USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 36 LYS NZ :NH3+ 175:sc= 0.464! (180deg=0) USER MOD Set 1.2: A 44 GLN : amide:sc= 1.09 K(o=1.6,f=-19!) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -142:sc= 0.546! (180deg=0) USER MOD Set 2.2: A 54 ASN : amide:sc= 0.68 K(o=1.2,f=-17!) USER MOD Set 3.1: A 5 ASN : amide:sc= -4.06! C(o=-12!,f=-25!) USER MOD Set 3.2: A 40 ASN : amide:sc= -7.68! C(o=-12!,f=-14!) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0988 (180deg=-0.674) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc=-0.00809 (180deg=-0.284) USER MOD Single : A 16 SER OG : rot 95:sc= -0.0795! USER MOD Single : A 17 GLN : amide:sc= 0.693 K(o=0.69,f=-4.7!) USER MOD Single : A 18 SER OG : rot 67:sc= 1.28 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 29 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 37 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0.848 (180deg=0.806) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 68:sc= 0.864 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0175 (180deg=-0.268) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 22:sc= -1.81! USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -7.308 -3.785 5.969 1.00 0.00 N ATOM 71 CA ASN A 5 -6.192 -3.310 6.786 1.00 0.00 C ATOM 72 C ASN A 5 -4.893 -3.940 6.291 1.00 0.00 C ATOM 73 O ASN A 5 -4.919 -4.996 5.660 1.00 0.00 O ATOM 74 CB ASN A 5 -6.436 -3.672 8.266 1.00 0.00 C ATOM 75 CG ASN A 5 -5.219 -3.325 9.127 1.00 0.00 C ATOM 76 OD1 ASN A 5 -4.154 -3.923 8.971 1.00 0.00 O ATOM 77 ND2 ASN A 5 -5.313 -2.396 10.023 1.00 0.00 N ATOM 0 HA ASN A 5 -6.114 -2.226 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.311 -3.136 8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.654 -4.736 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.505 -2.160 10.599 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.195 -1.900 10.153 1.00 0.00 H new ATOM 84 N LEU A 6 -3.766 -3.326 6.612 1.00 0.00 N ATOM 85 CA LEU A 6 -2.463 -3.817 6.165 1.00 0.00 C ATOM 86 C LEU A 6 -2.208 -5.237 6.643 1.00 0.00 C ATOM 87 O LEU A 6 -1.692 -6.067 5.885 1.00 0.00 O ATOM 88 CB LEU A 6 -1.345 -2.905 6.672 1.00 0.00 C ATOM 89 CG LEU A 6 -1.410 -1.557 5.955 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.455 -0.571 6.628 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.992 -1.745 4.493 1.00 0.00 C ATOM 0 H LEU A 6 -3.723 -2.482 7.183 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.472 -3.814 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.442 -2.760 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.376 -3.373 6.499 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.427 -1.168 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.503 0.390 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.743 -0.440 7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.563 -0.958 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.036 -0.787 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.026 -2.132 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.668 -2.450 4.009 1.00 0.00 H new ATOM 103 N LYS A 7 -2.595 -5.542 7.874 1.00 0.00 N ATOM 104 CA LYS A 7 -2.401 -6.897 8.363 1.00 0.00 C ATOM 105 C LYS A 7 -3.129 -7.872 7.469 1.00 0.00 C ATOM 106 O LYS A 7 -2.619 -8.937 7.171 1.00 0.00 O ATOM 107 CB LYS A 7 -2.832 -7.071 9.829 1.00 0.00 C ATOM 108 CG LYS A 7 -4.323 -6.722 10.025 1.00 0.00 C ATOM 109 CD LYS A 7 -5.100 -8.007 10.366 1.00 0.00 C ATOM 110 CE LYS A 7 -6.512 -7.661 10.857 1.00 0.00 C ATOM 111 NZ LYS A 7 -6.430 -6.915 12.136 1.00 0.00 N ATOM 0 H LYS A 7 -3.030 -4.895 8.531 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.331 -7.104 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.654 -8.100 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.221 -6.433 10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.436 -5.991 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.725 -6.268 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.160 -8.648 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.568 -8.569 11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.031 -7.062 10.109 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.093 -8.573 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.312 -7.046 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.629 -7.272 12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.291 -5.903 11.939 1.00 0.00 H new ATOM 125 N LEU A 8 -4.303 -7.466 6.986 1.00 0.00 N ATOM 126 CA LEU A 8 -5.059 -8.286 6.048 1.00 0.00 C ATOM 127 C LEU A 8 -4.281 -8.416 4.742 1.00 0.00 C ATOM 128 O LEU A 8 -4.244 -9.486 4.126 1.00 0.00 O ATOM 129 CB LEU A 8 -6.446 -7.684 5.771 1.00 0.00 C ATOM 130 CG LEU A 8 -7.300 -7.695 7.054 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.642 -7.006 6.786 1.00 0.00 C ATOM 132 CD2 LEU A 8 -7.553 -9.138 7.512 1.00 0.00 C ATOM 0 H LEU A 8 -4.746 -6.580 7.228 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.202 -9.271 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.340 -6.663 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.947 -8.253 4.988 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.762 -7.161 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.244 -7.015 7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.467 -5.975 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.172 -7.536 5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.157 -9.131 8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.081 -9.681 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.601 -9.628 7.714 1.00 0.00 H new ATOM 144 N ILE A 9 -3.660 -7.312 4.326 1.00 0.00 N ATOM 145 CA ILE A 9 -2.877 -7.284 3.094 1.00 0.00 C ATOM 146 C ILE A 9 -1.689 -8.229 3.217 1.00 0.00 C ATOM 147 O ILE A 9 -1.300 -8.889 2.253 1.00 0.00 O ATOM 148 CB ILE A 9 -2.349 -5.873 2.789 1.00 0.00 C ATOM 149 CG1 ILE A 9 -3.490 -4.837 2.766 1.00 0.00 C ATOM 150 CG2 ILE A 9 -1.642 -5.882 1.430 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.521 -5.168 1.690 1.00 0.00 C ATOM 0 H ILE A 9 -3.685 -6.424 4.827 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.534 -7.595 2.282 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.652 -5.591 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.976 -4.807 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.078 -3.844 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.266 -4.883 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.810 -6.586 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.347 -6.184 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.312 -4.418 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.038 -5.172 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.950 -6.150 1.887 1.00 0.00 H new ATOM 163 N ARG A 10 -1.046 -8.199 4.366 1.00 0.00 N ATOM 164 CA ARG A 10 0.179 -8.953 4.568 1.00 0.00 C ATOM 165 C ARG A 10 -0.060 -10.414 4.230 1.00 0.00 C ATOM 166 O ARG A 10 0.773 -11.063 3.579 1.00 0.00 O ATOM 167 CB ARG A 10 0.565 -8.879 6.044 1.00 0.00 C ATOM 168 CG ARG A 10 1.892 -9.602 6.272 1.00 0.00 C ATOM 169 CD ARG A 10 2.160 -9.675 7.767 1.00 0.00 C ATOM 170 NE ARG A 10 1.127 -10.518 8.380 1.00 0.00 N ATOM 171 CZ ARG A 10 0.850 -10.500 9.678 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.542 -9.743 10.480 