USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 682 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 33 HIS : no HD1:sc= -1.7 K(o=-1.8,f=-16!) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.535 X(o=-1.8,f=-1.8) USER MOD Set 1.3: A 57 SER OG : rot 180:sc= 0.426 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -115:sc= -1.39 (180deg=-7.36!) USER MOD Single : A 11 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.1!) USER MOD Single : A 40 TYR OH : rot 100:sc= -0.486 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00412 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= -0.615 (180deg=-2.42!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc=-0.00715 K(o=-0.0071,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.78) USER MOD Single : A 109 SER OG : rot 65:sc= 1.25 USER MOD Single : A 113 LYS NZ :NH3+ -161:sc= -0.0937 (180deg=-0.588) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 7.424 9.362 2.393 1.00 1.00 N ATOM 33 CA LEU A 3 6.321 8.781 3.175 1.00 1.00 C ATOM 34 C LEU A 3 6.232 7.240 2.961 1.00 1.00 C ATOM 35 O LEU A 3 6.613 6.776 1.885 1.00 1.00 O ATOM 36 CB LEU A 3 4.977 9.474 2.785 1.00 1.00 C ATOM 37 CG LEU A 3 4.803 10.840 3.526 1.00 1.00 C ATOM 38 CD1 LEU A 3 5.987 11.792 3.213 1.00 1.00 C ATOM 39 CD2 LEU A 3 3.466 11.488 3.096 1.00 1.00 C ATOM 0 HA LEU A 3 6.515 8.954 4.234 1.00 1.00 H new ATOM 0 HB2 LEU A 3 4.949 9.637 1.708 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.143 8.817 3.030 1.00 1.00 H new ATOM 0 HG LEU A 3 4.792 10.661 4.601 1.00 1.00 H new ATOM 0 HD11 LEU A 3 5.844 12.736 3.739 1.00 1.00 H new ATOM 0 HD12 LEU A 3 6.920 11.332 3.539 1.00 1.00 H new ATOM 0 HD13 LEU A 3 6.030 11.978 2.140 1.00 1.00 H new ATOM 0 HD21 LEU A 3 3.341 12.441 3.611 1.00 1.00 H new ATOM 0 HD22 LEU A 3 3.473 11.656 2.019 1.00 1.00 H new ATOM 0 HD23 LEU A 3 2.640 10.825 3.355 1.00 1.00 H new ATOM 51 N PRO A 4 5.746 6.484 3.909 1.00 1.00 N ATOM 52 CA PRO A 4 5.627 4.985 3.746 1.00 1.00 C ATOM 53 C PRO A 4 4.799 4.596 2.513 1.00 1.00 C ATOM 54 O PRO A 4 4.983 3.529 1.926 1.00 1.00 O ATOM 55 CB PRO A 4 4.924 4.514 5.059 1.00 1.00 C ATOM 56 CG PRO A 4 5.259 5.586 6.053 1.00 1.00 C ATOM 57 CD PRO A 4 5.224 6.896 5.247 1.00 1.00 C ATOM 0 HA PRO A 4 6.600 4.519 3.591 1.00 1.00 H new ATOM 0 HB2 PRO A 4 3.847 4.418 4.923 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.292 3.540 5.382 1.00 1.00 H new ATOM 0 HG2 PRO A 4 4.539 5.606 6.871 1.00 1.00 H new ATOM 0 HG3 PRO A 4 6.241 5.421 6.497 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.214 7.301 5.179 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.846 7.667 5.703 1.00 1.00 H new ATOM 65 N ILE A 5 3.858 5.465 2.155 1.00 1.00 N ATOM 66 CA ILE A 5 2.958 5.221 0.995 1.00 1.00 C ATOM 67 C ILE A 5 3.263 6.217 -0.131 1.00 1.00 C ATOM 68 O ILE A 5 3.423 7.416 0.096 1.00 1.00 O ATOM 69 CB ILE A 5 1.469 5.355 1.437 1.00 1.00 C ATOM 70 CG1 ILE A 5 1.181 4.316 2.572 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.518 5.088 0.227 1.00 1.00 C ATOM 72 CD1 ILE A 5 -0.211 4.538 3.188 1.00 1.00 C ATOM 0 H ILE A 5 3.687 6.346 2.639 1.00 1.00 H new ATOM 0 HA ILE A 5 3.128 4.210 0.625 1.00 1.00 H new ATOM 0 HB ILE A 5 1.291 6.366 1.803 1.00 1.00 H new ATOM 0 HG12 ILE A 5 1.246 3.305 2.169 1.00 1.00 H new ATOM 0 HG13 ILE A 5 1.942 4.400 3.347 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.518 5.185 0.550 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.721 5.812 -0.562 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.687 4.080 -0.153 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.383 3.802 3.973 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.265 5.541 3.612 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -0.972 4.429 2.416 1.00 1.00 H new ATOM 84 N THR A 6 3.315 5.699 -1.355 1.00 1.00 N ATOM 85 CA THR A 6 3.580 6.530 -2.540 1.00 1.00 C ATOM 86 C THR A 6 2.856 5.964 -3.759 1.00 1.00 C ATOM 87 O THR A 6 2.813 4.752 -3.975 1.00 1.00 O ATOM 88 CB THR A 6 5.094 6.590 -2.819 1.00 1.00 C ATOM 89 OG1 THR A 6 5.316 7.215 -4.073 1.00 1.00 O ATOM 90 CG2 THR A 6 5.712 5.178 -2.839 1.00 1.00 C ATOM 0 H THR A 6 3.178 4.709 -1.559 1.00 1.00 H new ATOM 0 HA THR A 6 3.211 7.537 -2.344 1.00 1.00 H new ATOM 0 HB THR A 6 5.568 7.163 -2.022 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.279 7.256 -4.252 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.781 5.252 -3.038 1.00 1.00 H new ATOM 0 HG22 THR A 6 5.555 4.698 -1.873 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.238 4.584 -3.620 1.00 1.00 H new ATOM 98 N LEU A 7 2.288 6.863 -4.557 1.00 1.00 N ATOM 99 CA LEU A 7 1.553 6.478 -5.774 1.00 1.00 C ATOM 100 C LEU A 7 1.850 7.452 -6.917 1.00 1.00 C ATOM 101 O LEU A 7 2.352 8.556 -6.706 1.00 1.00 O ATOM 102 CB LEU A 7 0.027 6.436 -5.469 1.00 1.00 C ATOM 103 CG LEU A 7 -0.437 7.744 -4.692 1.00 1.00 C ATOM 104 CD1 LEU A 7 -1.804 8.254 -5.217 1.00 1.00 C ATOM 105 CD2 LEU A 7 -0.555 7.458 -3.169 1.00 1.00 C ATOM 0 H LEU A 7 2.319 7.868 -4.388 1.00 1.00 H new ATOM 0 HA LEU A 7 1.880 5.487 -6.088 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.531 6.345 -6.401 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.204 5.554 -4.872 1.00 1.00 H new ATOM 0 HG LEU A 7 0.317 8.512 -4.865 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.094 9.149 -4.666 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -1.721 8.491 -6.278 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.559 7.481 -5.077 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.873 8.363 -2.652 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -1.288 6.669 -3.003 1.00 1.00 H new ATOM 0 HD23 LEU A 7 0.414 7.141 -2.782 1.00 1.00 H new ATOM 117 N SER A 8 1.530 7.022 -8.133 1.00 1.00 N ATOM 118 CA SER A 8 1.748 7.839 -9.335 1.00 1.00 C ATOM 119 C SER A 8 0.572 8.804 -9.533 1.00 1.00 C ATOM 120 O SER A 8 -0.555 8.384 -9.792 1.00 1.00 O ATOM 121 CB SER A 8 1.870 6.927 -10.566 1.00 1.00 C ATOM 122 OG SER A 8 2.036 7.727 -11.729 1.00 1.00 O ATOM 0 H SER A 8 1.116 6.108 -8.319 1.00 1.00 H new ATOM 0 HA SER A 8 2.667 8.411 -9.212 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.718 6.253 -10.450 1.00 1.00 H new ATOM 0 HB3 SER A 8 0.980 6.306 -10.662 1.00 1.00 H new ATOM 0 HG SER A 8 2.116 7.148 -12.516 1.00 1.00 H new ATOM 128 N LYS A 9 0.855 10.097 -9.419 1.00 1.00 N ATOM 129 CA LYS A 9 -0.174 11.146 -9.569 1.00 1.00 C ATOM 130 C LYS A 9 0.419 12.403 -10.217 1.00 1.00 C ATOM 131 O LYS A 9 0.245 13.515 -9.722 1.00 1.00 O ATOM 132 CB LYS A 9 -0.796 11.464 -8.187 1.00 1.00 C ATOM 133 CG LYS A 9 0.308 11.816 -7.164 1.00 1.00 C ATOM 134 CD LYS A 9 -0.311 12.125 -5.771 1.00 1.00 C ATOM 135 CE LYS A 9 -1.246 13.376 -5.802 1.00 1.00 C ATOM 136 NZ LYS A 9 -2.624 12.954 -6.184 1.00 1.00 N ATOM 0 H LYS A 9 1.790 10.455 -9.222 1.00 1.00 H new ATOM 0 HA LYS A 9 -0.961 10.782 -10.229 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.494 12.296 -8.279 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -1.368 10.606 -7.833 1.00 1.00 H new ATOM 0 HG2 LYS A 9 1.010 10.987 -7.079 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.874 12.679 -7.515 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -0.877 11.259 -5.427 1.00 1.00 H new ATOM 0 HD3 LYS A 9 0.489 12.290 -5.049 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.259 13.858 -4.825 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.868 14.109 -6.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.875 13.376 -7.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -2.662 11.917 -6.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -3.298 13.274 -5.460 1.00 1.00 H new ATOM 150 N GLU A 10 1.114 12.208 -11.334 1.00 1.00 N ATOM 151 CA GLU A 10 1.737 13.331 -12.051 1.00 1.00 C ATOM 152 C GLU A 10 0.685 14.389 -12.424 1.00 1.00 C ATOM 153 O GLU A 10 0.904 15.589 -12.263 1.00 1.00 O ATOM 154 CB GLU A 10 2.416 12.796 -13.333 1.00 1.00 C ATOM 155 CG GLU A 10 3.520 11.766 -12.981 1.00 1.00 C ATOM 156 CD GLU A 10 4.657 12.426 -12.195 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.167 13.429 -12.666 1.00 1.00 O ATOM 158 OE2 GLU A 10 4.996 11.925 -11.133 1.00 1.00 O ATOM 0 H GLU A 10 1.263 11.295 -11.764 1.00 1.00 H new ATOM 0 HA GLU A 10 2.478 13.799 -11.403 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.671 12.331 -13.978 1.00 1.00 H new ATOM 0 HB3 GLU A 10 2.850 13.624 -13.893 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.091 10.954 -12.394 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.915 11.324 -13.896 1.00 1.00 H new ATOM 165 N THR A 11 -0.459 13.922 -12.914 1.00 1.00 N ATOM 166 CA THR A 11 -1.575 14.814 -13.318 1.00 1.00 C ATOM 167 C THR A 11 -2.865 14.440 -12.549 1.00 1.00 C ATOM 168 O THR A 11 -3.683 13.692 -13.086 1.00 1.00 O ATOM 169 CB THR A 11 -1.808 14.677 -14.832 1.00 1.00 C ATOM 170 OG1 THR A 11 -2.245 13.360 -15.116 1.00 1.00 O ATOM 171 CG2 THR A 11 -0.498 14.965 -15.596 1.00 1.00 C ATOM 0 H THR A 11 -0.652 12.929 -13.047 1.00 1.00 H new ATOM 0 HA THR A 11 -1.317 15.846 -13.079 1.00 1.00 H new ATOM 0 HB THR A 11 -2.566 15.394 -15.149 1.00 1.00 H new ATOM 0 HG1 THR A 11 -3.055 13.166 -14.600 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.672 14.866 -16.667 1.00 1.00 H new ATOM 0 HG22 THR A 11 -0.163 15.979 -15.375 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.268 14.254 -15.286 1.00 1.00 H new ATOM 179 N PRO A 12 -3.062 14.940 -11.360 1.00 1.00 N ATOM 180 CA PRO A 12 -4.306 14.618 -10.561 1.00 1.00 C ATOM 181 C PRO A 12 -5.592 14.803 -11.387 1.00 1.00 C ATOM 182 O PRO A 12 -5.853 15.886 -11.911 1.00 1.00 O ATOM 183 CB PRO A 12 -4.240 15.628 -9.378 1.00 1.00 C ATOM 184 CG PRO A 12 -2.764 15.834 -9.167 1.00 1.00 C ATOM 185 CD PRO A 12 -2.166 15.854 -10.594 1.00 1.00 C ATOM 0 HA PRO A 12 -4.337 13.577 -10.238 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -4.744 16.563 -9.621 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -4.721 15.230 -8.484 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -2.565 16.767 -8.640 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -2.333 15.032 -8.568 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -2.164 