -0.245 1.00 1.00 N ATOM 1507 CA ILE A 101 16.894 11.920 -1.301 1.00 1.00 C ATOM 1508 C ILE A 101 16.483 13.319 -0.857 1.00 1.00 C ATOM 1509 O ILE A 101 16.449 14.249 -1.661 1.00 1.00 O ATOM 1510 CB ILE A 101 15.653 11.107 -1.671 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.082 9.852 -2.433 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.725 11.948 -2.557 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.139 8.700 -2.090 1.00 1.00 C ATOM 0 H ILE A 101 17.106 10.524 0.253 1.00 1.00 H new ATOM 0 HA ILE A 101 17.540 12.010 -2.174 1.00 1.00 H new ATOM 0 HB ILE A 101 15.122 10.824 -0.762 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.066 10.042 -3.506 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.107 9.587 -2.172 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.843 11.364 -2.817 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.420 12.844 -2.017 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.252 12.234 -3.467 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.445 7.806 -2.633 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.178 8.505 -1.018 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.121 8.966 -2.374 1.00 1.00 H new ATOM 1525 N ALA A 102 16.162 13.466 0.421 1.00 1.00 N ATOM 1526 CA ALA A 102 15.750 14.764 0.939 1.00 1.00 C ATOM 1527 C ALA A 102 16.861 15.789 0.737 1.00 1.00 C ATOM 1528 O ALA A 102 16.604 16.987 0.638 1.00 1.00 O ATOM 1529 CB ALA A 102 15.416 14.654 2.427 1.00 1.00 C ATOM 0 H ALA A 102 16.178 12.714 1.110 1.00 1.00 H new ATOM 0 HA ALA A 102 14.863 15.089 0.396 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.109 15.630 2.804 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.604 13.940 2.566 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.296 14.314 2.973 1.00 1.00 H new ATOM 1535 N LYS A 103 18.097 15.305 0.673 1.00 1.00 N ATOM 1536 CA LYS A 103 19.241 16.188 0.476 1.00 1.00 C ATOM 1537 C LYS A 103 19.363 16.605 -0.988 1.00 1.00 C ATOM 1538 O LYS A 103 19.569 17.781 -1.291 1.00 1.00 O ATOM 1539 CB LYS A 103 20.523 15.479 0.914 1.00 1.00 C ATOM 1540 CG LYS A 103 21.619 16.515 1.168 1.00 1.00 C ATOM 1541 CD LYS A 103 22.963 15.968 0.682 1.00 1.00 C ATOM 1542 CE LYS A 103 24.079 16.936 1.074 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.045 17.065 -0.055 1.00 1.00 N ATOM 0 H LYS A 103 18.331 14.316 0.754 1.00 1.00 H new ATOM 0 HA LYS A 103 19.090 17.083 1.080 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.339 14.899 1.819 1.00 1.00 H new ATOM 0 HB3 LYS A 103 20.843 14.776 0.145 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.383 17.444 0.648 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.673 16.749 2.231 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.148 14.987 1.119 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.944 15.837 -0.400 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.659 17.911 1.321 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.592 16.575 1.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.804 17.724 0.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 25.454 16.133 -0.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.551 17.428 -0.895 1.00 1.00 H new ATOM 1557 N GLN A 104 19.246 15.636 -1.892 1.00 1.00 N ATOM 1558 CA GLN A 104 19.355 15.918 -3.321 1.00 1.00 C ATOM 1559 C GLN A 104 18.044 16.460 -3.884 1.00 1.00 C ATOM 1560 O GLN A 104 18.031 17.067 -4.955 1.00 1.00 O ATOM 1561 CB GLN A 104 19.763 14.650 -4.079 1.00 1.00 C ATOM 1562 CG GLN A 104 18.536 13.770 -4.322 1.00 1.00 C ATOM 1563 CD GLN A 104 17.863 14.161 -5.633 1.00 1.00 C ATOM 1564 OE1 GLN A 104 16.694 14.545 -5.642 1.00 1.00 O ATOM 1565 NE2 GLN A 104 18.533 14.077 -6.750 1.00 1.00 N ATOM 0 H GLN A 104 19.077 14.656 -1.664 1.00 1.00 H new ATOM 0 HA GLN A 104 20.121 16.682 -3.453 1.00 1.00 H new ATOM 0 HB2 GLN A 104 20.224 14.917 -5.030 1.00 1.00 H new ATOM 0 HB3 GLN A 104 20.509 14.098 -3.507 1.00 1.00 H new ATOM 0 HG2 GLN A 104 18.831 12.721 -4.354 1.00 1.00 H new ATOM 0 HG3 GLN A 104 17.832 13.878 -3.497 1.00 1.00 H new ATOM 0 HE21 GLN A 104 19.502 13.759 -6.741 1.00 1.00 H new ATOM 0 HE22 GLN A 104 18.088 14.330 -7.632 1.00 1.00 H new