1.00 0.00 N ATOM 173 NH2 ARG A 10 -0.116 -11.249 10.141 1.00 0.00 N ATOM 0 H ARG A 10 -1.350 -7.660 5.177 1.00 0.00 H new ATOM 0 HA ARG A 10 0.963 -8.539 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.650 -7.838 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.215 -9.331 6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.853 -10.605 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.701 -9.073 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.150 -10.090 7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.145 -8.677 8.205 1.00 0.00 H new ATOM 0 HE ARG A 10 0.596 -11.149 7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.296 -9.164 10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.330 -9.729 11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.651 -11.842 9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.335 -11.241 11.137 1.00 0.00 H new ATOM 187 N GLU A 11 -1.175 -10.931 4.696 1.00 0.00 N ATOM 188 CA GLU A 11 -1.504 -12.321 4.492 1.00 0.00 C ATOM 189 C GLU A 11 -1.741 -12.590 3.019 1.00 0.00 C ATOM 190 O GLU A 11 -1.429 -13.670 2.521 1.00 0.00 O ATOM 191 CB GLU A 11 -2.719 -12.729 5.329 1.00 0.00 C ATOM 192 CG GLU A 11 -2.749 -11.941 6.654 1.00 0.00 C ATOM 193 CD GLU A 11 -1.503 -12.197 7.506 1.00 0.00 C ATOM 194 OE1 GLU A 11 -0.415 -11.948 7.047 1.00 0.00 O ATOM 195 OE2 GLU A 11 -1.661 -12.621 8.630 1.00 0.00 O ATOM 0 H GLU A 11 -1.872 -10.404 5.222 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.661 -12.927 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.634 -12.543 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.684 -13.799 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.828 -10.875 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.638 -12.219 7.220 1.00 0.00 H new ATOM 202 N LYS A 12 -2.211 -11.570 2.303 1.00 0.00 N ATOM 203 CA LYS A 12 -2.421 -11.691 0.866 1.00 0.00 C ATOM 204 C LYS A 12 -1.101 -12.055 0.223 1.00 0.00 C ATOM 205 O LYS A 12 -1.034 -12.915 -0.645 1.00 0.00 O ATOM 206 CB LYS A 12 -2.879 -10.347 0.281 1.00 0.00 C ATOM 207 CG LYS A 12 -3.234 -10.524 -1.202 1.00 0.00 C ATOM 208 CD LYS A 12 -3.419 -9.155 -1.867 1.00 0.00 C ATOM 209 CE LYS A 12 -4.684 -8.459 -1.352 1.00 0.00 C ATOM 210 NZ LYS A 12 -4.955 -7.266 -2.202 1.00 0.00 N ATOM 0 H LYS A 12 -2.451 -10.658 2.693 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.180 -12.449 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.744 -9.976 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.089 -9.604 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.445 -11.079 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.148 -11.110 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.549 -8.530 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.482 -9.278 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.531 -9.144 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.553 -8.160 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.307 -6.489 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.077 -6.970 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.670 -7.505 -2.918 1.00 0.00 H new ATOM 224 N LYS A 13 -0.054 -11.395 0.672 1.00 0.00 N ATOM 225 CA LYS A 13 1.284 -11.644 0.170 1.00 0.00 C ATOM 226 C LYS A 13 1.937 -12.819 0.885 1.00 0.00 C ATOM 227 O LYS A 13 3.090 -13.159 0.605 1.00 0.00 O ATOM 228 CB LYS A 13 2.160 -10.385 0.275 1.00 0.00 C ATOM 229 CG LYS A 13 1.710 -9.327 -0.746 1.00 0.00 C ATOM 230 CD LYS A 13 1.912 -9.868 -2.182 1.00 0.00 C ATOM 231 CE LYS A 13 3.125 -9.196 -2.841 1.00 0.00 C ATOM 232 NZ LYS A 13 4.287 -10.126 -2.781 1.00 0.00 N ATOM 0 H LYS A 13 -0.104 -10.674 1.392 1.00 0.00 H new ATOM 0 HA LYS A 13 1.193 -11.905 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.098 -9.975 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.204 -10.646 0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.661 -9.076 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.282 -8.409 -0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.057 -10.948 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.018 -9.682 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.899 -8.943 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.363 -8.263 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.114 -9.678 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.505 -10.346 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.055 -11.004 -3.287 1.00 0.00 H new ATOM 246 N LYS A 14 1.230 -13.397 1.849 1.00 0.00 N ATOM 247 CA LYS A 14 1.776 -14.495 2.644 1.00 0.00 C ATOM 248 C LYS A 14 3.161 -14.140 3.158 1.00 0.00 C ATOM 249 O LYS A 14 4.140 -14.852 2.892 1.00 0.00 O ATOM 250 CB LYS A 14 1.855 -15.799 1.829 1.00 0.00 C ATOM 251 CG LYS A 14 0.455 -16.358 1.543 1.00 0.00 C ATOM 252 CD LYS A 14 0.607 -17.663 0.744 1.00 0.00 C ATOM 253 CE LYS A 14 -0.760 -18.333 0.547 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.659 -17.427 -0.208 1.00 0.00 N ATOM 0 H LYS A 14 0.279 -13.126 2.100 1.00 0.00 H new ATOM 0 HA LYS A 14 1.101 -14.653 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.375 -15.613 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.440 -16.538 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.077 -16.544 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.134 -15.635 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.059 -17.453 -0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.279 -18.342 1.269 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.640 -19.273 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.200 -18.574 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.486 -17.960 -0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.974 -16.654 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.148 -17.031 -1.023 1.00 0.00 H new ATOM 268 N ILE A 15 3.255 -13.043 3.872 1.00 0.00 N ATOM 269 CA ILE A 15 4.538 -12.609 4.379 1.00 0.00 C ATOM 270 C ILE A 15 4.751 -13.202 5.751 1.00 0.00 C ATOM 271 O ILE A 15 3.946 -12.979 6.659 1.00 0.00 O ATOM 272 CB ILE A 15 4.578 -11.081 4.472 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.303 -10.482 3.098 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.963 -10.611 4.950 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.191 -8.966 3.229 1.00 0.00 C ATOM 0 H ILE A 15 2.469 -12.440 4.114 1.00 0.00 H new ATOM 0 HA ILE A 15 5.325 -12.942 3.702 1.00 0.00 H new ATOM 0 HB ILE A 15 3.820 -10.754 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.105 -10.742 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.381 -10.893 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.977 -9.523 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.171 -11.033 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.724 -10.944 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.994 -8.530 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.374 -8.719 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.124 -8.565 3.624 1.00 0.00 H new ATOM 287 N SER A 16 5.834 -13.929 5.903 1.00 0.00 N ATOM 288 CA SER A 16 6.189 -14.519 7.173 1.00 0.00 C ATOM 289 C SER A 16 7.202 -13.622 7.872 1.00 0.00 C ATOM 290 O SER A 16 7.635 -12.603 7.311 1.00 0.00 O ATOM 291 CB SER A 16 6.769 -15.923 6.957 1.00 0.00 C ATOM 292 OG SER A 16 6.372 -16.410 