16.860 -11.014 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -1.134 15.504 -10.602 1.00 1.00 H new ATOM 193 N PHE A 13 -6.386 13.741 -11.482 1.00 1.00 N ATOM 194 CA PHE A 13 -7.645 13.796 -12.230 1.00 1.00 C ATOM 195 C PHE A 13 -8.497 12.549 -11.938 1.00 1.00 C ATOM 196 O PHE A 13 -8.049 11.420 -12.144 1.00 1.00 O ATOM 197 CB PHE A 13 -7.343 13.880 -13.747 1.00 1.00 C ATOM 198 CG PHE A 13 -8.652 14.117 -14.518 1.00 1.00 C ATOM 199 CD1 PHE A 13 -9.172 15.424 -14.621 1.00 1.00 C ATOM 200 CD2 PHE A 13 -9.353 13.046 -15.104 1.00 1.00 C ATOM 201 CE1 PHE A 13 -10.369 15.653 -15.304 1.00 1.00 C ATOM 202 CE2 PHE A 13 -10.553 13.281 -15.787 1.00 1.00 C ATOM 203 CZ PHE A 13 -11.061 14.584 -15.887 1.00 1.00 C ATOM 0 H PHE A 13 -6.185 12.837 -11.055 1.00 1.00 H new ATOM 0 HA PHE A 13 -8.202 14.680 -11.919 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.640 14.690 -13.944 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -6.870 12.958 -14.086 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.643 16.251 -14.170 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.965 12.041 -15.027 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -10.761 16.656 -15.383 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -11.088 12.458 -16.237 1.00 1.00 H new ATOM 0 HZ PHE A 13 -11.986 14.763 -16.414 1.00 1.00 H new ATOM 213 N GLU A 14 -9.724 12.766 -11.474 1.00 1.00 N ATOM 214 CA GLU A 14 -10.636 11.650 -11.172 1.00 1.00 C ATOM 215 C GLU A 14 -10.838 10.763 -12.416 1.00 1.00 C ATOM 216 O GLU A 14 -10.840 11.257 -13.543 1.00 1.00 O ATOM 217 CB GLU A 14 -11.995 12.202 -10.690 1.00 1.00 C ATOM 218 CG GLU A 14 -11.798 13.045 -9.410 1.00 1.00 C ATOM 219 CD GLU A 14 -13.138 13.598 -8.923 1.00 1.00 C ATOM 220 OE1 GLU A 14 -13.528 14.651 -9.398 1.00 1.00 O ATOM 221 OE2 GLU A 14 -13.750 12.961 -8.081 1.00 1.00 O ATOM 0 H GLU A 14 -10.114 13.692 -11.298 1.00 1.00 H new ATOM 0 HA GLU A 14 -10.194 11.042 -10.383 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -12.447 12.813 -11.472 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -12.682 11.379 -10.491 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -11.345 12.433 -8.630 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -11.110 13.866 -9.610 1.00 1.00 H new ATOM 228 N GLY A 15 -11.005 9.464 -12.194 1.00 1.00 N ATOM 229 CA GLY A 15 -11.203 8.503 -13.298 1.00 1.00 C ATOM 230 C GLY A 15 -9.862 8.004 -13.837 1.00 1.00 C ATOM 231 O GLY A 15 -9.772 6.888 -14.350 1.00 1.00 O ATOM 0 H GLY A 15 -11.009 9.043 -11.265 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -11.795 7.658 -12.947 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -11.768 8.977 -14.101 1.00 1.00 H new ATOM 235 N GLU A 16 -8.826 8.826 -13.707 1.00 1.00 N ATOM 236 CA GLU A 16 -7.484 8.457 -14.191 1.00 1.00 C ATOM 237 C GLU A 16 -6.919 7.326 -13.340 1.00 1.00 C ATOM 238 O GLU A 16 -7.104 7.297 -12.123 1.00 1.00 O ATOM 239 CB GLU A 16 -6.535 9.684 -14.140 1.00 1.00 C ATOM 240 CG GLU A 16 -5.185 9.367 -14.831 1.00 1.00 C ATOM 241 CD GLU A 16 -4.263 10.590 -14.789 1.00 1.00 C ATOM 242 OE1 GLU A 16 -3.676 10.827 -13.747 1.00 1.00 O ATOM 243 OE2 GLU A 16 -4.160 11.267 -15.800 1.00 1.00 O ATOM 0 H GLU A 16 -8.880 9.748 -13.275 1.00 1.00 H new ATOM 0 HA GLU A 16 -7.564 8.121 -15.225 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -7.008 10.535 -14.630 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.359 9.970 -13.103 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -4.704 8.524 -14.335 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -5.359 9.071 -15.865 1.00 1.00 H new ATOM 250 N GLU A 17 -6.230 6.393 -13.990 1.00 1.00 N ATOM 251 CA GLU A 17 -5.634 5.264 -13.285 1.00 1.00 C ATOM 252 C GLU A 17 -4.391 5.729 -12.521 1.00 1.00 C ATOM 253 O GLU A 17 -3.624 6.574 -12.986 1.00 1.00 O ATOM 254 CB GLU A 17 -5.265 4.141 -14.289 1.00 1.00 C ATOM 255 CG GLU A 17 -4.814 2.864 -13.539 1.00 1.00 C ATOM 256 CD GLU A 17 -4.461 1.755 -14.529 1.00 1.00 C ATOM 257 OE1 GLU A 17 -3.361 1.785 -15.053 1.00 1.00 O ATOM 258 OE2 GLU A 17 -5.295 0.891 -14.748 1.00 1.00 O ATOM 0 H GLU A 17 -6.071 6.396 -14.998 1.00 1.00 H new ATOM 0 HA GLU A 17 -6.356 4.865 -12.573 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -6.124 3.914 -14.920 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -4.467 4.483 -14.948 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.950 3.089 -12.914 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.609 2.526 -12.874 1.00 1.00 H new ATOM 265 N ILE A 18 -4.199 5.149 -11.342 1.00 1.00 N ATOM 266 CA ILE A 18 -3.039 5.481 -10.483 1.00 1.00 C ATOM 267 C ILE A 18 -2.377 4.199 -9.978 1.00 1.00 C ATOM 268 O ILE A 18 -3.035 3.182 -9.756 1.00 1.00 O ATOM 269 CB ILE A 18 -3.501 6.364 -9.283 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.704 5.692 -8.547 1.00 1.00 C ATOM 271 CG2 ILE A 18 -3.917 7.768 -9.804 1.00 1.00 C ATOM 272 CD1 ILE A 18 -5.005 6.427 -7.229 1.00 1.00 C ATOM 0 H ILE A 18 -4.824 4.446 -10.948 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.310 6.041 -11.069 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.676 6.467 -8.578 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.585 5.707 -9.188 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.476 4.646 -8.343 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -4.240 8.386 -8.966 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -3.067 8.240 -10.296 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -4.736 7.664 -10.515 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -5.846 5.947 -6.728 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.128 6.389 -6.583 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.255 7.467 -7.441 1.00 1.00 H new ATOM 284 N THR A 19 -1.065 4.271 -9.784 1.00 1.00 N ATOM 285 CA THR A 19 -0.301 3.114 -9.291 1.00 1.00 C ATOM 286 C THR A 19 -0.276 3.137 -7.761 1.00 1.00 C ATOM 287 O THR A 19 0.351 4.007 -7.156 1.00 1.00 O ATOM 288 CB THR A 19 1.143 3.159 -9.852 1.00 1.00 C ATOM 289 OG1 THR A 19 1.080 3.271 -11.266 1.00 1.00 O ATOM 290 CG2 THR A 19 1.920 1.872 -9.489 1.00 1.00 C ATOM 0 H THR A 19 -0.506 5.106 -9.956 1.00 1.00 H new ATOM 0 HA THR A 19 -0.777 2.193 -9.627 1.00 1.00 H new ATOM 0 HB THR A 19 1.660 4.014 -9.416 1.00 1.00 H new ATOM 0 HG1 THR A 19 1.988 3.302 -11.632 1.00 1.00 H new ATOM 0 HG21 THR A 19 2.930 1.930 -9.895 1.00 1.00 H new ATOM 0 HG22 THR A 19 1.970 1.771 -8.405 1.00 1.00 H new ATOM 0 HG23 THR A 19 1.409 1.007 -9.911 1.00 1.00 H new ATOM 298 N VAL A 20 -0.941 2.164 -7.146 1.00 1.00 N ATOM 299 CA VAL A 20 -0.984 2.078 -5.666 1.00 1.00 C ATOM 300 C VAL A 20 0.129 1.147 -5.176 1.00 1.00 C ATOM 301 O VAL A 20 0.149 -0.039 -5.504 1.00 1.00 O ATOM 302 CB VAL A 20 -2.370 1.548 -5.197 1.00 1.00 C ATOM 303 CG1 VAL A 20 -2.487 1.626 -3.651 1.00 1.00 C ATOM 304 CG2 VAL A 20 -3.488 2.405 -5.841 1.00 1.00 C ATOM 0 H VAL A 20 -1.455 1.427 -7.629 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.833 3.072 -5.246 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.473 0.507 -5.504 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -3.462 1.251 -3.341 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.704 1.020 -3.196 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -2.377 2.662 -3.330 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -4.461 2.038 -5.515 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.372 3.445 -5.535 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.419 2.337 -6.927 1.00 1.00 H new ATOM 314 N SER A 21 1.047 1.695 -4.387 1.00 1.00 N ATOM 315 CA SER A 21 2.183 0.925 -3.837 1.00 1.00 C ATOM 316 C SER A 21 2.308 1.158 -2.330 1.00 1.00 C ATOM 317 O SER A 21 2.251 2.290 -1.848 1.00 1.00 O ATOM 318 CB SER A 21 3.478 1.351 -4.544 1.00 1.00 C ATOM 319 OG SER A 21 3.333 1.141 -5.942 1.00 1.00 O ATOM 0 H SER A 21 1.035 2.676 -4.106 1.00 1.00 H new ATOM 0 HA SER A 21 2.008 -0.137 -4.008 1.00 1.00 H new ATOM 0 HB2 SER A 21 3.690 2.401 -4.341 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.322 0.776 -4.163 1.00 1.00 H new ATOM 0 HG SER A 21 4.156 1.412 -6.401 1.00 1.00 H new ATOM 325 N ALA A 22 2.488 0.066 -1.593 1.00 1.00 N ATOM 326 CA ALA A 22 2.629 0.113 -0.123 1.00 1.00 C ATOM 327 C ALA A 22 3.989 -0.455 0.294 1.00 1.00 C ATOM 328 O ALA A 22 4.361 -1.562 -0.092 1.00 1.00 O ATOM 329 CB ALA A 22 1.501 -0.712 0.519 1.00 1.00 C ATOM 0 H ALA A 22 2.541 -0.874 -1.984 1.00 1.00 H new ATOM 0 HA ALA A 22 2.564 1.148 0.213 1.00 1.00 H new ATOM 0 HB1 ALA A 22 1.600 -0.681 1.604 1.00 1.00 H new ATOM 0 HB2 ALA A 22 0.536 -0.295 0.231 1.00 1.00 H new ATOM 0 HB3 ALA A 22 1.567 -1.745 0.178 1.00 1.00 H new ATOM 335 N ARG A 23 4.718 0.311 1.099 1.00 1.00 N ATOM 336 CA ARG A 23 6.044 -0.127 1.565 1.00 1.00 C ATOM 337 C ARG A 23 5.889 -0.976 2.820 1.00 1.00 C ATOM 338 O ARG A 23 5.379 -0.513 3.839 1.00 1.00 O ATOM 339 CB ARG A 23 6.935 1.094 1.869 1.00 1.00 C ATOM 340 CG ARG A 23 7.159 1.914 0.577 1.00 1.00 C ATOM 341 CD ARG A 23 8.062 3.120 0.864 1.00 1.00 C ATOM 342 NE ARG A 23 8.277 3.899 -0.360 1.00 1.00 N ATOM 343 CZ ARG A 23 9.095 4.957 -0.384 1.00 1.00 C ATOM 344 NH1 ARG A 23 9.742 5.312 0.697 1.00 1.00 N ATOM 345 NH2 ARG A 23 9.253 5.636 -1.487 1.00 1.00 N ATOM 0 H ARG A 23 4.426 1.226 1.442 1.00 1.00 H new ATOM 0 HA ARG A 23 6.516 -0.719 0.781 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.466 1.718 2.630 1.00 1.00 H new ATOM 0 HB3 ARG A 23 7.893 0.765 2.273 1.00 1.00 H new ATOM 0 HG2 ARG A 23 7.614 1.284 -0.188 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.201 2.253 0.183 1.00 1.00 H new ATOM 0 HD2 ARG A 23 7.607 3.750 1.628 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.019 2.780 1.259 1.00 1.00 H new ATOM 0 HE ARG A 23 7.791 3.627 -1.214 1.00 1.00 H new ATOM 0 HH11 ARG A 23 9.623 4.781 1.560 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.365 6.119 0.676 1.00 1.00 H new ATOM 0 HH21 ARG A 23 8.752 5.360 -2.332 1.00 1.00 H new ATOM 0 HH22 ARG A 23 9.877 6.443 -1.504 1.00 1.00 H new ATOM 359 N VAL A 24 6.342 -2.225 2.740 1.00 1.00 N ATOM 360 CA VAL A 24 6.260 -3.167 3.880 1.00 1.00 C ATOM 361 C VAL A 24 7.643 -3.312 4.535 1.00 1.00 C ATOM 362 O VAL A 24 8.631 -3.619 3.869 1.00 1.00 O ATOM 363 CB VAL A 24 5.723 -4.552 3.388 1.00 1.00 C ATOM 364 CG1 VAL A 24 4.235 -4.420 2.975 1.00 1.00 C ATOM 365 CG2 VAL A 24 6.542 -5.065 2.182 1.00 1.00 C ATOM 0 H VAL A 24 6.771 -2.619 1.903 1.00 1.00 H new ATOM 0 HA VAL A 24 5.567 -2.778 4.626 1.00 1.00 H new ATOM 0 HB VAL A 24 5.820 -5.265 4.206 1.00 1.00 H new ATOM 0 HG11 VAL A 24 3.865 -5.387 2.633 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.648 -4.089 3.832 1.00 1.00 H new ATOM 0 HG13 VAL A 24 4.144 -3.691 2.170 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.149 -6.029 1.859 1.00 1.00 H new ATOM 0 HG22 VAL A 24 6.469 -4.350 1.362 1.00 1.00 H new ATOM 0 HG23 VAL A 24 7.586 -5.178 2.473 1.00 1.00 H new ATOM 375 N THR A 25 7.693 -3.097 5.847 1.00 1.00 N ATOM 376 CA THR A 25 8.953 -3.199 6.605 1.00 1.00 C ATOM 377 C THR A 25 9.159 -4.635 7.087 1.00 1.00 C ATOM 378 O THR A 25 8.297 -5.206 7.754 1.00 1.00 O ATOM 379 CB THR A 25 8.926 -2.226 7.810 1.00 1.00 C ATOM 380 OG1 THR A 25 8.664 -0.915 7.334 1.00 1.00 O ATOM 381 CG2 THR A 25 10.283 -2.223 8.554 1.00 1.00 C ATOM 0 H THR A 25 6.881 -2.851 6.413 1.00 1.00 H new ATOM 0 HA THR A 25 9.783 -2.927 5.953 1.00 1.00 H new ATOM 0 HB THR A 25 8.149 -2.552 8.502 1.00 1.00 H new ATOM 0 HG1 THR A 25 8.643 -0.291 8.089 1.00 1.00 H new ATOM 0 HG21 THR A 25 10.235 -1.531 9.395 1.00 1.00 H new ATOM 0 HG22 THR A 25 10.499 -3.226 8.921 1.00 1.00 H new ATOM 0 HG23 THR A 25 11.072 -1.909 7.871 1.00 1.00 H new ATOM 389 N ASN A 26 10.310 -5.208 6.744 1.00 1.00 N ATOM 390 CA ASN A 26 10.636 -6.579 7.146 1.00 1.00 C ATOM 391 C ASN A 26 11.207 -6.590 8.567 1.00 1.00 C ATOM 392 O ASN A 26 12.282 -6.054 8.826 1.00 1.00 O ATOM 393 CB ASN A 26 11.656 -7.173 6.168 1.00 1.00 C ATOM 394 CG ASN A 26 11.931 -8.639 6.501 1.00 1.00 C ATOM 395 OD1 ASN A 26 11.027 -9.350 6.944 1.00 1.00 O ATOM 396 ND2 ASN A 26 13.127 -9.125 6.335 1.00 1.00 N ATOM 0 H ASN A 26 11.033 -4.748 6.190 1.00 1.00 H new ATOM 0 HA ASN A 26 9.728 -7.181 7.129 1.00 1.00 H new ATOM 0 HB2 ASN A 26 11.280 -7.091 5.148 1.00 1.00 H new ATOM 0 HB3 ASN A 26 12.585 -6.604 6.213 1.00 1.00 H new ATOM 0 HD21 ASN A 26 13.319 -10.098 6.572 1.00 1.00 H new ATOM 0 HD22 ASN A 26 13.872 -8.533 5.968 1.00 1.00 H new ATOM 444 N ALA A 30 16.579 -12.345 10.949 1.00 1.00 N ATOM 445 CA ALA A 30 17.138 -13.185 9.872 1.00 1.00 C ATOM 446 C ALA A 30 16.431 -12.899 8.546 1.00 1.00 C ATOM 447 O ALA A 30 15.372 -12.271 8.506 1.00 1.00 O ATOM 448 CB ALA A 30 16.977 -14.670 10.245 1.00 1.00 C ATOM 0 HA ALA A 30 18.196 -12.952 9.754 1.00 1.00 H new ATOM 0 HB1 ALA A 30 17.389 -15.292 9.450 1.00 1.00 H new ATOM 0 HB2 ALA A 30 17.508 -14.871 11.175 1.00 1.00 H new ATOM 0 HB3 ALA A 30 15.919 -14.900 10.374 1.00 1.00 H new ATOM 454 N GLU A 31 17.034 -13.373 7.461 1.00 1.00 N ATOM 455 CA GLU A 31 16.465 -13.163 6.118 1.00 1.00 C ATOM 456 C GLU A 31 15.033 -13.712 6.050 1.00 1.00 C ATOM 457 O GLU A 31 14.808 -14.903 6.269 1.00 1.00 O ATOM 458 CB GLU A 31 17.343 -13.865 5.061 1.00 1.00 C ATOM 459 CG GLU A 31 18.764 -13.256 5.060 1.00 1.00 C ATOM 460 CD GLU A 31 19.665 -13.944 4.023 1.00 1.00 C ATOM 461 OE1 GLU A 31 19.188 -14.817 3.312 1.00 1.00 O ATOM 462 OE2 GLU A 31 20.827 -13.580 3.957 1.00 1.00 O ATOM 0 H GLU A 31 17.907 -13.900 7.475 1.00 1.00 H new ATOM 0 HA GLU A 31 16.440 -12.093 5.914 1.00 1.00 H new ATOM 0 HB2 GLU A 31 17.397 -14.933 5.273 1.00 1.00 H new ATOM 0 HB3 GLU A 31 16.893 -13.758 4.074 1.00 1.00 H new ATOM 0 HG2 GLU A 31 18.705 -12.189 4.843 1.00 1.00 H new ATOM 0 HG3 GLU A 31 19.205 -13.356 6.052 1.00 1.00 H new ATOM 469 N ALA A 32 14.076 -12.839 5.749 1.00 1.00 N ATOM 470 CA ALA A 32 12.661 -13.235 5.661 1.00 1.00 C ATOM 471 C ALA A 32 12.291 -13.505 4.214 1.00 1.00 C ATOM 472 O ALA A 32 12.876 -12.938 3.292 1.00 1.00 O ATOM 473 CB ALA A 32 11.774 -12.109 6.212 1.00 1.00 C ATOM 0 H ALA A 32 14.248 -11.851 5.561 1.00 1.00 H new ATOM 0 HA ALA A 32 12.507 -14.140 6.248 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.727 -12.405 6.146 1.00 1.00 H new ATOM 0 HB2 ALA A 32 12.032 -11.919 7.254 1.00 1.00 H new ATOM 0 HB3 ALA A 32 11.932 -11.202 5.628 1.00 1.00 H new ATOM 479 N HIS A 33 11.297 -14.366 4.021 1.00 1.00 N ATOM 480 CA HIS A 33 10.827 -14.710 2.677 1.00 1.00 C ATOM 481 C HIS A 33 9.325 -14.965 2.704 1.00 1.00 C ATOM 482 O HIS A 33 8.687 -14.981 3.757 1.00 1.00 O ATOM 483 CB HIS A 33 11.601 -15.947 2.151 1.00 1.00 C ATOM 484 CG HIS A 33 11.421 -16.085 0.658 1.00 1.00 C ATOM 485 ND1 HIS A 33 10.510 -16.965 0.099 1.00 1.00 N ATOM 486 CD2 HIS A 33 12.012 -15.430 -0.399 1.00 1.00 C ATOM 487 CE1 HIS A 33 10.573 -16.820 -1.237 1.00 1.00 C ATOM 488 NE2 HIS A 33 11.471 -15.897 -1.594 1.00 1.00 N ATOM 0 H HIS A 33 10.800 -14.840 4.775 1.00 1.00 H new ATOM 0 HA HIS A 33 11.016 -13.879 1.998 1.00 1.00 H new ATOM 0 HB2 HIS A 33 12.660 -15.849 2.388 1.00 1.00 H new ATOM 0 HB3 HIS A 33 11.244 -16.847 2.651 1.00 1.00 H new ATOM 0 HD2 HIS A 33 12.776 -14.672 -0.314 1.00 1.00 H new ATOM 0 HE1 HIS A 33 9.971 -17.381 -1.936 1.00 1.00 H new ATOM 0 HE2 HIS A 33 11.709 -15.598 -2.540 1.00 1.00 H new ATOM 497 N ASN A 34 8.763 -15.150 1.513 1.00 1.00 N ATOM 498 CA ASN A 34 7.316 -15.390 1.392 1.00 1.00 C ATOM 499 C ASN A 34 6.515 -14.350 2.210 1.00 1.00 C ATOM 500 O ASN A 34 5.753 -14.697 3.112 1.00 1.00 O ATOM 501 CB ASN A 34 6.985 -16.818 1.864 1.00 1.00 C ATOM 502 CG ASN A 34 7.746 -17.842 1.024 1.00 1.00 C ATOM 503 OD1 ASN A 34 8.478 -18.669 1.564 1.00 1.00 O ATOM 504 ND2 ASN A 34 7.614 -17.833 -0.275 1.00 1.00 N ATOM 0 H ASN A 34 9.271 -15.140 0.628 1.00 1.00 H new ATOM 0 HA ASN A 34 7.030 -15.285 0.345 1.00 1.00 H new ATOM 0 HB2 ASN A 34 7.249 -16.931 2.915 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.913 -16.996 1.784 1.00 1.00 H new ATOM 0 HD21 ASN A 34 8.119 -18.513 -0.844 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.006 -17.146 -0.721 1.00 1.00 H new ATOM 511 N VAL A 35 6.702 -13.079 1.869 1.00 1.00 N ATOM 512 CA VAL A 35 6.006 -11.966 2.570 1.00 1.00 C ATOM 513 C VAL A 35 4.982 -11.311 1.620 1.00 1.00 C ATOM 514 O VAL A 35 5.332 -10.331 0.962 1.00 1.00 O ATOM 515 CB VAL A 35 7.044 -10.912 3.056 1.00 1.00 C ATOM 516 CG1 VAL A 35 6.352 -9.826 3.926 1.00 1.00 C ATOM 517 CG2 VAL A 35 8.137 -11.623 3.895 1.00 1.00 C ATOM 0 H VAL A 35 7.323 -12.778 1.118 1.00 1.00 H new ATOM 0 HA VAL A 35 5.479 -12.362 3.438 1.00 1.00 H new ATOM 0 HB VAL A 35 7.492 -10.431 2.187 1.00 1.00 H new ATOM 0 HG11 VAL A 35 7.093 -9.098 4.257 1.00 1.00 H new ATOM 0 HG12 VAL A 35 5.586 -9.322 3.337 1.00 1.00 H new ATOM 0 HG13 VAL A 35 5.891 -10.295 4.795 1.00 1.00 H new ATOM 0 HG21 VAL A 35 8.867 -10.890 4.238 1.00 1.00 H new ATOM 0 HG22 VAL A 35 7.677 -12.107 4.756 1.00 1.00 H new ATOM 0 HG23 VAL A 35 8.637 -12.372 3.281 1.00 1.00 H new ATOM 527 N PRO A 36 3.774 -11.799 1.548 1.00 1.00 N ATOM 528 CA PRO A 36 2.747 -11.181 0.644 1.00 1.00 C ATOM 529 C PRO A 36 2.187 -9.888 1.235 1.00 1.00 C ATOM 530 O PRO A 36 2.481 -9.512 2.370 1.00 1.00 O ATOM 531 CB PRO A 36 1.687 -12.299 0.475 1.00 1.00 C ATOM 532 CG PRO A 36 1.718 -13.037 1.785 1.00 1.00 C ATOM 533 CD PRO A 36 3.199 -12.986 2.260 1.00 1.00 C ATOM 0 HA PRO A 36 3.148 -10.867 -0.320 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.699 -11.884 0.275 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.932 -12.957 -0.359 1.00 1.00 H new ATOM 0 HG2 PRO A 36 1.056 -12.569 2.514 1.00 1.00 H new ATOM 0 HG3 PRO A 36 1.381 -14.066 1.663 1.00 1.00 H new ATOM 0 HD2 PRO A 36 3.266 -12.872 3.342 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.732 -13.901 2.002 1.00 1.00 H new ATOM 541 N VAL A 37 1.374 -9.209 0.434 1.00 1.00 N ATOM 542 CA VAL A 37 0.762 -7.936 0.854 1.00 1.00 C ATOM 543 C VAL A 37 -0.590 -7.765 0.182 1.00 1.00 C ATOM 544 O VAL A 37 -0.784 -8.140 -0.975 1.00 1.00 O ATOM 545 CB VAL A 37 1.708 -6.753 0.499 1.00 1.00 C ATOM 546 CG1 VAL A 37 1.928 -6.653 -1.029 1.00 1.00 C ATOM 547 CG2 VAL A 37 1.139 -5.413 1.037 1.00 1.00 C ATOM 0 H VAL A 37 1.119 -9.510 -0.507 1.00 1.00 H new ATOM 0 HA VAL A 37 0.611 -7.946 1.933 1.00 1.00 H new ATOM 0 HB VAL A 37 2.669 -6.947 0.976 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.593 -5.817 -1.247 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.376 -7.578 -1.393 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.970 -6.493 -1.525 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.817 -4.600 0.777 1.00 1.00 H new ATOM 0 HG22 VAL A 37 0.162 -5.228 0.591 1.00 1.00 H new ATOM 0 HG23 VAL A 37 1.038 -5.469 2.121 1.00 1.00 H new ATOM 557 N ALA A 38 -1.523 -7.169 0.916 1.00 1.00 N ATOM 558 CA ALA A 38 -2.879 -6.919 0.409 1.00 1.00 C ATOM 559 C ALA A 38 -3.274 -5.477 0.701 1.00 1.00 C ATOM 560 O ALA A 38 -3.120 -4.990 1.820 1.00 1.00 O ATOM 561 CB ALA A 38 -3.866 -7.873 1.106 1.00 1.00 C ATOM 0 H ALA A 38 -1.369 -6.846 1.871 1.00 1.00 H new ATOM 0 HA ALA A 38 -2.904 -7.089 -0.667 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -4.874 -7.691 0.732 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.583 -8.905 0.898 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.841 -7.700 2.182 1.00 1.00 H new ATOM 567 N VAL A 39 -3.816 -4.807 -0.311 1.00 1.00 N ATOM 568 CA VAL A 39 -4.254 -3.407 -0.189 1.00 1.00 C ATOM 569 C VAL A 39 -5.755 -3.326 -0.437 1.00 1.00 C ATOM 570 O VAL A 39 -6.318 -4.070 -1.241 1.00 1.00 O ATOM 571 CB VAL A 39 -3.491 -2.518 -1.215 1.00 1.00 C ATOM 572 CG1 VAL A 39 -3.793 -1.019 -0.962 1.00 1.00 C ATOM 573 CG2 VAL A 39 -1.968 -2.765 -1.078 1.00 1.00 C ATOM 0 H VAL A 39 -3.966 -5.209 -1.236 1.00 1.00 H new ATOM 0 HA VAL A 39 -4.035 -3.044 0.815 1.00 1.00 H new ATOM 0 HB VAL A 39 -3.821 -2.780 -2.221 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -3.252 -0.411 -1.687 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -4.863 -0.841 -1.066 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -3.476 -0.749 0.045 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.433 -2.143 -1.796 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.648 -2.511 -0.068 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.751 -3.815 -1.274 1.00 1.00 