5.669 1.00 0.00 O ATOM 0 H SER A 16 6.493 -14.128 5.150 1.00 0.00 H new ATOM 0 HA SER A 16 5.301 -14.611 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.856 -15.894 7.027 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.417 -16.598 7.737 1.00 0.00 H new ATOM 0 HG SER A 16 7.076 -16.218 5.015 1.00 0.00 H new ATOM 298 N GLN A 17 7.592 -13.994 9.072 1.00 0.00 N ATOM 299 CA GLN A 17 8.535 -13.196 9.839 1.00 0.00 C ATOM 300 C GLN A 17 9.798 -12.948 9.037 1.00 0.00 C ATOM 301 O GLN A 17 10.333 -11.849 9.028 1.00 0.00 O ATOM 302 CB GLN A 17 8.881 -13.917 11.125 1.00 0.00 C ATOM 303 CG GLN A 17 7.586 -14.325 11.820 1.00 0.00 C ATOM 304 CD GLN A 17 7.373 -15.803 11.625 1.00 0.00 C ATOM 305 OE1 GLN A 17 6.865 -16.225 10.581 1.00 0.00 O ATOM 306 NE2 GLN A 17 7.750 -16.618 12.541 1.00 0.00 N ATOM 0 H GLN A 17 7.274 -14.842 9.541 1.00 0.00 H new ATOM 0 HA GLN A 17 8.075 -12.235 10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.490 -14.796 10.913 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.471 -13.270 11.774 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.638 -14.089 12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.745 -13.766 11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.169 -16.261 13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.631 -17.623 12.410 1.00 0.00 H new ATOM 315 N SER A 18 10.256 -13.971 8.346 1.00 0.00 N ATOM 316 CA SER A 18 11.468 -13.874 7.558 1.00 0.00 C ATOM 317 C SER A 18 11.351 -12.791 6.487 1.00 0.00 C ATOM 318 O SER A 18 12.223 -11.918 6.371 1.00 0.00 O ATOM 319 CB SER A 18 11.726 -15.228 6.905 1.00 0.00 C ATOM 320 OG SER A 18 10.510 -15.992 6.934 1.00 0.00 O ATOM 0 H SER A 18 9.804 -14.885 8.314 1.00 0.00 H new ATOM 0 HA SER A 18 12.297 -13.600 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.064 -15.094 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.518 -15.758 7.434 1.00 0.00 H new ATOM 0 HG SER A 18 9.844 -15.569 6.353 1.00 0.00 H new ATOM 326 N GLU A 19 10.253 -12.812 5.745 1.00 0.00 N ATOM 327 CA GLU A 19 10.021 -11.809 4.720 1.00 0.00 C ATOM 328 C GLU A 19 9.740 -10.471 5.365 1.00 0.00 C ATOM 329 O GLU A 19 10.226 -9.431 4.908 1.00 0.00 O ATOM 330 CB GLU A 19 8.864 -12.215 3.814 1.00 0.00 C ATOM 331 CG GLU A 19 9.110 -13.629 3.281 1.00 0.00 C ATOM 332 CD GLU A 19 8.474 -14.629 4.212 1.00 0.00 C ATOM 333 OE1 GLU A 19 7.298 -14.860 4.068 1.00 0.00 O ATOM 334 OE2 GLU A 19 9.161 -15.142 5.064 1.00 0.00 O ATOM 0 H GLU A 19 9.514 -13.509 5.834 1.00 0.00 H new ATOM 0 HA GLU A 19 10.918 -11.727 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.925 -12.181 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.772 -11.513 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.692 -13.730 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.180 -13.819 3.201 1.00 0.00 H new ATOM 341 N LEU A 20 8.987 -10.501 6.456 1.00 0.00 N ATOM 342 CA LEU A 20 8.699 -9.290 7.201 1.00 0.00 C ATOM 343 C LEU A 20 10.011 -8.739 7.740 1.00 0.00 C ATOM 344 O LEU A 20 10.321 -7.560 7.581 1.00 0.00 O ATOM 345 CB LEU A 20 7.732 -9.588 8.355 1.00 0.00 C ATOM 346 CG LEU A 20 7.371 -8.286 9.096 1.00 0.00 C ATOM 347 CD1 LEU A 20 6.681 -7.304 8.132 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.428 -8.604 10.264 1.00 0.00 C ATOM 0 H LEU A 20 8.568 -11.348 6.841 1.00 0.00 H new ATOM 0 HA LEU A 20 8.225 -8.556 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.828 -10.058 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.188 -10.295 9.048 1.00 0.00 H new ATOM 0 HG LEU A 20 8.284 -7.829 9.477 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.430 -6.387 8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.354 -7.071 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.770 -7.757 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.173 -7.682 10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.518 -9.067 9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.921 -9.289 10.954 1.00 0.00 H new ATOM 360 N ALA A 21 10.832 -9.633 8.272 1.00 0.00 N ATOM 361 CA ALA A 21 12.153 -9.264 8.743 1.00 0.00 C ATOM 362 C ALA A 21 12.955 -8.699 7.592 1.00 0.00 C ATOM 363 O ALA A 21 13.632 -7.683 7.741 1.00 0.00 O ATOM 364 CB ALA A 21 12.876 -10.476 9.334 1.00 0.00 C ATOM 0 H ALA A 21 10.603 -10.620 8.387 1.00 0.00 H new ATOM 0 HA ALA A 21 12.050 -8.512 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.865 -10.176 9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.301 -10.869 10.172 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.978 -11.247 8.570 1.00 0.00 H new ATOM 370 N ALA A 22 12.788 -9.293 6.414 1.00 0.00 N ATOM 371 CA ALA A 22 13.433 -8.775 5.216 1.00 0.00 C ATOM 372 C ALA A 22 12.991 -7.338 4.987 1.00 0.00 C ATOM 373 O ALA A 22 13.809 -6.453 4.726 1.00 0.00 O ATOM 374 CB ALA A 22 13.079 -9.630 3.996 1.00 0.00 C ATOM 0 H ALA A 22 12.217 -10.125 6.266 1.00 0.00 H new ATOM 0 HA ALA A 22 14.514 -8.809 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.572 -9.225 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.413 -10.654 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.999 -9.620 3.846 1.00 0.00 H new ATOM 380 N LEU A 23 11.706 -7.093 5.189 1.00 0.00 N ATOM 381 CA LEU A 23 11.172 -5.742 5.120 1.00 0.00 C ATOM 382 C LEU A 23 11.780 -4.885 6.227 1.00 0.00 C ATOM 383 O LEU A 23 12.126 -3.723 6.010 1.00 0.00 O ATOM 384 CB LEU A 23 9.642 -5.746 5.211 1.00 0.00 C ATOM 385 CG LEU A 23 9.055 -6.382 3.937 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.549 -6.611 4.110 1.00 0.00 C ATOM 387 CD2 LEU A 23 9.293 -5.452 2.737 1.00 0.00 C ATOM 0 H LEU A 23 11.014 -7.811 5.402 1.00 0.00 H new ATOM 0 HA LEU A 23 11.442 -5.313 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.321 -6.304 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.271 -4.728 5.326 1.00 0.00 H new ATOM 0 HG LEU A 23 9.547 -7.339 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.143 -7.061 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.377 -7.278 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.055 -5.657 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.876 -5.905 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.808 -4.493 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.364 -5.298 2.603 1.00 0.00 H new ATOM 399 N LEU A 24 11.941 -5.479 7.403 1.00 0.00 N ATOM 400 CA LEU A 24 12.525 -4.784 8.554 1.00 0.00 C ATOM 401 C LEU A 24 14.044 -4.642 8.457 1.00 0.00 C ATOM 402 O LEU A 24 14.665 -4.078 9.348 1.00 0.00 O ATOM 403 CB LEU A 24 12.133 -5.461 9.882 1.00 0.00 C ATOM 404 CG LEU A 24 10.831 -4.856 10.434 1.00 0.00 C ATOM 405 CD1 LEU A 24 9.698 -5.028 9.432 1.00 0.00 C ATOM 406 CD2 LEU A 24 10.452 -5.559 11.738 1.00 0.00 C ATOM 0 H LEU A 24 11.675 -6.446 7.590 1.00 0.00 H new ATOM 0 HA LEU A 24 12.107 -3.778 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.005 -6.532 9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.935 -5.338 10.610 1.00 0.00 H new ATOM 0 HG LEU A 24 10.991 -3.793 10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.784 -4.595 9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.956 -4.524 8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.541 -6.089 9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.529 -5.129 12.128 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.306 -6.622 11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.251 -5.427 12.468 1.00 0.00 H new ATOM 418 N GLU A 25 14.634 -5.087 7.357 1.00 0.00 N ATOM 419 CA GLU A 25 16.078 -4.924 7.165 1.00 0.00 C ATOM 420 C GLU A 25 16.495 -3.455 7.132 1.00 0.00 C ATOM 421 O GLU A 25 17.685 -3.140 7.017 1.00 0.00 O ATOM 422 CB GLU A 25 16.591 -5.675 5.938 1.00 0.00 C ATOM 423 CG GLU A 25 16.505 -7.180 6.211 1.00 0.00 C ATOM 424 CD GLU A 25 17.006 -7.982 5.027 1.00 0.00 C ATOM 425 OE1 GLU A 25 17.463 -7.387 4.080 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.940 -9.183 5.090 1.00 0.00 O ATOM 0 H GLU A 25 14.150 -5.557 6.592 1.00 0.00 H new ATOM 0 HA GLU A 25 16.551 -5.375 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.998 -5.416 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.620 -5.388 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.093 -7.426 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.473 -7.454 6.429 1.00 0.00 H new ATOM 433 N VAL A 26 15.535 -2.572 7.305 1.00 0.00 N ATOM 434 CA VAL A 26 15.810 -1.151 7.361 1.00 0.00 C ATOM 435 C VAL A 26 15.781 -0.705 8.813 1.00 0.00 C ATOM 436 O VAL A 26 15.357 -1.464 9.693 1.00 0.00 O ATOM 437 CB VAL A 26 14.763 -0.372 6.540 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.906 -0.718 5.054 1.00 0.00 C ATOM 439 CG2 VAL A 26 13.348 -0.740 7.008 1.00 0.00 C ATOM 0 H VAL A 26 14.550 -2.815 7.410 1.00 0.00 H new ATOM 0 HA VAL A 26 16.793 -0.949 6.935 1.00 0.00 H new ATOM 0 HB VAL A 26 14.927 0.696 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.164 -0.165 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.905 -0.448 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.751 -1.788 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.615 -0.185 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.186 -1.809 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.236 -0.487 8.062 1.00 0.00 H new ATOM 449 N SER A 27 16.344 0.450 9.093 1.00 0.00 N ATOM 450 CA SER A 27 16.468 0.874 10.469 1.00 0.00 C ATOM 451 C SER A 27 15.141 0.673 11.201 1.00 0.00 C ATOM 452 O SER A 27 14.130 1.286 10.863 1.00 0.00 O ATOM 453 CB SER A 27 16.891 2.343 10.523 1.00 0.00 C ATOM 454 OG SER A 27 17.963 2.567 9.590 1.00 0.00 O ATOM 0 H SER A 27 16.716 1.101 8.401 1.00 0.00 H new ATOM 0 HA SER A 27 17.231 0.271 10.962 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.044 2.986 10.282 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.212 2.604 11.532 1.00 0.00 H new ATOM 0 HG SER A 27 18.234 3.508 9.623 1.00 0.00 H new ATOM 460 N ARG A 28 15.167 -0.165 12.219 1.00 0.00 N ATOM 461 CA ARG A 28 13.992 -0.431 13.029 1.00 0.00 C ATOM 462 C ARG A 28 13.629 0.790 13.856 1.00 0.00 C ATOM 463 O ARG A 28 12.530 0.879 14.388 1.00 0.00 O ATOM 464 CB ARG A 28 14.186 -1.669 13.912 1.00 0.00 C ATOM 465 CG ARG A 28 13.364 -2.858 13.355 1.00 0.00 C ATOM 466 CD ARG A 28 13.920 -3.370 12.010 1.00 0.00 C ATOM 467 NE ARG A 28 15.282 -2.905 11.735 1.00 0.00 N ATOM 468 CZ ARG A 28 16.348 -3.404 12.358 1.00 0.00 C ATOM 469 NH1 ARG A 28 16.196 -4.257 13.332 1.00 0.00 N ATOM 470 NH2 ARG A 28 17.540 -3.030 12.004 1.00 0.00 N ATOM 0 H ARG A 28 15.999 -0.679 12.508 1.00 0.00 H new ATOM 0 HA ARG A 28 13.160 -0.645 12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.242 -1.935 13.951 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.874 -1.449 14.933 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.367 -3.671 14.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.326 -2.551 13.224 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.908 -4.460 12.010 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.262 -3.044 11.204 1.00 0.00 H new ATOM 0 HE ARG A 28 15.419 -2.171 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.260 -4.543 13.618 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.013 -4.638 13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.659 -2.354 11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.357 -3.412 12.481 1.00 0.00 H new ATOM 484 N GLN A 29 14.589 1.706 13.991 1.00 0.00 N ATOM 485 CA GLN A 29 14.433 2.907 14.816 1.00 0.00 C ATOM 486 C GLN A 29 13.050 3.523 14.625 1.00 0.00 C ATOM 487 O GLN A 29 12.505 4.135 15.539 1.00 0.00 O ATOM 488 CB GLN A 29 15.500 3.943 14.439 1.00 0.00 C ATOM 489 CG GLN A 29 16.907 3.377 14.684 1.00 0.00 C ATOM 490 CD GLN A 29 17.126 3.114 16.170 1.00 0.00 C ATOM 491 OE1 GLN A 29 16.851 3.982 17.001 1.00 0.00 O ATOM 492 NE2 GLN A 29 17.607 1.973 16.557 1.00 0.00 N ATOM 0 H GLN A 29 15.497 1.637 13.532 1.00 0.00 H new ATOM 0 HA GLN A 29 14.550 2.617 15.860 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.391 4.222 13.391 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.359 4.850 15.027 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.036 2.452 14.122 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.656 4.079 14.319 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.834 1.255 15.869 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.758 1.793 17.550 1.00 0.00 H new ATOM 501 N THR A 30 12.456 3.287 13.476 1.00 0.00 N ATOM 502 CA THR A 30 11.108 3.748 13.215 1.00 0.00 C ATOM 503 C THR A 30 10.162 3.170 14.273 1.00 0.00 C ATOM 504 O THR A 30 9.274 3.868 14.783 1.00 0.00 O ATOM 505 CB THR A 30 10.675 3.317 11.812 1.00 0.00 C ATOM 506 OG1 THR A 30 11.737 3.589 10.902 1.00 0.00 O ATOM 507 CG2 THR A 30 9.434 4.105 11.384 1.00 0.00 C ATOM 0 H THR A 30 12.886 2.777 12.704 1.00 0.00 H new ATOM 0 HA THR A 30 11.074 4.836 13.266 1.00 0.00 H new ATOM 0 HB THR A 30 10.440 2.253 11.814 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.472 3.315 9.999 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.132 3.793 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.622 3.914 12.085 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.664 5.170 11.377 1.00 0.00 H new ATOM 515 N ILE A 31 10.397 1.916 14.634 1.00 0.00 N ATOM 516 CA ILE A 31 9.603 1.237 15.643 1.00 0.00 C ATOM 517 C ILE A 31 9.674 1.981 16.968 1.00 0.00 C ATOM 518 O ILE A 31 8.797 1.820 17.810 1.00 0.00 O ATOM 519 CB ILE A 31 10.069 -0.223 15.828 1.00 0.00 C ATOM 520 CG1 ILE A 31 8.866 -1.100 16.199 1.00 0.00 C ATOM 521 CG2 ILE A 31 11.108 -0.301 16.957 1.00 0.00 C ATOM 522 CD1 ILE A 31 9.346 -2.495 16.608 1.00 0.00 C ATOM 0 H ILE A 31 11.142 1.344 14.236 1.00 0.00 H new ATOM 0 HA ILE A 31 8.568 1.225 15.301 1.00 0.00 H new ATOM 0 HB ILE A 31 10.514 -0.574 14.