H new ATOM 583 N TYR A 40 -6.399 -2.403 0.269 1.00 1.00 N ATOM 584 CA TYR A 40 -7.848 -2.212 0.128 1.00 1.00 C ATOM 585 C TYR A 40 -8.223 -0.783 0.520 1.00 1.00 C ATOM 586 O TYR A 40 -7.676 -0.221 1.469 1.00 1.00 O ATOM 587 CB TYR A 40 -8.594 -3.245 1.006 1.00 1.00 C ATOM 588 CG TYR A 40 -8.088 -3.139 2.449 1.00 1.00 C ATOM 589 CD1 TYR A 40 -8.694 -2.242 3.350 1.00 1.00 C ATOM 590 CD2 TYR A 40 -6.996 -3.921 2.882 1.00 1.00 C ATOM 591 CE1 TYR A 40 -8.218 -2.134 4.658 1.00 1.00 C ATOM 592 CE2 TYR A 40 -6.525 -3.803 4.194 1.00 1.00 C ATOM 593 CZ TYR A 40 -7.138 -2.907 5.080 1.00 1.00 C ATOM 594 OH TYR A 40 -6.676 -2.783 6.372 1.00 1.00 O ATOM 0 H TYR A 40 -5.951 -1.778 0.940 1.00 1.00 H new ATOM 0 HA TYR A 40 -8.141 -2.367 -0.910 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.668 -3.062 0.970 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.429 -4.252 0.623 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -9.529 -1.637 3.028 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -6.523 -4.612 2.199 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.689 -1.448 5.346 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -5.689 -4.402 4.524 1.00 1.00 H new ATOM 0 HH TYR A 40 -7.027 -3.518 6.917 1.00 1.00 H new ATOM 604 N LEU A 41 -9.172 -0.210 -0.212 1.00 1.00 N ATOM 605 CA LEU A 41 -9.624 1.181 0.055 1.00 1.00 C ATOM 606 C LEU A 41 -10.892 1.152 0.929 1.00 1.00 C ATOM 607 O LEU A 41 -11.849 0.433 0.643 1.00 1.00 O ATOM 608 CB LEU A 41 -9.880 1.924 -1.306 1.00 1.00 C ATOM 609 CG LEU A 41 -9.617 3.464 -1.186 1.00 1.00 C ATOM 610 CD1 LEU A 41 -9.860 4.146 -2.552 1.00 1.00 C ATOM 611 CD2 LEU A 41 -10.508 4.110 -0.085 1.00 1.00 C ATOM 0 H LEU A 41 -9.648 -0.668 -0.989 1.00 1.00 H new ATOM 0 HA LEU A 41 -8.851 1.727 0.597 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -9.234 1.504 -2.077 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -10.908 1.755 -1.625 1.00 1.00 H new ATOM 0 HG LEU A 41 -8.577 3.611 -0.893 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -9.676 5.217 -2.462 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -9.185 3.723 -3.295 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -10.891 3.980 -2.863 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -10.300 5.178 -0.029 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -11.559 3.958 -0.332 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -10.290 3.647 0.877 1.00 1.00 H new ATOM 623 N GLY A 42 -10.872 1.938 2.001 1.00 1.00 N ATOM 624 CA GLY A 42 -12.005 2.023 2.942 1.00 1.00 C ATOM 625 C GLY A 42 -11.575 1.581 4.337 1.00 1.00 C ATOM 626 O GLY A 42 -10.408 1.687 4.715 1.00 1.00 O ATOM 0 H GLY A 42 -10.081 2.533 2.249 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.380 3.046 2.978 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.824 1.395 2.592 1.00 1.00 H new ATOM 630 N ASN A 43 -12.542 1.085 5.101 1.00 1.00 N ATOM 631 CA ASN A 43 -12.273 0.627 6.492 1.00 1.00 C ATOM 632 C ASN A 43 -12.754 -0.839 6.716 1.00 1.00 C ATOM 633 O ASN A 43 -13.834 -1.177 6.231 1.00 1.00 O ATOM 634 CB ASN A 43 -12.988 1.577 7.471 1.00 1.00 C ATOM 635 CG ASN A 43 -12.463 3.004 7.287 1.00 1.00 C ATOM 636 OD1 ASN A 43 -11.450 3.372 7.883 1.00 1.00 O ATOM 637 ND2 ASN A 43 -13.084 3.825 6.489 1.00 1.00 N ATOM 0 H ASN A 43 -13.512 0.984 4.802 1.00 1.00 H new ATOM 0 HA ASN A 43 -11.197 0.645 6.667 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -14.064 1.550 7.297 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -12.822 1.248 8.497 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -12.731 4.773 6.358 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -13.923 3.520 5.996 1.00 1.00 H new ATOM 644 N PRO A 44 -12.025 -1.657 7.425 1.00 1.00 N ATOM 645 CA PRO A 44 -12.479 -3.083 7.674 1.00 1.00 C ATOM 646 C PRO A 44 -13.925 -3.169 8.212 1.00 1.00 C ATOM 647 O PRO A 44 -14.670 -4.093 7.884 1.00 1.00 O ATOM 648 CB PRO A 44 -11.471 -3.621 8.730 1.00 1.00 C ATOM 649 CG PRO A 44 -10.220 -2.822 8.506 1.00 1.00 C ATOM 650 CD PRO A 44 -10.701 -1.413 8.081 1.00 1.00 C ATOM 0 HA PRO A 44 -12.491 -3.660 6.749 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -11.850 -3.487 9.743 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -11.289 -4.687 8.596 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -9.617 -2.774 9.413 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -9.598 -3.274 7.733 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -10.799 -0.750 8.941 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -9.997 -0.943 7.394 1.00 1.00 H new ATOM 658 N ALA A 45 -14.295 -2.202 9.045 1.00 1.00 N ATOM 659 CA ALA A 45 -15.642 -2.175 9.639 1.00 1.00 C ATOM 660 C ALA A 45 -16.719 -2.094 8.549 1.00 1.00 C ATOM 661 O ALA A 45 -17.708 -2.827 8.575 1.00 1.00 O ATOM 662 CB ALA A 45 -15.763 -0.963 10.581 1.00 1.00 C ATOM 0 H ALA A 45 -13.692 -1.429 9.327 1.00 1.00 H new ATOM 0 HA ALA A 45 -15.793 -3.096 10.202 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -16.760 -0.942 11.021 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -15.018 -1.042 11.373 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -15.596 -0.045 10.017 1.00 1.00 H new ATOM 668 N GLN A 46 -16.509 -1.198 7.592 1.00 1.00 N ATOM 669 CA GLN A 46 -17.462 -1.021 6.486 1.00 1.00 C ATOM 670 C GLN A 46 -17.501 -2.279 5.616 1.00 1.00 C ATOM 671 O GLN A 46 -18.451 -3.058 5.680 1.00 1.00 O ATOM 672 CB GLN A 46 -17.041 0.201 5.636 1.00 1.00 C ATOM 673 CG GLN A 46 -17.075 1.499 6.484 1.00 1.00 C ATOM 674 CD GLN A 46 -18.506 1.859 6.888 1.00 1.00 C ATOM 675 OE1 GLN A 46 -18.797 2.011 8.075 1.00 1.00 O ATOM 676 NE2 GLN A 46 -19.422 1.986 5.967 1.00 1.00 N ATOM 0 H GLN A 46 -15.696 -0.584 7.553 1.00 1.00 H new ATOM 0 HA GLN A 46 -18.458 -0.851 6.894 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -16.037 0.046 5.240 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -17.709 0.302 4.781 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -16.464 1.369 7.377 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -16.638 2.320 5.915 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -19.178 1.860 4.985 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -20.381 2.212 6.230 1.00 1.00 H new ATOM 685 N GLY A 47 -16.467 -2.464 4.802 1.00 1.00 N ATOM 686 CA GLY A 47 -16.388 -3.633 3.920 1.00 1.00 C ATOM 687 C GLY A 47 -15.211 -3.515 2.966 1.00 1.00 C ATOM 688 O GLY A 47 -15.399 -3.368 1.758 1.00 1.00 O ATOM 0 H GLY A 47 -15.674 -1.826 4.731 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -16.287 -4.539 4.518 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -17.313 -3.728 3.352 1.00 1.00 H new ATOM 692 N GLY A 48 -13.998 -3.581 3.506 1.00 1.00 N ATOM 693 CA GLY A 48 -12.789 -3.485 2.693 1.00 1.00 C ATOM 694 C GLY A 48 -12.681 -4.673 1.739 1.00 1.00 C ATOM 695 O GLY A 48 -13.179 -5.760 2.033 1.00 1.00 O ATOM 0 H GLY A 48 -13.825 -3.701 4.504 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -12.801 -2.556 2.124 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -11.912 -3.451 3.340 1.00 1.00 H new ATOM 699 N VAL A 49 -12.026 -4.460 0.602 1.00 1.00 N ATOM 700 CA VAL A 49 -11.846 -5.524 -0.415 1.00 1.00 C ATOM 701 C VAL A 49 -10.445 -5.448 -1.024 1.00 1.00 C ATOM 702 O VAL A 49 -9.938 -4.368 -1.329 1.00 1.00 O ATOM 703 CB VAL A 49 -12.932 -5.372 -1.521 1.00 1.00 C ATOM 704 CG1 VAL A 49 -12.813 -3.999 -2.235 1.00 1.00 C ATOM 705 CG2 VAL A 49 -12.821 -6.519 -2.564 1.00 1.00 C ATOM 0 H VAL A 49 -11.606 -3.565 0.350 1.00 1.00 H new ATOM 0 HA VAL A 49 -11.956 -6.498 0.061 1.00 1.00 H new ATOM 0 HB VAL A 49 -13.906 -5.429 -1.036 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -13.583 -3.920 -3.002 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -12.942 -3.198 -1.507 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -11.830 -3.914 -2.698 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -13.589 -6.393 -3.327 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -11.837 -6.491 -3.032 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -12.959 -7.479 -2.066 1.00 1.00 H new ATOM 715 N GLU A 50 -9.831 -6.613 -1.206 1.00 1.00 N ATOM 716 CA GLU A 50 -8.492 -6.679 -1.789 1.00 1.00 C ATOM 717 C GLU A 50 -8.546 -6.253 -3.264 1.00 1.00 C ATOM 718 O GLU A 50 -9.428 -6.664 -4.019 1.00 1.00 O ATOM 719 CB GLU A 50 -7.925 -8.114 -1.654 1.00 1.00 C ATOM 720 CG GLU A 50 -6.458 -8.179 -2.155 1.00 1.00 C ATOM 721 CD GLU A 50 -5.885 -9.581 -1.939 1.00 1.00 C ATOM 722 OE1 GLU A 50 -6.540 -10.533 -2.334 1.00 1.00 O ATOM 723 OE2 GLU A 50 -4.800 -9.683 -1.388 1.00 1.00 O ATOM 0 H GLU A 50 -10.233 -7.518 -0.961 1.00 1.00 H new ATOM 0 HA GLU A 50 -7.831 -5.997 -1.254 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -7.972 -8.431 -0.612 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -8.540 -8.808 -2.227 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -6.416 -7.921 -3.213 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -5.852 -7.445 -1.623 1.00 1.00 H new ATOM 730 N ILE A 51 -7.578 -5.433 -3.659 1.00 1.00 N ATOM 731 CA ILE A 51 -7.499 -4.931 -5.057 1.00 1.00 C ATOM 732 C ILE A 51 -6.443 -5.717 -5.821 1.00 1.00 C ATOM 733 O ILE A 51 -6.611 -6.025 -7.001 1.00 1.00 O ATOM 734 CB ILE A 51 -7.152 -3.411 -5.063 1.00 1.00 C ATOM 735 CG1 ILE A 51 -8.214 -2.638 -4.216 1.00 1.00 C ATOM 736 CG2 ILE A 51 -7.157 -2.866 -6.521 1.00 1.00 C ATOM 737 CD1 ILE A 51 -7.801 -1.166 -4.024 1.00 1.00 C ATOM 0 H ILE A 51 -6.835 -5.095 -3.048 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.465 -5.066 -5.543 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.160 -3.268 -4.635 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.184 -2.686 -4.711 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.328 -3.117 -3.244 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -6.913 -1.804 -6.513 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.416 -3.404 -7.113 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -8.145 -3.009 -6.959 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.557 -0.650 -3.431 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.842 -1.122 -3.507 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -7.711 -0.683 -4.997 1.00 1.00 H new ATOM 749 N GLY A 52 -5.340 -6.022 -5.142 1.00 1.00 N ATOM 750 CA GLY A 52 -4.244 -6.765 -5.763 1.00 1.00 C ATOM 751 C GLY A 52 -3.157 -7.063 -4.748 1.00 1.00 C ATOM 752 O GLY A 52 -3.109 -6.470 -3.671 1.00 1.00 O ATOM 0 H GLY A 52 -5.181 -5.768 -4.167 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.622 -7.697 -6.183 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -3.829 -6.188 -6.589 1.00 1.00 H new ATOM 756 N ARG A 53 -2.279 -7.998 -5.098 1.00 1.00 N ATOM 757 CA ARG A 53 -1.175 -8.402 -4.220 1.00 1.00 C ATOM 758 C ARG A 53 0.029 -8.847 -5.053 1.00 1.00 C ATOM 759 O ARG A 53 -0.078 -9.156 -6.240 1.00 1.00 O ATOM 760 CB ARG A 53 -1.645 -9.544 -3.286 1.00 1.00 C ATOM 761 CG ARG A 53 -2.240 -10.710 -4.113 1.00 1.00 C ATOM 762 CD ARG A 53 -2.717 -11.840 -3.177 1.00 1.00 C ATOM 763 NE ARG A 53 -1.582 -12.386 -2.422 1.00 1.00 N ATOM 764 CZ ARG A 53 -0.647 -13.160 -2.990 1.00 1.00 C ATOM 765 NH1 ARG A 53 -0.716 -13.465 -4.259 1.00 1.00 N ATOM 766 NH2 ARG A 53 0.339 -13.614 -2.267 1.00 1.00 N ATOM 0 H ARG A 53 -2.308 -8.495 -5.988 1.00 1.00 H new ATOM 0 HA ARG A 53 -0.871 -7.551 -3.610 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -0.806 -9.904 -2.691 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.392 -9.167 -2.588 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -3.075 -10.350 -4.714 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -1.491 -11.094 -4.805 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -3.471 -11.458 -2.489 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -3.189 -12.630 -3.760 1.00 1.00 H new ATOM 0 HE ARG A 53 -1.502 -12.168 -1.429 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -1.487 -13.113 -4.827 1.00 1.00 H new ATOM 0 HH12 ARG A 53 0.001 -14.055 -4.681 1.00 1.00 H new ATOM 0 HH21 ARG A 53 0.395 -13.379 -1.276 1.00 1.00 H new ATOM 0 HH22 ARG A 53 1.054 -14.204 -2.693 1.00 1.00 H new ATOM 780 N ASP A 54 1.186 -8.878 -4.398 1.00 1.00 N ATOM 781 CA ASP A 54 2.436 -9.286 -5.063 1.00 1.00 C ATOM 782 C ASP A 54 3.432 -9.823 -4.031 1.00 1.00 C ATOM 783 O ASP A 54 3.852 -9.094 -3.133 1.00 1.00 O ATOM 784 CB ASP A 54 3.062 -8.077 -5.796 1.00 1.00 C ATOM 785 CG ASP A 54 2.108 -7.554 -6.874 1.00 1.00 C ATOM 786 OD1 ASP A 54 1.820 -8.306 -7.790 1.00 1.00 O ATOM 787 OD2 ASP A 54 1.678 -6.416 -6.766 1.00 1.00 O ATOM 0 H ASP A 54 1.292 -8.629 -3.415 1.00 1.00 H new ATOM 0 HA ASP A 54 2.207 -10.070 -5.784 1.00 1.00 H new ATOM 0 HB2 ASP A 54 3.283 -7.284 -5.081 1.00 1.00 H new ATOM 0 HB3 ASP A 54 4.009 -8.369 -6.250 1.00 1.00 H new ATOM 792 N THR A 55 3.817 -11.087 -4.177 1.00 1.00 N ATOM 793 CA THR A 55 4.780 -11.702 -3.258 1.00 1.00 C ATOM 794 C THR A 55 6.194 -11.264 -3.630 1.00 1.00 C ATOM 795 O THR A 55 6.587 -11.299 -4.796 1.00 1.00 O ATOM 796 CB THR A 55 4.664 -13.245 -3.300 1.00 1.00 C ATOM 797 OG1 THR A 55 3.308 -13.605 -3.086 1.00 1.00 O ATOM 798 CG2 THR A 55 5.530 -13.895 -2.196 1.00 1.00 C ATOM 0 H THR A 55 3.482 -11.705 -4.916 1.00 1.00 H new ATOM 0 HA THR A 55 4.560 -11.373 -2.242 1.00 1.00 H new ATOM 0 HB THR A 55 5.013 -13.596 -4.271 1.00 1.00 H new ATOM 0 HG1 THR A 55 3.221 -14.581 -3.112 1.00 1.00 H new ATOM 0 HG21 THR A 55 5.431 -14.979 -2.247 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.574 -13.619 -2.343 1.00 1.00 H new ATOM 0 HG23 THR A 55 5.196 -13.546 -1.219 1.00 1.00 H new ATOM 806 N ILE A 56 6.958 -10.863 -2.620 1.00 1.00 N ATOM 807 CA ILE A 56 8.349 -10.406 -2.819 1.00 1.00 C ATOM 808 C ILE A 56 9.309 -11.461 -2.263 1.00 1.00 C ATOM 809 O ILE A 56 9.032 -12.116 -1.259 1.00 1.00 O ATOM 810 CB ILE A 56 8.577 -9.044 -2.090 1.00 1.00 C ATOM 811 CG1 ILE A 56 7.505 -8.010 -2.564 1.00 1.00 C ATOM 812 CG2 ILE A 56 10.002 -8.499 -2.415 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.608 -6.699 -1.756 1.00 1.00 C ATOM 0 H ILE A 56 6.646 -10.841 -1.649 1.00 1.00 H new ATOM 0 HA ILE A 56 8.535 -10.267 -3.884 1.00 1.00 H new ATOM 0 HB ILE A 56 8.487 -9.196 -1.014 1.00 1.00 H new ATOM 0 HG12 ILE A 56 7.641 -7.800 -3.625 1.00 1.00 H new ATOM 0 HG13 ILE A 56 6.508 -8.435 -2.449 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.154 -7.549 -1.903 1.00 1.00 H new ATOM 0 HG22 ILE A 56 10.751 -9.216 -2.079 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.098 -8.351 -3.491 1.00 1.00 H new ATOM 0 HD11 ILE A 56 6.852 -5.996 -2.105 1.00 1.00 H new ATOM 0 HD12 ILE A 56 7.447 -6.910 -0.699 1.00 1.00 H new ATOM 0 HD13 ILE A 56 8.598 -6.264 -1.893 1.00 1.00 H new ATOM 825 N SER A 57 10.451 -11.599 -2.927 1.00 1.00 N ATOM 826 CA SER A 57 11.482 -12.564 -2.483 1.00 1.00 C ATOM 827 C SER A 57 12.694 -11.833 -1.919 1.00 1.00 C ATOM 828 O SER A 57 13.112 -12.063 -0.784 1.00 1.00 O ATOM 829 CB SER A 57 11.924 -13.428 -3.672 1.00 1.00 C ATOM 830 OG SER A 57 12.949 -14.320 -3.249 1.00 1.00 O ATOM 0 H SER A 57 10.696 -11.069 -3.764 1.00 1.00 H new ATOM 0 HA SER A 57 11.054 -13.194 -1.703 1.00 1.00 H new ATOM 0 HB2 SER A 57 11.076 -13.990 -4.064 1.00 1.00 H new ATOM 0 HB3 SER A 57 12.288 -12.795 -4.481 1.00 1.00 H new ATOM 0 HG SER A 57 13.233 -14.875 -4.006 1.00 1.00 H new ATOM 836 N ARG A 58 13.264 -10.955 -2.738 1.00 1.00 N ATOM 837 CA ARG A 58 14.448 -10.192 -2.323 1.00 1.00 C ATOM 838 C ARG A 58 14.122 -9.245 -1.157 1.00 1.00 C ATOM 839 O ARG A 58 13.918 -8.044 -1.340 1.00 1.00 O ATOM 840 CB ARG A 58 14.989 -9.385 -3.536 1.00 1.00 C ATOM 841 CG ARG A 58 16.441 -8.833 -3.269 1.00 1.00 C ATOM 842 CD ARG A 58 17.513 -9.858 -3.718 1.00 1.00 C ATOM 843 NE ARG A 58 18.841 -9.431 -3.251 1.00 1.00 N ATOM 844 CZ ARG A 58 19.234 -9.592 -1.977 1.00 1.00 C ATOM 845 NH1 ARG A 58 18.428 -10.127 -1.097 1.00 1.00 N ATOM 846 NH2 ARG A 58 20.427 -9.212 -1.616 1.00 1.00 N ATOM 0 H ARG A 58 12.935 -10.752 -3.682 1.00 1.00 H new ATOM 0 HA ARG A 58 15.209 -10.891 -1.977 1.00 1.00 H new ATOM 0 HB2 ARG A 58 14.999 -10.021 -4.421 1.00 1.00 H new ATOM 0 HB3 ARG A 58 14.317 -8.553 -3.749 1.00 1.00 H new ATOM 0 HG2 ARG A 58 16.582 -7.895 -3.805 1.00 1.00 H new ATOM 0 HG3 ARG A 58 16.562 -8.615 -2.208 1.00 1.00 H new ATOM 0 HD2 ARG A 58 17.277 -10.844 -3.317 1.00 1.00 H new ATOM 0 HD3 ARG A 58 17.511 -9.947 -4.804 1.00 1.00 H new ATOM 0 HE ARG A 58 19.483 -8.999 -3.915 1.00 1.00 H new ATOM 0 HH11 ARG A 58 17.493 -10.425 -1.376 1.00 1.00 H new ATOM 0 HH12 ARG A 58 18.734 -10.246 -0.131 1.00 1.00 H new ATOM 0 HH21 ARG A 58 21.058 -8.794 -2.300 1.00 1.00 H new ATOM 0 HH22 ARG A 58 20.730 -9.332 -0.649 1.00 1.00 H new ATOM 860 N ILE A 59 14.068 -9.815 0.042 1.00 1.00 N ATOM 861 CA ILE A 59 13.765 -9.016 1.265 1.00 1.00 C ATOM 862 C ILE A 59 14.903 -9.161 2.305 1.00 1.00 C ATOM 863 O ILE A 59 14.796 -10.033 3.168 1.00 1.00 O ATOM 864 CB ILE A 59 12.420 -9.469 1.875 1.00 1.00 C ATOM 865 CG1 ILE A 59 11.342 -9.490 0.749 1.00 1.00 C ATOM 866 CG2 ILE A 59 11.991 -8.490 3.002 1.00 1.00 C ATOM 867 CD1 ILE A 59 9.974 -9.920 1.273 1.00 1.00 C ATOM 0 H ILE A 59 14.224 -10.809 0.212 1.00 1.00 H new ATOM 0 HA ILE A 59 13.688 -7.966 0.984 1.00 1.00 H new ATOM 0 HB ILE A 59 12.526 -10.465 2.304 1.00 1.00 H new ATOM 0 HG12 ILE A 59 11.264 -8.498 0.304 1.00 1.00 H new ATOM 0 HG13 ILE A 59 11.657 -10.171 -0.042 1.00 1.00 H new ATOM 0 HG21 ILE A 59 11.042 -8.817 3.426 1.00 1.00 H new ATOM 0 HG22 ILE A 59 12.752 -8.477 3.782 1.00 1.00 H new ATOM 0 HG23 ILE A 59 11.878 -7.487 2.589 1.00 1.00 H new ATOM 0 HD11 ILE A 59 9.254 -9.920 0.454 1.00 1.00 H new ATOM 0 HD12 ILE A 59 10.045 -10.923 1.694 1.00 1.00 H new ATOM 0 HD13 ILE A 59 9.645 -9.224 2.045 1.00 1.00 H new ATOM 879 N PRO A 60 15.934 -8.365 2.246 1.00 1.00 N ATOM 880 CA PRO A 60 17.064 -8.464 3.235 1.00 1.00 C ATOM 881 C PRO A 60 16.672 -7.893 4.606 1.00 1.00 C ATOM 882 O PRO A 60 15.685 -7.168 4.742 1.00 1.00 O ATOM 883 CB PRO A 60 18.210 -7.674 2.549 1.00 1.00 C ATOM 884 CG PRO A 60 17.496 -6.606 1.763 1.00 1.00 C ATOM 885 CD PRO A 60 16.188 -7.269 1.261 1.00 1.00 C ATOM 0 HA PRO A 60 17.354 -9.490 3.459 1.00 1.00 H new ATOM 0 HB2 PRO A 60 18.891 -7.242 3.282 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.805 -8.317 1.900 1.00 1.00 H new ATOM 0 HG2 PRO A 60 17.282 -5.737 2.385 1.00 1.00 H new ATOM 0 HG3 PRO A 60 18.105 -6.258 0.929 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.364 -6.556 1.236 1.00 1.00 H new ATOM 0 HD3 PRO A 60 16.302 -7.660 0.250 1.00 1.00 H new ATOM 893 N VAL A 61 17.464 -8.236 5.617 1.00 1.00 N ATOM 894 CA VAL A 61 17.215 -7.778 6.983 1.00 1.00 C ATOM 895 C VAL A 61 17.466 -6.278 7.096 1.00 1.00 C ATOM 896 O VAL A 61 18.390 -5.755 6.474 1.00 1.00 O ATOM 897 CB VAL A 61 18.131 -8.561 7.957 1.00 1.00 C ATOM 898 CG1 VAL A 61 17.770 -10.063 7.912 1.00 1.00 C ATOM 899 CG2 VAL A 61 19.622 -8.377 7.574 1.00 1.00 C ATOM 0 H VAL A 61 18.286 -8.831 5.517 1.00 1.00 H new ATOM 0 HA VAL A 61 16.173 -7.964 7.244 1.00 1.00 H new ATOM 0 HB VAL A 61 17.979 -8.174 8.964 1.00 1.00 H new ATOM 0 HG11 VAL A 61 18.415 -10.613 8.597 1.00 1.00 H new ATOM 0 HG12 VAL A 61 16.729 -10.196 8.207 1.00 1.00 H new ATOM 0 HG13 VAL A 61 17.911 -10.441 6.899 1.00 1.00 H new ATOM 0 HG21 VAL A 61 20.248 -8.935 8.270 1.00 1.00 H new ATOM 0 HG22 VAL A 61 19.786 -8.747 6.562 1.00 1.00 H new ATOM 0 HG23 VAL A 61 19.882 -7.319 7.620 1.00 1.00 H new ATOM 909 N GLY A 62 16.647 -5.592 7.888 1.00 1.00 N ATOM 910 CA GLY A 62 16.788 -4.153 8.075 1.00 1.00 C ATOM 911 C GLY A 62 16.416 -3.419 6.799 1.00 1.00 C ATOM 912 O GLY A 62 16.701 -2.230 6.656 1.00 1.00 O ATOM 0 H GLY A 62 15.878 -6.011 8.411 1.00 1.00 H new ATOM 0 HA2 GLY A 62 16.149 -3.821 8.893 1.00 1.00 H new ATOM 0 HA3 GLY A 62 17.814 -3.914 8.355 1.00 1.00 H new ATOM 916 N GLY A 63 15.767 -4.123 5.878 1.00 1.00 N ATOM 917 CA GLY A 63 15.335 -3.564 4.589 1.00 1.00 C ATOM 918 C GLY A 63 13.820 -3.458 4.540 1.00 1.00 C ATOM 919 O GLY A 63 13.133 -3.594 5.553 1.00 1.00 O ATOM 0 H GLY A 63 15.521 -5.105 6.000 1.00 1.00 H new ATOM 0 HA2 GLY A 63 15.780 -2.579 4.445 1.00 1.00 H new ATOM 0 HA3 GLY A 63 15.688 -4.196 3.774 1.00 1.00 H new ATOM 923 N THR A 64 13.300 -3.209 3.342 1.00 1.00 N ATOM 924 CA THR A 64 11.849 -3.076 3.135 1.00 1.00 C ATOM 925 C THR A 64 11.461 -3.611 1.763 1.00 