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.310 -0.643 17.017 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.184 -1.174 15.352 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.432 -1.334 17.082 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.967 0.321 16.705 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.663 0.055 17.886 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.487 -3.113 16.870 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.883 -2.953 15.777 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.010 -2.413 17.468 1.00 0.00 H new ATOM 534 N ASN A 32 10.748 2.765 17.170 1.00 0.00 N ATOM 535 CA ASN A 32 10.922 3.506 18.429 1.00 0.00 C ATOM 536 C ASN A 32 9.603 4.149 18.798 1.00 0.00 C ATOM 537 O ASN A 32 9.179 4.125 19.965 1.00 0.00 O ATOM 538 CB ASN A 32 12.002 4.582 18.288 1.00 0.00 C ATOM 539 CG ASN A 32 12.158 5.329 19.605 1.00 0.00 C ATOM 540 OD1 ASN A 32 12.475 4.719 20.633 1.00 0.00 O ATOM 541 ND2 ASN A 32 11.953 6.602 19.646 1.00 0.00 N ATOM 0 H ASN A 32 11.496 2.900 16.490 1.00 0.00 H new ATOM 0 HA ASN A 32 11.238 2.814 19.210 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.950 4.124 18.004 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.733 5.278 17.494 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.052 7.106 20.527 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.692 7.104 18.797 1.00 0.00 H new ATOM 548 N GLY A 33 8.858 4.503 17.775 1.00 0.00 N ATOM 549 CA GLY A 33 7.478 4.866 17.954 1.00 0.00 C ATOM 550 C GLY A 33 6.695 3.596 18.230 1.00 0.00 C ATOM 551 O GLY A 33 6.065 3.025 17.329 1.00 0.00 O ATOM 0 H GLY A 33 9.189 4.546 16.811 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.372 5.567 18.782 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.096 5.364 17.063 1.00 0.00 H new ATOM 555 N ILE A 34 6.892 3.055 19.425 1.00 0.00 N ATOM 556 CA ILE A 34 6.384 1.743 19.764 1.00 0.00 C ATOM 557 C ILE A 34 4.882 1.746 19.626 1.00 0.00 C ATOM 558 O ILE A 34 4.314 0.821 19.081 1.00 0.00 O ATOM 559 CB ILE A 34 6.768 1.372 21.215 1.00 0.00 C ATOM 560 CG1 ILE A 34 8.285 1.225 21.334 1.00 0.00 C ATOM 561 CG2 ILE A 34 6.139 0.024 21.575 1.00 0.00 C ATOM 562 CD1 ILE A 34 8.760 0.062 20.461 1.00 0.00 C ATOM 0 H ILE A 34 7.405 3.513 20.178 1.00 0.00 H new ATOM 0 HA ILE A 34 6.821 1.007 19.089 1.00 0.00 H new ATOM 0 HB ILE A 34 6.413 2.158 21.882 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.775 2.148 21.025 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.563 1.049 22.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.407 -0.241 22.598 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.055 0.095 21.491 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.506 -0.743 20.893 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.842 -0.040 20.548 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.281 -0.860 20.791 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.496 0.256 19.421 1.00 0.00 H new ATOM 574 N GLU A 35 4.250 2.796 20.083 1.00 0.00 N ATOM 575 CA GLU A 35 2.816 2.914 19.980 1.00 0.00 C ATOM 576 C GLU A 35 2.372 2.752 18.528 1.00 0.00 C ATOM 577 O GLU A 35 1.450 1.986 18.240 1.00 0.00 O ATOM 578 CB GLU A 35 2.382 4.263 20.547 1.00 0.00 C ATOM 579 CG GLU A 35 2.467 4.207 22.085 1.00 0.00 C ATOM 580 CD GLU A 35 3.913 4.100 22.565 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.809 4.517 21.850 1.00 0.00 O ATOM 582 OE2 GLU A 35 4.104 3.585 23.646 1.00 0.00 O ATOM 0 H GLU A 35 4.709 3.588 20.534 1.00 0.00 H new ATOM 0 HA GLU A 35 2.339 2.122 20.558 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.022 5.057 20.163 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.364 4.494 20.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.008 5.100 22.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.898 3.352 22.451 1.00 0.00 H new ATOM 589 N LYS A 36 3.140 3.314 17.609 1.00 0.00 N ATOM 590 CA LYS A 36 2.877 3.101 16.187 1.00 0.00 C ATOM 591 C LYS A 36 3.156 1.645 15.795 1.00 0.00 C ATOM 592 O LYS A 36 2.639 1.155 14.782 1.00 0.00 O ATOM 593 CB LYS A 36 3.712 4.060 15.335 1.00 0.00 C ATOM 594 CG LYS A 36 3.198 5.492 15.539 1.00 0.00 C ATOM 595 CD LYS A 36 3.999 6.474 14.675 1.00 0.00 C ATOM 596 CE LYS A 36 5.388 6.709 15.286 1.00 0.00 C ATOM 597 NZ LYS A 36 6.072 7.793 14.542 1.00 0.00 N ATOM 0 H LYS A 36 3.940 3.913 17.813 1.00 0.00 H new ATOM 0 HA LYS A 36 1.823 3.307 16.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.763 3.994 15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.645 3.783 14.283 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.141 5.547 15.279 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.282 5.769 16.590 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.101 6.080 13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.464 7.420 14.596 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.295 6.977 16.338 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.977 5.793 15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.977 8.014 15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.248 7.485 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.471 8.642 14.535 1.00 0.00 H new ATOM 611 N ASN A 37 3.928 0.953 16.629 1.00 0.00 N ATOM 612 CA ASN A 37 4.201 -0.478 16.454 1.00 0.00 C ATOM 613 C ASN A 37 3.197 -1.316 17.243 1.00 0.00 C ATOM 614 O ASN A 37 2.824 -2.407 16.832 1.00 0.00 O ATOM 615 CB ASN A 37 5.630 -0.818 16.882 1.00 0.00 C ATOM 616 CG ASN A 37 5.867 -2.320 16.755 1.00 0.00 C ATOM 617 OD1 ASN A 37 5.546 -2.918 15.727 1.00 0.00 O ATOM 618 ND2 ASN A 37 6.416 -2.965 17.733 1.00 0.00 N ATOM 0 H ASN A 37 4.383 1.364 17.444 1.00 0.00 H new ATOM 0 HA ASN A 37 4.096 -0.714 15.395 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.343 -0.275 16.262 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.796 -0.501 17.912 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.583 -3.968 17.653 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.682 -2.470 18.584 1.00 0.00 H new ATOM 625 N LYS A 38 2.769 -0.785 18.382 1.00 0.00 N ATOM 626 CA LYS A 38 1.780 -1.433 19.243 1.00 0.00 C ATOM 627 C LYS A 38 0.481 -1.582 18.479 1.00 0.00 C ATOM 628 O LYS A 38 -0.124 -2.663 18.449 1.00 0.00 O ATOM 629 CB LYS A 38 1.554 -0.563 20.489 1.00 0.00 C ATOM 630 CG LYS A 38 2.777 -0.650 21.430 1.00 0.00 C ATOM 631 CD LYS A 38 2.796 0.576 22.367 1.00 0.00 C ATOM 632 CE LYS A 38 3.452 0.254 23.718 1.00 0.00 C ATOM 633 NZ LYS A 38 3.335 1.446 24.596 1.00 0.00 N ATOM 0 H LYS A 38 3.098 0.112 18.739 1.00 0.00 H new ATOM 0 HA LYS A 38 2.135 -2.417 19.548 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.387 0.473 20.193 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.658 -0.893 21.014 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.733 -1.568 22.016 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.696 -0.688 20.846 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.336 1.392 21.886 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.776 0.923 22.532 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.966 -0.605 24.180 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.500 -0.011 23.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.956 1.331 25.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.616 2.296 24.