1.00 C ATOM 926 O THR A 64 12.243 -3.562 0.814 1.00 1.00 O ATOM 927 CB THR A 64 11.430 -1.591 3.226 1.00 1.00 C ATOM 928 OG1 THR A 64 11.969 -0.894 2.112 1.00 1.00 O ATOM 929 CG2 THR A 64 11.960 -0.942 4.525 1.00 1.00 C ATOM 0 H THR A 64 13.856 -3.094 2.495 1.00 1.00 H new ATOM 0 HA THR A 64 11.341 -3.650 3.910 1.00 1.00 H new ATOM 0 HB THR A 64 10.341 -1.536 3.229 1.00 1.00 H new ATOM 0 HG1 THR A 64 11.708 0.049 2.159 1.00 1.00 H new ATOM 0 HG21 THR A 64 11.650 0.102 4.563 1.00 1.00 H new ATOM 0 HG22 THR A 64 11.556 -1.472 5.388 1.00 1.00 H new ATOM 0 HG23 THR A 64 13.048 -0.999 4.542 1.00 1.00 H new ATOM 937 N GLY A 65 10.231 -4.103 1.663 1.00 1.00 N ATOM 938 CA GLY A 65 9.712 -4.643 0.399 1.00 1.00 C ATOM 939 C GLY A 65 8.880 -3.594 -0.312 1.00 1.00 C ATOM 940 O GLY A 65 8.282 -2.724 0.322 1.00 1.00 O ATOM 0 H GLY A 65 9.570 -4.142 2.439 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.539 -4.956 -0.239 1.00 1.00 H new ATOM 0 HA3 GLY A 65 9.107 -5.528 0.594 1.00 1.00 H new ATOM 944 N LEU A 66 8.835 -3.684 -1.637 1.00 1.00 N ATOM 945 CA LEU A 66 8.052 -2.716 -2.449 1.00 1.00 C ATOM 946 C LEU A 66 7.213 -3.462 -3.495 1.00 1.00 C ATOM 947 O LEU A 66 7.735 -4.123 -4.392 1.00 1.00 O ATOM 948 CB LEU A 66 9.022 -1.685 -3.133 1.00 1.00 C ATOM 949 CG LEU A 66 8.405 -0.253 -3.167 1.00 1.00 C ATOM 950 CD1 LEU A 66 9.402 0.735 -3.790 1.00 1.00 C ATOM 951 CD2 LEU A 66 7.071 -0.248 -3.957 1.00 1.00 C ATOM 0 H LEU A 66 9.318 -4.400 -2.179 1.00 1.00 H new ATOM 0 HA LEU A 66 7.371 -2.167 -1.799 1.00 1.00 H new ATOM 0 HB2 LEU A 66 9.969 -1.661 -2.593 1.00 1.00 H new ATOM 0 HB3 LEU A 66 9.243 -2.011 -4.149 1.00 1.00 H new ATOM 0 HG LEU A 66 8.194 0.058 -2.144 1.00 1.00 H new ATOM 0 HD11 LEU A 66 8.962 1.732 -3.809 1.00 1.00 H new ATOM 0 HD12 LEU A 66 10.316 0.753 -3.196 1.00 1.00 H new ATOM 0 HD13 LEU A 66 9.637 0.422 -4.807 1.00 1.00 H new ATOM 0 HD21 LEU A 66 6.658 0.761 -3.968 1.00 1.00 H new ATOM 0 HD22 LEU A 66 7.253 -0.577 -4.980 1.00 1.00 H new ATOM 0 HD23 LEU A 66 6.363 -0.925 -3.479 1.00 1.00 H new ATOM 963 N ALA A 67 5.898 -3.338 -3.357 1.00 1.00 N ATOM 964 CA ALA A 67 4.941 -3.979 -4.272 1.00 1.00 C ATOM 965 C ALA A 67 4.325 -2.930 -5.196 1.00 1.00 C ATOM 966 O ALA A 67 4.267 -1.741 -4.885 1.00 1.00 O ATOM 967 CB ALA A 67 3.849 -4.673 -3.447 1.00 1.00 C ATOM 0 H ALA A 67 5.460 -2.794 -2.614 1.00 1.00 H new ATOM 0 HA ALA A 67 5.454 -4.720 -4.885 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.135 -5.151 -4.118 1.00 1.00 H new ATOM 0 HB2 ALA A 67 4.303 -5.427 -2.803 1.00 1.00 H new ATOM 0 HB3 ALA A 67 3.332 -3.935 -2.833 1.00 1.00 H new ATOM 973 N ARG A 68 3.858 -3.401 -6.346 1.00 1.00 N ATOM 974 CA ARG A 68 3.224 -2.507 -7.348 1.00 1.00 C ATOM 975 C ARG A 68 1.832 -3.029 -7.706 1.00 1.00 C ATOM 976 O ARG A 68 1.659 -4.170 -8.137 1.00 1.00 O ATOM 977 CB ARG A 68 4.104 -2.416 -8.617 1.00 1.00 C ATOM 978 CG ARG A 68 3.536 -1.364 -9.608 1.00 1.00 C ATOM 979 CD ARG A 68 4.430 -1.264 -10.854 1.00 1.00 C ATOM 980 NE ARG A 68 4.418 -2.540 -11.572 1.00 1.00 N ATOM 981 CZ ARG A 68 5.153 -2.744 -12.669 1.00 1.00 C ATOM 982 NH1 ARG A 68 5.917 -1.796 -13.148 1.00 1.00 N ATOM 983 NH2 ARG A 68 5.106 -3.902 -13.268 1.00 1.00 N ATOM 0 H ARG A 68 3.898 -4.383 -6.620 1.00 1.00 H new ATOM 0 HA ARG A 68 3.128 -1.509 -6.920 1.00 1.00 H new ATOM 0 HB2 ARG A 68 5.123 -2.148 -8.340 1.00 1.00 H new ATOM 0 HB3 ARG A 68 4.152 -3.391 -9.102 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.523 -1.640 -9.901 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.472 -0.392 -9.119 1.00 1.00 H new ATOM 0 HD2 ARG A 68 4.075 -0.465 -11.505 1.00 1.00 H new ATOM 0 HD3 ARG A 68 5.449 -1.009 -10.563 1.00 1.00 H new ATOM 0 HE ARG A 68 3.830 -3.297 -11.224 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.956 -0.889 -12.683 1.00 1.00 H new ATOM 0 HH12 ARG A 68 6.473 -1.964 -13.986 1.00 1.00 H new ATOM 0 HH21 ARG A 68 4.511 -4.644 -12.898 1.00 1.00 H new ATOM 0 HH22 ARG A 68 5.664 -4.066 -14.106 1.00 1.00 H new ATOM 997 N VAL A 69 0.839 -2.162 -7.532 1.00 1.00 N ATOM 998 CA VAL A 69 -0.562 -2.505 -7.837 1.00 1.00 C ATOM 999 C VAL A 69 -1.236 -1.323 -8.537 1.00 1.00 C ATOM 1000 O VAL A 69 -1.031 -0.160 -8.187 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.327 -2.871 -6.532 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -2.758 -3.369 -6.864 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -0.552 -3.979 -5.768 1.00 1.00 C ATOM 0 H VAL A 69 0.970 -1.213 -7.181 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.583 -3.371 -8.498 1.00 1.00 H new ATOM 0 HB VAL A 69 -1.403 -1.981 -5.908 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.279 -3.621 -5.940 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.304 -2.584 -7.387 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.697 -4.253 -7.499 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -1.089 -4.234 -4.854 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.467 -4.864 -6.398 1.00 1.00 H new ATOM 0 HG23 VAL A 69 0.444 -3.617 -5.514 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.063 -1.645 -9.527 1.00 1.00 N ATOM 1014 CA GLN A 70 -2.793 -0.619 -10.300 1.00 1.00 C ATOM 1015 C GLN A 70 -4.266 -0.620 -9.895 1.00 1.00 C ATOM 1016 O GLN A 70 -4.870 -1.674 -9.694 1.00 1.00 O ATOM 1017 CB GLN A 70 -2.661 -0.916 -11.812 1.00 1.00 C ATOM 1018 CG GLN A 70 -1.178 -0.815 -12.242 1.00 1.00 C ATOM 1019 CD GLN A 70 -1.026 -1.090 -13.740 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -2.017 -1.227 -14.463 1.00 1.00 O ATOM 1021 NE2 GLN A 70 0.171 -1.178 -14.252 1.00 1.00 N ATOM 0 H GLN A 70 -2.251 -2.604 -9.820 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.367 0.362 -10.090 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.045 -1.913 -12.030 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -3.263 -0.210 -12.384 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -0.794 0.178 -12.009 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -0.581 -1.529 -11.674 1.00 1.00 H new ATOM 0 HE21 GLN A 70 0.990 -1.065 -13.655 1.00 1.00 H new ATOM 0 HE22 GLN A 70 0.287 -1.360 -15.249 1.00 1.00 H new ATOM 1030 N TRP A 71 -4.839 0.575 -9.795 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.256 0.735 -9.422 1.00 1.00 C ATOM 1032 C TRP A 71 -6.882 1.876 -10.233 1.00 1.00 C ATOM 1033 O TRP A 71 -6.319 2.961 -10.373 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.387 1.023 -7.904 1.00 1.00 C ATOM 1035 CG TRP A 71 -7.846 1.132 -7.524 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -8.771 0.153 -7.688 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.555 2.269 -6.947 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -10.000 0.624 -7.263 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -9.918 1.922 -6.797 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -8.151 3.555 -6.549 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -10.848 2.820 -6.270 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -9.083 4.463 -6.016 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -10.431 4.098 -5.882 1.00 1.00 C ATOM 0 H TRP A 71 -4.350 1.454 -9.966 1.00 1.00 H new ATOM 0 HA TRP A 71 -6.785 -0.192 -9.644 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -5.912 0.226 -7.332 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -5.867 1.948 -7.655 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.579 -0.833 -8.085 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -10.862 0.079 -7.290 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -7.117 3.848 -6.653 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -11.883 2.530 -6.162 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -8.760 5.446 -5.708 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -11.145 4.802 -5.480 1.00 1.00 H new ATOM 1054 N LYS A 72 -8.071 1.604 -10.759 1.00 1.00 N ATOM 1055 CA LYS A 72 -8.817 2.590 -11.566 1.00 1.00 C ATOM 1056 C LYS A 72 -9.930 3.214 -10.729 1.00 1.00 C ATOM 1057 O LYS A 72 -10.751 2.507 -10.145 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.406 1.913 -12.825 1.00 1.00 C ATOM 1059 CG LYS A 72 -10.014 2.972 -13.785 1.00 1.00 C ATOM 1060 CD LYS A 72 -10.605 2.301 -15.053 1.00 1.00 C ATOM 1061 CE LYS A 72 -9.513 1.555 -15.887 1.00 1.00 C ATOM 1062 NZ LYS A 72 -9.379 0.161 -15.382 1.00 1.00 N ATOM 0 H LYS A 72 -8.548 0.710 -10.646 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.133 3.377 -11.883 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.626 1.352 -13.341 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -10.174 1.196 -12.533 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -10.794 3.531 -13.268 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.246 3.690 -14.074 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -11.382 1.595 -14.760 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -11.081 3.059 -15.675 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -9.786 1.548 -16.942 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -8.559 2.076 -15.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -8.406 0.004 -15.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -10.042 0.012 -14.595 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -9.595 -0.508 -16.148 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.964 4.543 -10.692 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.989 5.248 -9.926 1.00 1.00 C ATOM 1078 C ALA A 73 -12.346 5.064 -10.610 1.00 1.00 C ATOM 1079 O ALA A 73 -12.449 5.075 -11.836 1.00 1.00 O ATOM 1080 CB ALA A 73 -10.636 6.745 -9.840 1.00 1.00 C ATOM 0 H ALA A 73 -9.302 5.149 -11.177 1.00 1.00 H new ATOM 0 HA ALA A 73 -11.038 4.841 -8.916 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -11.403 7.267 -9.268 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.671 6.864 -9.347 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -10.584 7.165 -10.845 1.00 1.00 H new ATOM 1086 N THR A 74 -13.387 4.906 -9.797 1.00 1.00 N ATOM 1087 CA THR A 74 -14.765 4.711 -10.313 1.00 1.00 C ATOM 1088 C THR A 74 -15.671 5.838 -9.833 1.00 1.00 C ATOM 1089 O THR A 74 -15.600 6.263 -8.681 1.00 1.00 O ATOM 1090 CB THR A 74 -15.323 3.355 -9.827 1.00 1.00 C ATOM 1091 OG1 THR A 74 -15.443 3.368 -8.414 1.00 1.00 O ATOM 1092 CG2 THR A 74 -14.374 2.219 -10.243 1.00 1.00 C ATOM 0 H THR A 74 -13.317 4.907 -8.779 1.00 1.00 H new ATOM 0 HA THR A 74 -14.734 4.719 -11.403 1.00 1.00 H new ATOM 0 HB THR A 74 -16.302 3.193 -10.277 1.00 1.00 H new ATOM 0 HG1 THR A 74 -15.799 2.508 -8.108 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.774 1.266 -9.897 1.00 1.00 H new ATOM 0 HG22 THR A 74 -14.282 2.201 -11.329 1.00 1.00 H new ATOM 0 HG23 THR A 74 -13.393 2.384 -9.798 1.00 1.00 H new ATOM 1254 N GLY A 85 -12.720 12.662 -0.557 1.00 1.00 N ATOM 1255 CA GLY A 85 -12.132 11.875 0.531 1.00 1.00 C ATOM 1256 C GLY A 85 -11.965 10.420 0.107 1.00 1.00 C ATOM 1257 O GLY A 85 -12.778 9.554 0.433 1.00 1.00 O ATOM 0 HA2 GLY A 85 -11.164 12.293 0.808 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -12.768 11.932 1.414 1.00 1.00 H new ATOM 1261 N VAL A 86 -10.878 10.157 -0.611 1.00 1.00 N ATOM 1262 CA VAL A 86 -10.554 8.797 -1.099 1.00 1.00 C ATOM 1263 C VAL A 86 -9.200 8.370 -0.502 1.00 1.00 C ATOM 1264 O VAL A 86 -8.247 8.167 -1.255 1.00 1.00 O ATOM 1265 CB VAL A 86 -10.521 8.790 -2.663 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -11.964 8.865 -3.229 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -9.701 9.993 -3.197 1.00 1.00 C ATOM 0 H VAL A 86 -10.194 10.866 -0.876 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.316 8.085 -0.783 1.00 1.00 H new ATOM 0 HB VAL A 86 -10.049 7.863 -2.988 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -11.928 8.859 -4.318 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -12.537 8.006 -2.880 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -12.442 9.783 -2.886 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -9.690 9.971 -4.287 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -10.157 10.923 -2.858 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -8.679 9.932 -2.822 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.110 8.205 0.791 1.00 1.00 N ATOM 1278 CA PRO A 87 -7.836 7.771 1.453 1.00 1.00 C ATOM 1279 C PRO A 87 -7.459 6.360 1.033 1.00 1.00 C ATOM 1280 O PRO A 87 -8.144 5.712 0.243 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.165 7.850 2.973 1.00 1.00 C ATOM 1282 CG PRO A 87 -9.644 7.608 3.008 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.179 8.411 1.818 1.00 1.00 C ATOM 0 HA PRO A 87 -6.981 8.390 1.181 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -7.619 7.099 3.544 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -7.904 8.822 3.393 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -9.877 6.548 2.911 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.082 7.946 3.947 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.146 8.040 1.479 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -10.310 9.465 2.064 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.343 5.888 1.581 1.00 1.00 N ATOM 1292 CA VAL A 88 -5.839 4.531 1.279 1.00 1.00 C ATOM 1293 C VAL A 88 -5.325 3.862 2.557 1.00 1.00 C ATOM 1294 O VAL A 88 -4.967 4.524 3.532 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.712 4.614 0.211 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -5.287 5.128 -1.136 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -3.599 5.571 0.691 1.00 1.00 C ATOM 0 H VAL A 88 -5.765 6.415 2.236 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.654 3.926 0.881 1.00 1.00 H new ATOM 0 HB VAL A 88 -4.296 3.617 0.067 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -4.488 5.182 -1.876 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -6.060 4.444 -1.486 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -5.717 6.119 -0.993 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -2.814 5.623 -0.063 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -4.017 6.565 0.849 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -3.180 5.201 1.627 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.284 2.535 2.530 1.00 1.00 N ATOM 1308 CA TYR A 89 -4.812 1.740 3.677 1.00 1.00 C ATOM 1309 C TYR A 89 -4.118 0.474 3.182 1.00 1.00 C ATOM 1310 O TYR A 89 -4.501 -0.123 2.176 1.00 1.00 O ATOM 1311 CB TYR A 89 -6.005 1.358 4.580 1.00 1.00 C ATOM 1312 CG TYR A 89 -6.685 2.641 5.076 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -6.165 3.329 6.192 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -7.821 3.153 4.418 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -6.778 4.505 6.640 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -8.423 4.331 4.872 1.00 1.00 C ATOM 1317 CZ TYR A 89 -7.902 5.007 5.981 1.00 1.00 C ATOM 1318 OH TYR A 89 -8.498 6.172 6.422 1.00 1.00 O ATOM 0 H TYR A 89 -5.572 1.977 1.726 1.00 1.00 H new ATOM 0 HA TYR A 89 -4.104 2.336 4.252 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -6.716 0.745 4.026 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -5.662 0.762 5.426 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.292 2.948 6.702 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -8.227 2.635 3.562 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -6.380 5.026 7.498 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -9.293 4.720 4.365 1.00 1.00 H new ATOM 0 HH TYR A 89 -9.267 6.382 5.852 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.094 0.061 3.924 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.325 -1.146 3.578 1.00 1.00 C ATOM 1330 C ALA A 90 -1.940 -1.903 4.844 1.00 1.00 C ATOM 1331 O ALA A 90 -1.618 -1.306 5.871 1.00 1.00 O ATOM 1332 CB ALA A 90 -1.059 -0.745 2.802 1.00 1.00 C ATOM 0 H ALA A 90 -2.773 0.538 4.767 1.00 1.00 H new ATOM 0 HA ALA A 90 -2.940 -1.795 2.955 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.490 -1.639 2.546 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.342 -0.222 1.889 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -0.446 -0.089 3.420 1.00 1.00 H new ATOM 1338 N VAL A 91 -1.975 -3.229 4.759 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.628 -4.104 5.898 1.00 1.00 C ATOM 1340 C VAL A 91 -0.658 -5.201 5.443 1.00 1.00 C ATOM 1341 O VAL A 91 -0.830 -5.820 4.394 1.00 1.00 O ATOM 1342 CB VAL A 91 -2.919 -4.738 6.487 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.590 -5.580 7.752 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -3.910 -3.613 6.862 1.00 1.00 C ATOM 0 H VAL A 91 -2.240 -3.733 3.913 1.00 1.00 H new ATOM 0 HA VAL A 91 -1.142 -3.508 6.671 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.362 -5.395 5.738 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.508 -6.015 8.148 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -1.895 -6.377 7.488 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -2.136 -4.939 8.508 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -4.818 -4.051 7.276 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.453 -2.958 7.603 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -4.159 -3.036 5.972 1.00 1.00 H new ATOM 1354 N VAL A 92 0.357 -5.438 6.267 1.00 1.00 N ATOM 1355 CA VAL A 92 1.368 -6.469 5.977 1.00 1.00 C ATOM 1356 C VAL A 92 0.947 -7.792 6.607 1.00 1.00 C ATOM 1357 O VAL A 92 0.485 -7.821 7.748 1.00 1.00 O ATOM 1358 CB VAL A 92 2.750 -6.010 6.528 1.00 1.00 C ATOM 1359 CG1 VAL A 92 2.723 -5.856 8.073 1.00 1.00 C ATOM 1360 CG2 VAL A 92 3.858 -7.018 6.123 1.00 1.00 C ATOM 0 H VAL A 92 0.508 -4.935 7.142 1.00 1.00 H new ATOM 0 HA VAL A 92 1.452 -6.611 4.900 1.00 1.00 H new ATOM 0 HB VAL A 92 2.970 -5.036 6.090 1.00 1.00 H new ATOM 0 HG11 VAL A 92 3.704 -5.535 8.424 1.00 1.00 H new ATOM 0 HG12 VAL A 92 1.976 -5.112 8.352 1.00 1.00 H new ATOM 0 HG13 VAL A 92 2.470 -6.813 8.530 1.00 1.00 H new ATOM 0 HG21 VAL A 92 4.817 -6.682 6.516 1.00 1.00 H new ATOM 0 HG22 VAL A 92 3.623 -8.001 6.531 1.00 1.00 H new ATOM 0 HG23 VAL A 92 3.913 -7.081 5.036 1.00 1.00 H new ATOM 1370 N ASP A 93 1.133 -8.884 5.873 1.00 1.00 N ATOM 1371 CA ASP A 93 0.760 -10.210 6.372 1.00 1.00 C ATOM 1372 C ASP A 93 1.331 -10.455 7.801 1.00 1.00 C ATOM 1373 O ASP A 93 2.509 -10.163 8.009 1.00 1.00 O ATOM 1374 CB ASP A 93 1.285 -11.280 5.404 1.00 1.00 C ATOM 1375 CG ASP A 93 0.954 -12.696 5.895 1.00 1.00 C ATOM 1376 OD1 ASP A 93 1.732 -13.222 6.673 1.00 1.00 O ATOM 1377 OD2 ASP A 93 -0.064 -13.228 5.482 1.00 1.00 O ATOM 0 H ASP A 93 1.537 -8.882 4.936 1.00 1.00 H new ATOM 0 HA ASP A 93 -0.327 -10.268 6.433 1.00 1.00 H new ATOM 0 HB2 ASP A 93 0.848 -11.125 4.417 1.00 1.00 H new ATOM 0 HB3 ASP A 93 2.364 -11.175 5.295 1.00 1.00 H new ATOM 1542 N ASN A 105 0.504 -0.976 14.910 1.00 1.00 N ATOM 1543 CA ASN A 105 1.733 -0.145 14.932 1.00 1.00 C ATOM 1544 C ASN A 105 2.203 0.128 13.496 1.00 1.00 C ATOM 1545 O ASN A 105 2.720 1.211 13.219 1.00 1.00 O ATOM 1546 CB ASN A 105 2.865 -0.848 15.721 1.00 1.00 C ATOM 1547 CG ASN A 105 2.486 -0.988 17.199 1.00 1.00 C ATOM 1548 OD1 ASN A 105 1.657 -0.229 17.705 1.00 1.00 O ATOM 1549 ND2 ASN A 105 3.037 -1.930 17.918 1.00 1.00 N ATOM 0 HA ASN A 105 1.498 0.797 15.428 1.00 1.00 H new ATOM 0 HB2 ASN A 105 3.056 -1.833 15.294 1.00 1.00 H new ATOM 0 HB3 ASN A 105 3.789 -0.276 15.629 1.00 1.00 H new ATOM 0 HD21 ASN A 105 2.781 -2.038 18.899 1.00 1.00 H new ATOM 0 HD22 ASN A 105 3.723 -2.557 17.498 1.00 1.00 H new ATOM 1556 N ASN A 106 2.032 -0.842 12.603 1.00 1.00 N ATOM 1557 CA ASN A 106 2.451 -0.713 11.186 1.00 1.00 C ATOM 1558 C ASN A 106 1.287 -0.208 10.318 1.00 1.00 C ATOM 1559 O ASN A 106 1.004 -0.747 9.249 1.00 1.00 O ATOM 1560 CB ASN A 106 2.941 -2.088 10.672 1.00 1.00 C ATOM 1561 CG ASN A 106 1.834 -3.137 10.792 1.00 1.00 C ATOM 1562 OD1 ASN A 106 1.750 -3.841 11.798 1.00 1.00 O ATOM 1563 ND2 ASN A 106 0.974 -3.280 9.819 1.00 1.00 N ATOM 0 H ASN A 106 1.603 -1.740 12.826 1.00 1.00 H new ATOM 0 HA ASN A 106 3.262 0.013 11.120 1.00 1.00 H new ATOM 0 HB2 ASN A 106 3.256 -2.002 9.632 1.00 1.00 H new ATOM 0 HB3 ASN A 106 3.813 -2.406 11.244 1.00 1.00 H new ATOM 0 HD21 ASN A 106 0.232 -3.976 9.893 1.00 1.00 H new ATOM 0 HD22 ASN A 106 1.045 -2.696 8.986 1.00 1.00 H new ATOM 1570 N VAL A 107 0.626 0.841 10.798 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.519 1.443 10.072 1.00 1.00 C ATOM 1572 C VAL A 107 -0.052 2.691 