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.350 1.547 24.915 1.00 0.00 H new ATOM 647 N TYR A 39 0.149 -0.545 17.741 1.00 0.00 N ATOM 648 CA TYR A 39 -0.967 -0.587 16.817 1.00 0.00 C ATOM 649 C TYR A 39 -0.631 -1.582 15.717 1.00 0.00 C ATOM 650 O TYR A 39 0.520 -2.026 15.607 1.00 0.00 O ATOM 651 CB TYR A 39 -1.149 0.799 16.166 1.00 0.00 C ATOM 652 CG TYR A 39 -1.908 1.745 17.072 1.00 0.00 C ATOM 653 CD1 TYR A 39 -1.514 1.932 18.404 1.00 0.00 C ATOM 654 CD2 TYR A 39 -3.000 2.453 16.564 1.00 0.00 C ATOM 655 CE1 TYR A 39 -2.219 2.818 19.222 1.00 0.00 C ATOM 656 CE2 TYR A 39 -3.702 3.338 17.382 1.00 0.00 C ATOM 657 CZ TYR A 39 -3.315 3.520 18.709 1.00 0.00 C ATOM 658 OH TYR A 39 -4.014 4.396 19.513 1.00 0.00 O ATOM 0 H TYR A 39 0.642 0.348 17.763 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.876 -0.872 17.346 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.172 1.223 15.933 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.683 0.691 15.222 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.666 1.391 18.798 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.301 2.315 15.536 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.918 2.961 20.249 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.547 3.883 16.987 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.744 4.800 18.999 1.00 0.00 H new ATOM 668 N ASN A 40 -1.552 -1.765 14.791 1.00 0.00 N ATOM 669 CA ASN A 40 -1.224 -2.501 13.582 1.00 0.00 C ATOM 670 C ASN A 40 -0.125 -1.704 12.893 1.00 0.00 C ATOM 671 O ASN A 40 0.059 -0.530 13.233 1.00 0.00 O ATOM 672 CB ASN A 40 -2.460 -2.589 12.684 1.00 0.00 C ATOM 673 CG ASN A 40 -2.192 -3.513 11.521 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.041 -4.717 11.714 1.00 0.00 O ATOM 675 ND2 ASN A 40 -2.114 -3.029 10.317 1.00 0.00 N ATOM 0 H ASN A 40 -2.512 -1.424 14.847 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.898 -3.518 13.799 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.311 -2.953 13.259 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.724 -1.597 12.317 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.927 -3.649 9.529 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.240 -2.029 10.160 1.00 0.00 H new ATOM 682 N PRO A 41 0.669 -2.281 12.015 1.00 0.00 N ATOM 683 CA PRO A 41 1.818 -1.488 11.492 1.00 0.00 C ATOM 684 C PRO A 41 1.361 -0.130 10.979 1.00 0.00 C ATOM 685 O PRO A 41 0.375 -0.023 10.236 1.00 0.00 O ATOM 686 CB PRO A 41 2.368 -2.350 10.364 1.00 0.00 C ATOM 687 CG PRO A 41 2.098 -3.748 10.819 1.00 0.00 C ATOM 688 CD PRO A 41 0.774 -3.700 11.585 1.00 0.00 C ATOM 0 HA PRO A 41 2.564 -1.272 12.257 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.872 -2.135 9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.433 -2.178 10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.032 -4.428 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.904 -4.112 11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.065 -3.990 10.953 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.780 -4.378 12.438 1.00 0.00 H new ATOM 696 N SER A 42 2.028 0.904 11.457 1.00 0.00 N ATOM 697 CA SER A 42 1.673 2.269 11.135 1.00 0.00 C ATOM 698 C SER A 42 2.207 2.652 9.768 1.00 0.00 C ATOM 699 O SER A 42 2.972 1.899 9.161 1.00 0.00 O ATOM 700 CB SER A 42 2.205 3.214 12.210 1.00 0.00 C ATOM 701 OG SER A 42 1.570 2.909 13.456 1.00 0.00 O ATOM 0 H SER A 42 2.831 0.819 12.080 1.00 0.00 H new ATOM 0 HA SER A 42 0.587 2.352 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.286 3.108 12.303 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.009 4.249 11.931 1.00 0.00 H new ATOM 0 HG SER A 42 1.862 2.026 13.765 1.00 0.00 H new ATOM 707 N LEU A 43 1.813 3.815 9.285 1.00 0.00 N ATOM 708 CA LEU A 43 2.198 4.244 7.953 1.00 0.00 C ATOM 709 C LEU A 43 3.711 4.357 7.806 1.00 0.00 C ATOM 710 O LEU A 43 4.264 3.904 6.812 1.00 0.00 O ATOM 711 CB LEU A 43 1.525 5.580 7.594 1.00 0.00 C ATOM 712 CG LEU A 43 0.109 5.373 6.977 1.00 0.00 C ATOM 713 CD1 LEU A 43 -0.495 4.004 7.347 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.830 6.485 7.455 1.00 0.00 C ATOM 0 H LEU A 43 1.228 4.478 9.793 1.00 0.00 H new ATOM 0 HA LEU A 43 1.855 3.478 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.444 6.197 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.152 6.124 6.888 1.00 0.00 H new ATOM 0 HG LEU A 43 0.219 5.407 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.482 3.907 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.153 3.209 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.584 3.927 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.819 6.337 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.902 6.458 8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.437 7.452 7.142 1.00 0.00 H new ATOM 726 N GLN A 44 4.393 4.904 8.804 1.00 0.00 N ATOM 727 CA GLN A 44 5.849 5.038 8.689 1.00 0.00 C ATOM 728 C GLN A 44 6.491 3.674 8.479 1.00 0.00 C ATOM 729 O GLN A 44 7.262 3.474 7.539 1.00 0.00 O ATOM 730 CB GLN A 44 6.438 5.688 9.943 1.00 0.00 C ATOM 731 CG GLN A 44 6.003 7.150 10.029 1.00 0.00 C ATOM 732 CD GLN A 44 6.556 7.769 11.301 1.00 0.00 C ATOM 733 OE1 GLN A 44 6.646 7.100 12.336 1.00 0.00 O ATOM 734 NE2 GLN A 44 6.944 8.998 11.293 1.00 0.00 N ATOM 0 H GLN A 44 3.987 5.252 9.673 1.00 0.00 H new ATOM 0 HA GLN A 44 6.059 5.675 7.830 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.108 5.149 10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.526 5.625 9.918 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.362 7.699 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.915 7.218 10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.870 9.551 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.325 9.418 12.141 1.00 0.00 H new ATOM 743 N LEU A 45 6.095 2.713 9.293 1.00 0.00 N ATOM 744 CA LEU A 45 6.553 1.346 9.111 1.00 0.00 C ATOM 745 C LEU A 45 6.019 0.804 7.794 1.00 0.00 C ATOM 746 O LEU A 45 6.728 0.124 7.044 1.00 0.00 O ATOM 747 CB LEU A 45 6.095 0.459 10.282 1.00 0.00 C ATOM 748 CG LEU A 45 6.837 0.865 11.574 1.00 0.00 C ATOM 749 CD1 LEU A 45 6.235 0.123 12.770 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.322 0.494 11.455 1.00 0.00 C ATOM 0 H LEU A 45 5.462 2.851 10.081 1.00 0.00 H new ATOM 0 HA LEU A 45 7.643 1.337 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.019 0.558 10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.291 -0.589 10.054 1.00 0.00 H new ATOM 0 HG LEU A 45 6.735 1.941 11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.761 0.412 13.680 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.180 0.380 12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.335 -0.952 12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.843 0.782 12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.418 -0.582 11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.761 1.018 10.606 1.00 0.00 H new ATOM 762 N ALA A 46 4.758 1.111 7.525 1.00 0.00 N ATOM 763 CA ALA A 46 4.089 0.651 6.322 1.00 0.00 C ATOM 764 C ALA A 46 4.725 1.204 5.059 1.00 0.00 C ATOM 765 O ALA A 46 4.587 0.615 4.006 1.00 0.00 O ATOM 766 CB ALA A 46 2.603 1.002 6.346 1.00 0.00 C ATOM 0 H ALA A 46 4.174 1.684 8.134 1.00 0.00 H new ATOM 0 HA ALA A 46 4.200 -0.433 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.130 0.644 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.131 0.529 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.486 2.083 6.416 1.00 0.00 H new ATOM 772 N LEU A 47 5.339 2.378 5.138 1.00 0.00 N ATOM 773 CA LEU A 47 5.860 3.017 3.928 1.00 0.00 C ATOM 774 C LEU A 47 6.897 2.150 3.253 1.00 0.00 C ATOM 775 O LEU A 47 6.866 1.975 2.035 1.00 0.00 O ATOM 776 CB LEU A 47 6.458 4.400 4.232 1.00 0.00 C ATOM 777 CG LEU A 47 5.346 5.448 4.378 1.00 0.00 C ATOM 778 CD1 LEU A 47 5.942 6.747 4.924 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.728 5.730 3.000 1.00 0.00 C ATOM 0 H LEU A 47 5.488 2.899 6.002 1.00 0.00 H new ATOM 0 HA LEU A 47 5.016 3.147 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.045 4.355 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.138 4.692 3.432 1.00 0.00 H new ATOM 0 HG LEU A 47 4.582 5.073 5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.154 7.493 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.395 6.559 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.702 7.116 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.938 6.474 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.498 6.107 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.309 4.809 2.594 1.00 0.00 H new ATOM 791 N LYS A 48 7.787 1.567 4.032 1.00 0.00 N ATOM 792 CA LYS A 48 8.769 0.661 3.463 1.00 0.00 C ATOM 793 C LYS A 48 8.066 -0.574 2.921 1.00 0.00 C ATOM 794 O LYS A 48 8.304 -1.005 1.791 1.00 0.00 O ATOM 795 CB LYS A 48 9.787 0.253 4.528 1.00 0.00 C ATOM 796 CG LYS A 48 10.635 1.476 4.915 1.00 0.00 C ATOM 797 CD LYS A 48 10.211 1.986 6.299 1.00 0.00 C ATOM 798 CE LYS A 48 11.153 3.117 6.738 1.00 0.00 C ATOM 799 NZ LYS A 48 11.022 4.275 5.818 1.00 0.00 N ATOM 0 H LYS A 48 7.852 1.699 5.041 1.00 0.00 H new ATOM 0 HA LYS A 48 9.293 1.166 2.651 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.274 -0.141 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.428 -0.543 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.692 1.209 4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.512 2.265 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.183 2.347 6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.240 1.172 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.916 3.423 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.183 2.761 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.472 5.110 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.488 4.055 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.015 4.472 5.649 1.00 0.00 H new ATOM 813 N ILE A 49 7.174 -1.109 3.733 1.00 0.00 N ATOM 814 CA ILE A 49 6.403 -2.291 3.382 1.00 0.00 C ATOM 815 C ILE A 49 5.453 -2.033 2.203 1.00 0.00 C ATOM 816 O ILE A 49 5.248 -2.905 1.369 1.00 0.00 O ATOM 817 CB ILE A 49 5.626 -2.772 4.626 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.620 -3.284 5.678 1.00 0.00 C ATOM 819 CG2 ILE A 49 4.656 -3.899 4.259 1.00 0.00 C ATOM 820 CD1 ILE A 49 5.891 -3.540 7.000 1.00 0.00 C ATOM 0 H ILE A 49 6.962 -0.736 4.658 1.00 0.00 H new ATOM 0 HA ILE A 49 7.092 -3.070 3.056 1.00 0.00 H new ATOM 0 HB ILE A 49 5.054 -1.934 5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.092 -4.202 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.415 -2.553 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.119 -4.222 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.943 -3.538 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.214 -4.740 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.601 -3.903 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.440 -2.612 7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.112 -4.287 6.847 1.00 0.00 H new ATOM 832 N ALA A 50 4.776 -0.896 2.233 1.00 0.00 N ATOM 833 CA ALA A 50 3.686 -0.596 1.298 1.00 0.00 C ATOM 834 C ALA A 50 4.066 -0.850 -0.147 1.00 0.00 C ATOM 835 O ALA A 50 3.359 -1.558 -0.855 1.00 0.00 O ATOM 836 CB ALA A 50 3.229 0.855 1.466 1.00 0.00 C ATOM 0 H ALA A 50 4.961 -0.150 2.904 1.00 0.00 H new ATOM 0 HA ALA A 50 2.868 -1.274 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.420 1.065 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.876 1.010 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.065 1.525 1.266 1.00 0.00 H new ATOM 842 N TYR A 51 5.152 -0.245 -0.598 1.00 0.00 N ATOM 843 CA TYR A 51 5.561 -0.406 -1.989 1.00 0.00 C ATOM 844 C TYR A 51 5.895 -1.855 -2.266 1.00 0.00 C ATOM 845 O TYR A 51 5.453 -2.426 -3.261 1.00 0.00 O ATOM 846 CB TYR A 51 6.748 0.493 -2.320 1.00 0.00 C ATOM 847 CG TYR A 51 6.321 1.933 -2.185 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.594 2.550 -3.209 1.00 0.00 C ATOM 849 CD2 TYR A 51 6.646 2.646 -1.031 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.195 3.882 -3.074 1.00 0.00 C ATOM 851 CE2 TYR A 51 6.248 3.976 -0.894 1.00 0.00 C ATOM 852 CZ TYR A 51 5.523 4.595 -1.914 1.00 0.00 C ATOM 853 OH TYR A 51 5.135 5.910 -1.779 1.00 0.00 O ATOM 0 H TYR A 51 5.759 0.352 -0.036 1.00 0.00 H new ATOM 0 HA TYR A 51 4.730 -0.108 -2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.580 0.282 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.099 0.297 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.342 1.998 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.207 2.167 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.634 4.361 -3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.500 4.526 0.000 1.00 0.00 H new ATOM 0 HH TYR A 51 5.443 6.255 -0.915 1.00 0.00 H new ATOM 863 N TYR A 52 6.576 -2.475 -1.322 1.00 0.00 N ATOM 864 CA TYR A 52 6.849 -3.899 -1.390 1.00 0.00 C ATOM 865 C TYR A 52 5.540 -4.679 -1.387 1.00 0.00 C ATOM 866 O TYR A 52 5.365 -5.645 -2.139 1.00 0.00 O ATOM 867 CB TYR A 52 7.712 -4.323 -0.196 1.00 0.00 C ATOM 868 CG TYR A 52 7.871 -5.826 -0.186 1.00 0.00 C ATOM 869 CD1 TYR A 52 8.812 -6.442 -1.017 1.00 0.00 C ATOM 870 CD2 TYR A 52 7.065 -6.599 0.653 1.00 0.00 C ATOM 871 CE1 TYR A 52 8.946 -7.833 -1.002 1.00 0.00 C ATOM 872 CE2 TYR A 52 7.200 -7.983 0.668 1.00 0.00 C ATOM 873 CZ TYR A 52 8.139 -8.602 -0.159 1.00 0.00 C ATOM 874 OH TYR A 52 8.266 -9.963 -0.142 1.00 0.00 O ATOM 0 H TYR A 52 6.952 -2.013 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 52 7.389 -4.114 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.690 -3.845 -0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.250 -3.991 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.433 -5.845 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.336 -6.121 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.672 -8.313 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.578 -8.579 1.320 1.00 0.00 H new ATOM 0 HH TYR A 52 7.631 -10.343 0.500 1.00 0.00 H new ATOM 884 N LEU A 53 4.662 -4.298 -0.483 1.00 0.00 N ATOM 885 CA LEU A 53 3.400 -4.981 -0.268 1.00 0.00 C ATOM 886 C LEU A 53 2.479 -4.840 -1.480 1.00 0.00 C ATOM 887 O LEU A 53 2.749 -4.068 -2.398 1.00 0.00 O ATOM 888 CB LEU A 53 2.717 -4.435 1.002 1.00 0.00 C ATOM 889 CG LEU A 53 1.721 -5.456 1.574 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.462 -6.716 2.037 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.012 -4.847 2.782 1.00 0.00 C ATOM 0 H LEU A 53 4.805 -3.496 0.131 1.00 0.00 H new ATOM 0 HA LEU A 53 3.603 -6.043 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.472 -4.198 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.197 -3.506 0.769 1.00 0.00 H new ATOM 0 HG LEU A 53 1.002 -5.716 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.746 -7.432 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.984 -7.163 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.184 -6.450 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.304 -5.569 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.748 -4.589 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.477 -3.948 2.475 1.00 0.00 H new ATOM 903 N ASN A 54 1.435 -5.649 -1.508 1.00 0.00 N ATOM 904 CA ASN A 54 0.488 -5.661 -2.622 1.00 0.00 C ATOM 905 C ASN A 54 -0.192 -4.312 -2.770 1.00 0.00 C ATOM 906 O ASN A 54 -0.457 -3.857 -3.887 1.00 0.00 O ATOM 907 CB ASN A 54 -0.574 -6.750 -2.405 