9.336 1.00 1.00 C ATOM 1573 O VAL A 107 0.679 3.524 9.873 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.662 1.803 11.064 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -2.880 2.418 10.312 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -2.106 0.516 11.793 1.00 1.00 C ATOM 0 H VAL A 107 0.852 1.299 11.681 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.904 0.721 9.352 1.00 1.00 H new ATOM 0 HB VAL A 107 -1.294 2.540 11.777 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -3.665 2.661 11.028 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -2.568 3.325 9.794 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -3.261 1.699 9.586 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -2.908 0.752 12.493 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.464 -0.211 11.063 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -1.260 0.097 12.338 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.494 2.812 8.088 1.00 1.00 N ATOM 1587 CA PHE A 108 -0.130 3.959 7.251 1.00 1.00 C ATOM 1588 C PHE A 108 -1.303 4.339 6.350 1.00 1.00 C ATOM 1589 O PHE A 108 -2.062 3.486 5.890 1.00 1.00 O ATOM 1590 CB PHE A 108 1.109 3.601 6.396 1.00 1.00 C ATOM 1591 CG PHE A 108 2.248 3.133 7.315 1.00 1.00 C ATOM 1592 CD1 PHE A 108 2.823 4.035 8.232 1.00 1.00 C ATOM 1593 CD2 PHE A 108 2.733 1.803 7.262 1.00 1.00 C ATOM 1594 CE1 PHE A 108 3.856 3.618 9.083 1.00 1.00 C ATOM 1595 CE2 PHE A 108 3.768 1.395 8.116 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.327 2.302 9.026 1.00 1.00 C ATOM 0 H PHE A 108 -1.104 2.134 7.631 1.00 1.00 H new ATOM 0 HA PHE A 108 0.110 4.811 7.887 1.00 1.00 H new ATOM 0 HB2 PHE A 108 0.857 2.816 5.683 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.427 4.468 5.817 1.00 1.00 H new ATOM 0 HD1 PHE A 108 2.466 5.053 8.280 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.304 1.101 6.562 1.00 1.00 H new ATOM 0 HE1 PHE A 108 4.290 4.315 9.785 1.00 1.00 H new ATOM 0 HE2 PHE A 108 4.135 0.380 8.072 1.00 1.00 H new ATOM 0 HZ PHE A 108 5.122 1.985 9.684 1.00 1.00 H new ATOM 1606 N SER A 109 -1.426 5.636 6.090 1.00 1.00 N ATOM 1607 CA SER A 109 -2.499 6.146 5.235 1.00 1.00 C ATOM 1608 C SER A 109 -2.164 7.561 4.774 1.00 1.00 C ATOM 1609 O SER A 109 -1.492 8.319 5.472 1.00 1.00 O ATOM 1610 CB SER A 109 -3.826 6.143 6.007 1.00 1.00 C ATOM 1611 OG SER A 109 -4.864 6.614 5.158 1.00 1.00 O ATOM 0 H SER A 109 -0.800 6.353 6.456 1.00 1.00 H new ATOM 0 HA SER A 109 -2.597 5.503 4.361 1.00 1.00 H new ATOM 0 HB2 SER A 109 -4.055 5.136 6.356 1.00 1.00 H new ATOM 0 HB3 SER A 109 -3.747 6.776 6.891 1.00 1.00 H new ATOM 0 HG SER A 109 -4.992 5.984 4.418 1.00 1.00 H new ATOM 1617 N ARG A 110 -2.650 7.910 3.588 1.00 1.00 N ATOM 1618 CA ARG A 110 -2.405 9.252 3.022 1.00 1.00 C ATOM 1619 C ARG A 110 -3.625 9.716 2.222 1.00 1.00 C ATOM 1620 O ARG A 110 -4.164 8.983 1.394 1.00 1.00 O ATOM 1621 CB ARG A 110 -1.148 9.209 2.122 1.00 1.00 C ATOM 1622 CG ARG A 110 -0.790 10.629 1.616 1.00 1.00 C ATOM 1623 CD ARG A 110 0.456 10.582 0.718 1.00 1.00 C ATOM 1624 NE ARG A 110 0.833 11.949 0.331 1.00 1.00 N ATOM 1625 CZ ARG A 110 0.115 12.666 -0.549 1.00 1.00 C ATOM 1626 NH1 ARG A 110 -0.939 12.149 -1.123 1.00 1.00 N ATOM 1627 NH2 ARG A 110 0.474 13.888 -0.837 1.00 1.00 N ATOM 0 H ARG A 110 -3.211 7.297 2.997 1.00 1.00 H new ATOM 0 HA ARG A 110 -2.237 9.963 3.831 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -0.309 8.794 2.680 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -1.324 8.548 1.273 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -1.630 11.046 1.061 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -0.609 11.289 2.464 1.00 1.00 H new ATOM 0 HD2 ARG A 110 1.280 10.102 1.246 1.00 1.00 H new ATOM 0 HD3 ARG A 110 0.255 9.984 -0.170 1.00 1.00 H new ATOM 0 HE ARG A 110 1.667 12.367 0.744 1.00 1.00 H new ATOM 0 HH11 ARG A 110 -1.222 11.194 -0.904 1.00 1.00 H new ATOM 0 HH12 ARG A 110 -1.479 12.701 -1.790 1.00 1.00 H new ATOM 0 HH21 ARG A 110 1.298 14.295 -0.394 1.00 1.00 H new ATOM 0 HH22 ARG A 110 -0.069 14.435 -1.505 1.00 1.00 H new ATOM 1641 N ILE A 111 -4.040 10.954 2.474 1.00 1.00 N ATOM 1642 CA ILE A 111 -5.191 11.529 1.774 1.00 1.00 C ATOM 1643 C ILE A 111 -4.726 12.077 0.417 1.00 1.00 C ATOM 1644 O ILE A 111 -3.906 12.992 0.346 1.00 1.00 O ATOM 1645 CB ILE A 111 -5.834 12.664 2.636 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -6.446 12.065 3.950 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -6.968 13.399 1.841 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -5.380 11.434 4.875 1.00 1.00 C ATOM 0 H ILE A 111 -3.602 11.577 3.152 1.00 1.00 H new ATOM 0 HA ILE A 111 -5.946 10.760 1.612 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.049 13.379 2.883 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -6.971 12.852 4.492 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -7.187 11.309 3.689 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.399 14.184 2.463 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -6.550 13.841 0.937 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -7.745 12.684 1.570 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -5.862 11.036 5.768 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -4.872 10.627 4.347 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -4.653 12.193 5.163 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.282 11.520 -0.654 1.00 1.00 N ATOM 1661 CA VAL A 112 -4.937 11.953 -2.024 1.00 1.00 C ATOM 1662 C VAL A 112 -5.978 12.965 -2.512 1.00 1.00 C ATOM 1663 O VAL A 112 -7.108 12.599 -2.836 1.00 1.00 O ATOM 1664 CB VAL A 112 -4.891 10.721 -2.982 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -4.291 11.127 -4.353 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -4.017 9.608 -2.351 1.00 1.00 C ATOM 0 H VAL A 112 -5.972 10.770 -0.611 1.00 1.00 H new ATOM 0 HA VAL A 112 -3.953 12.422 -2.018 1.00 1.00 H new ATOM 0 HB VAL A 112 -5.906 10.355 -3.133 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -4.265 10.258 -5.011 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -4.907 11.905 -4.804 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -3.278 11.504 -4.210 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -3.985 8.748 -3.020 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -3.006 9.984 -2.195 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -4.445 9.308 -1.394 1.00 1.00 H new ATOM 1676 N LYS A 113 -5.581 14.233 -2.577 1.00 1.00 N ATOM 1677 CA LYS A 113 -6.483 15.298 -3.034 1.00 1.00 C ATOM 1678 C LYS A 113 -6.432 15.389 -4.559 1.00 1.00 C ATOM 1679 O LYS A 113 -5.370 15.602 -5.145 1.00 1.00 O ATOM 1680 CB LYS A 113 -6.053 16.646 -2.410 1.00 1.00 C ATOM 1681 CG LYS A 113 -6.194 16.580 -0.869 1.00 1.00 C ATOM 1682 CD LYS A 113 -5.772 17.924 -0.235 1.00 1.00 C ATOM 1683 CE LYS A 113 -5.895 17.845 1.298 1.00 1.00 C ATOM 1684 NZ LYS A 113 -7.306 17.535 1.668 1.00 1.00 N ATOM 0 H LYS A 113 -4.646 14.552 -2.321 1.00 1.00 H new ATOM 0 HA LYS A 113 -7.503 15.071 -2.722 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -5.021 16.870 -2.681 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -6.669 17.453 -2.806 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -7.225 16.351 -0.601 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -5.576 15.774 -0.474 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -4.745 18.161 -0.514 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -6.400 18.729 -0.617 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -5.228 17.076 1.688 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -5.589 18.790 1.747 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -7.469 17.793 2.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -7.952 18.078 1.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -7.483 16.518 1.541 1.00 1.00 H new ATOM 1698 N VAL A 114 -7.591 15.234 -5.192 1.00 1.00 N ATOM 1699 CA VAL A 114 -7.691 15.294 -6.668 1.00 1.00 C ATOM 1700 C VAL A 114 -8.798 16.269 -7.076 1.00 1.00 C ATOM 1701 O VAL A 114 -9.899 16.261 -6.529 1.00 1.00 O ATOM 1702 CB VAL A 114 -7.974 13.876 -7.243 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -7.928 13.897 -8.789 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -6.921 12.880 -6.701 1.00 1.00 C ATOM 0 H VAL A 114 -8.478 15.066 -4.718 1.00 1.00 H new ATOM 0 HA VAL A 114 -6.745 15.650 -7.076 1.00 1.00 H new ATOM 0 HB VAL A 114 -8.970 13.562 -6.931 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -8.128 12.897 -9.173 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -8.682 14.588 -9.166 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -6.941 14.221 -9.119 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -7.119 11.887 -7.103 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -5.925 13.203 -7.004 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -6.976 12.848 -5.613 1.00 1.00 H new ATOM 1714 N LEU A 115 -8.484 17.108 -8.059 1.00 1.00 N ATOM 1715 CA LEU A 115 -9.438 18.099 -8.568 1.00 1.00 C ATOM 1716 C LEU A 115 -9.195 18.339 -10.053 1.00 1.00 C ATOM 1717 O LEU A 115 -8.301 17.760 -10.671 1.00 1.00 O ATOM 1718 CB LEU A 115 -9.289 19.434 -7.777 1.00 1.00 C ATOM 1719 CG LEU A 115 -7.772 19.911 -7.724 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -7.667 21.442 -7.926 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -7.127 19.528 -6.364 1.00 1.00 C ATOM 0 H LEU A 115 -7.575 17.124 -8.522 1.00 1.00 H new ATOM 0 HA LEU A 115 -10.451 17.720 -8.434 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -9.899 20.206 -8.246 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -9.666 19.302 -6.763 1.00 1.00 H new ATOM 0 HG LEU A 115 -7.239 19.409 -8.531 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -6.620 21.743 -7.886 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -8.085 21.710 -8.896 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -8.222 21.952 -7.138 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -6.090 19.862 -6.346 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -7.676 20.006 -5.553 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -7.162 18.446 -6.237 1.00 1.00 H new