1.00 0.00 C ATOM 908 CG ASN A 54 -1.684 -6.655 -3.456 1.00 0.00 C ATOM 909 OD1 ASN A 54 -2.861 -6.495 -3.104 1.00 0.00 O ATOM 910 ND2 ASN A 54 -1.389 -6.747 -4.712 1.00 0.00 N ATOM 0 H ASN A 54 1.216 -6.314 -0.767 1.00 0.00 H new ATOM 0 HA ASN A 54 1.045 -5.874 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.106 -7.733 -2.454 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.003 -6.650 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.126 -6.688 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.419 -6.879 -5.000 1.00 0.00 H new ATOM 917 N THR A 55 -0.543 -3.715 -1.651 1.00 0.00 N ATOM 918 CA THR A 55 -1.275 -2.469 -1.654 1.00 0.00 C ATOM 919 C THR A 55 -0.431 -1.331 -1.088 1.00 0.00 C ATOM 920 O THR A 55 -0.116 -1.327 0.112 1.00 0.00 O ATOM 921 CB THR A 55 -2.531 -2.634 -0.802 1.00 0.00 C ATOM 922 OG1 THR A 55 -2.144 -2.916 0.535 1.00 0.00 O ATOM 923 CG2 THR A 55 -3.371 -3.797 -1.338 1.00 0.00 C ATOM 0 H THR A 55 -0.331 -4.077 -0.721 1.00 0.00 H new ATOM 0 HA THR A 55 -1.537 -2.221 -2.683 1.00 0.00 H new ATOM 0 HB THR A 55 -3.120 -1.718 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.226 -2.606 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.266 -3.911 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.659 -3.593 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.786 -4.716 -1.300 1.00 0.00 H new ATOM 931 N PRO A 56 -0.209 -0.299 -1.860 1.00 0.00 N ATOM 932 CA PRO A 56 0.422 0.919 -1.330 1.00 0.00 C ATOM 933 C PRO A 56 -0.530 1.585 -0.347 1.00 0.00 C ATOM 934 O PRO A 56 -1.727 1.287 -0.343 1.00 0.00 O ATOM 935 CB PRO A 56 0.660 1.807 -2.565 1.00 0.00 C ATOM 936 CG PRO A 56 0.311 0.971 -3.766 1.00 0.00 C ATOM 937 CD PRO A 56 0.123 -0.469 -3.279 1.00 0.00 C ATOM 0 HA PRO A 56 1.352 0.727 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.041 2.703 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.698 2.138 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.600 1.339 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.102 1.024 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.674 -0.977 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.028 -1.061 -3.413 1.00 0.00 H new ATOM 945 N LEU A 57 -0.024 2.464 0.487 1.00 0.00 N ATOM 946 CA LEU A 57 -0.875 3.091 1.480 1.00 0.00 C ATOM 947 C LEU A 57 -1.990 3.837 0.778 1.00 0.00 C ATOM 948 O LEU A 57 -3.161 3.720 1.149 1.00 0.00 O ATOM 949 CB LEU A 57 -0.073 4.031 2.374 1.00 0.00 C ATOM 950 CG LEU A 57 0.914 3.209 3.219 1.00 0.00 C ATOM 951 CD1 LEU A 57 1.803 4.141 4.038 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.145 2.278 4.163 1.00 0.00 C ATOM 0 H LEU A 57 0.952 2.759 0.502 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.304 2.320 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.467 4.757 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.743 4.595 3.023 1.00 0.00 H new ATOM 0 HG LEU A 57 1.536 2.613 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.499 3.550 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.362 4.793 3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.183 4.747 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.851 1.699 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.486 2.871 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.478 1.601 3.579 1.00 0.00 H new ATOM 964 N GLU A 58 -1.655 4.455 -0.333 1.00 0.00 N ATOM 965 CA GLU A 58 -2.664 5.086 -1.160 1.00 0.00 C ATOM 966 C GLU A 58 -3.687 4.032 -1.603 1.00 0.00 C ATOM 967 O GLU A 58 -4.899 4.274 -1.569 1.00 0.00 O ATOM 968 CB GLU A 58 -2.007 5.726 -2.392 1.00 0.00 C ATOM 969 CG GLU A 58 -1.139 6.920 -1.961 1.00 0.00 C ATOM 970 CD GLU A 58 -0.404 7.528 -3.150 1.00 0.00 C ATOM 971 OE1 GLU A 58 -0.584 7.060 -4.256 1.00 0.00 O ATOM 972 OE2 GLU A 58 0.331 8.465 -2.937 1.00 0.00 O ATOM 0 H GLU A 58 -0.701 4.535 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.168 5.864 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.395 4.989 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.773 6.057 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.766 7.678 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.417 6.596 -1.211 1.00 0.00 H new ATOM 979 N ASP A 59 -3.199 2.842 -1.950 1.00 0.00 N ATOM 980 CA ASP A 59 -4.080 1.736 -2.320 1.00 0.00 C ATOM 981 C ASP A 59 -4.917 1.266 -1.138 1.00 0.00 C ATOM 982 O ASP A 59 -6.083 0.894 -1.307 1.00 0.00 O ATOM 983 CB ASP A 59 -3.294 0.551 -2.902 1.00 0.00 C ATOM 984 CG ASP A 59 -4.250 -0.446 -3.536 1.00 0.00 C ATOM 985 OD1 ASP A 59 -4.863 -0.097 -4.523 1.00 0.00 O ATOM 986 OD2 ASP A 59 -4.369 -1.537 -3.025 1.00 0.00 O ATOM 0 H ASP A 59 -2.204 2.620 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.749 2.119 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.581 0.907 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.718 0.065 -2.115 1.00 0.00 H new ATOM 991 N ILE A 60 -4.311 1.197 0.049 1.00 0.00 N ATOM 992 CA ILE A 60 -5.041 0.702 1.219 1.00 0.00 C ATOM 993 C ILE A 60 -6.084 1.710 1.679 1.00 0.00 C ATOM 994 O ILE A 60 -7.160 1.332 2.160 1.00 0.00 O ATOM 995 CB ILE A 60 -4.119 0.311 2.406 1.00 0.00 C ATOM 996 CG1 ILE A 60 -3.810 1.516 3.297 1.00 0.00 C ATOM 997 CG2 ILE A 60 -2.797 -0.288 1.917 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.062 1.021 4.527 1.00 0.00 C ATOM 0 H ILE A 60 -3.344 1.469 0.225 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.537 -0.212 0.892 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.663 -0.436 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.208 2.245 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.732 2.018 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.177 -0.550 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.999 -1.183 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.273 0.442 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.831 1.865 5.177 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.683 0.306 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.135 0.537 4.219 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.712 2.989 1.643 1.00 0.00 N ATOM 1011 CA PHE A 61 -6.560 4.031 2.204 1.00 0.00 C ATOM 1012 C PHE A 61 -7.948 3.994 1.592 1.00 0.00 C ATOM 1013 O PHE A 61 -8.108 3.822 0.380 1.00 0.00 O ATOM 1014 CB PHE A 61 -5.951 5.429 2.012 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.693 5.596 2.848 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -4.642 5.122 4.168 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -3.577 6.240 2.299 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -3.481 5.293 4.927 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -2.419 6.409 3.060 1.00 0.00 C ATOM 1020 CZ PHE A 61 -2.372 5.937 4.372 1.00 0.00 C ATOM 0 H PHE A 61 -4.839 3.323 1.235 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.635 3.833 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.715 5.585 0.959 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.681 6.189 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.500 4.625 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.612 6.607 1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.441 4.927 5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.560 6.905 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.476 6.070 4.960 1.00 0.00 H new