USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS : no HD1:sc= -2.24 K(o=-1.1,f=0.56) USER MOD Set 1.2: A 69 THR OG1 : rot -2:sc= 1.13 USER MOD Single : A 1 SER OG : rot -16:sc= 1.09 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.554 K(o=-0.55,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -140:sc= -0.289 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 20 MET CE :methyl -168:sc= -0.072 (180deg=-0.368) USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.742 USER MOD Single : A 29 ASN : amide:sc= -6.49! C(o=-6.5!,f=-19!) USER MOD Single : A 31 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.4) USER MOD Single : A 33 HIS : no HD1:sc= -2.99! K(o=-3!,f=-0.26) USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 0.153 (180deg=0) USER MOD Single : A 41 SER OG : rot 140:sc= -0.158 USER MOD Single : A 43 MET CE :methyl -154:sc= -1.07 (180deg=-3.49) USER MOD Single : A 44 THR OG1 : rot 120:sc= 0.342 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.184 K(o=0.18,f=-12!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 13.953 7.445 -4.522 1.00 0.00 C HETATM 2 O ACE A 0 14.560 7.546 -5.589 1.00 0.00 O HETATM 3 CH3 ACE A 0 14.534 6.648 -3.376 1.00 0.00 C HETATM 0 H1 ACE A 0 14.670 7.299 -2.512 1.00 0.00 H new HETATM 0 H2 ACE A 0 13.854 5.837 -3.115 1.00 0.00 H new HETATM 0 H3 ACE A 0 15.497 6.233 -3.673 1.00 0.00 H new ATOM 7 N SER A 1 12.756 7.982 -4.282 1.00 0.00 N ATOM 8 CA SER A 1 11.964 8.789 -5.268 1.00 0.00 C ATOM 9 C SER A 1 11.355 7.945 -6.441 1.00 0.00 C ATOM 10 O SER A 1 10.240 7.434 -6.329 1.00 0.00 O ATOM 11 CB SER A 1 12.651 10.134 -5.653 1.00 0.00 C ATOM 12 OG SER A 1 13.831 9.930 -6.434 1.00 0.00 O ATOM 0 H SER A 1 12.283 7.878 -3.385 1.00 0.00 H new ATOM 0 HA SER A 1 11.066 9.119 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.949 10.752 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.907 10.683 -4.747 1.00 0.00 H new ATOM 0 HG SER A 1 14.112 8.994 -6.363 1.00 0.00 H new ATOM 18 N ARG A 2 12.100 7.754 -7.543 1.00 0.00 N ATOM 19 CA ARG A 2 11.783 6.817 -8.619 1.00 0.00 C ATOM 20 C ARG A 2 12.652 5.574 -8.513 1.00 0.00 C ATOM 21 O ARG A 2 13.305 5.167 -9.473 1.00 0.00 O ATOM 22 CB ARG A 2 11.976 7.481 -9.985 1.00 0.00 C ATOM 23 CG ARG A 2 13.275 8.259 -10.106 1.00 0.00 C ATOM 24 CD ARG A 2 13.391 8.944 -11.459 1.00 0.00 C ATOM 25 NE ARG A 2 14.777 9.257 -11.798 1.00 0.00 N ATOM 26 CZ ARG A 2 15.193 9.533 -13.031 1.00 0.00 C ATOM 27 NH1 ARG A 2 14.335 9.537 -14.043 1.00 0.00 N ATOM 28 NH2 ARG A 2 16.473 9.801 -13.252 1.00 0.00 N ATOM 0 H ARG A 2 12.966 8.267 -7.709 1.00 0.00 H new ATOM 0 HA ARG A 2 10.738 6.523 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.948 6.714 -10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.140 8.155 -10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.328 9.005 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.119 7.584 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.966 8.300 -12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.804 9.862 -11.452 1.00 0.00 H new ATOM 0 HE ARG A 2 15.466 9.264 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.350 9.328 -13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.660 9.749 -14.986 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.136 9.795 -12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 2 16.794 10.013 -14.197 1.00 0.00 H new ATOM 42 N ARG A 3 12.642 4.979 -7.330 1.00 0.00 N ATOM 43 CA ARG A 3 13.417 3.772 -7.059 1.00 0.00 C ATOM 44 C ARG A 3 12.767 2.968 -5.943 1.00 0.00 C ATOM 45 O ARG A 3 13.139 3.094 -4.776 1.00 0.00 O ATOM 46 CB ARG A 3 14.850 4.128 -6.663 1.00 0.00 C ATOM 47 CG ARG A 3 15.671 4.718 -7.797 1.00 0.00 C ATOM 48 CD ARG A 3 16.995 5.268 -7.294 1.00 0.00 C ATOM 49 NE ARG A 3 17.654 6.100 -8.299 1.00 0.00 N ATOM 50 CZ ARG A 3 18.826 5.807 -8.861 1.00 0.00 C ATOM 51 NH1 ARG A 3 19.478 4.699 -8.526 1.00 0.00 N ATOM 52 NH2 ARG A 3 19.347 6.620 -9.767 1.00 0.00 N ATOM 0 H ARG A 3 12.101 5.315 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 3 13.440 3.173 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.823 4.840 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 3 15.348 3.232 -6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.856 3.953 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.105 5.513 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.825 5.854 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 3 17.651 4.442 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 3 17.187 6.959 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 3 19.082 4.064 -7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 3 20.375 4.483 -8.962 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.851 7.470 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.244 6.396 -10.197 1.00 0.00 H new ATOM 66 N CYS A 4 11.790 2.150 -6.304 1.00 0.00 N ATOM 67 CA CYS A 4 11.083 1.339 -5.326 1.00 0.00 C ATOM 68 C CYS A 4 11.024 -0.115 -5.756 1.00 0.00 C ATOM 69 O CYS A 4 10.903 -0.420 -6.943 1.00 0.00 O ATOM 70 CB CYS A 4 9.676 1.899 -5.102 1.00 0.00 C ATOM 71 SG CYS A 4 9.629 3.713 -4.920 1.00 0.00 S ATOM 0 H CYS A 4 11.470 2.031 -7.265 1.00 0.00 H new ATOM 0 HA CYS A 4 11.631 1.379 -4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 4 9.042 1.610 -5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.251 1.442 -4.209 1.00 0.00 H new ATOM 76 N PRO A 5 11.113 -1.040 -4.788 1.00 0.00 N ATOM 77 CA PRO A 5 11.078 -2.468 -5.075 1.00 0.00 C ATOM 78 C PRO A 5 9.675 -2.959 -5.416 1.00 0.00 C ATOM 79 O PRO A 5 8.723 -2.181 -5.444 1.00 0.00 O ATOM 80 CB PRO A 5 11.564 -3.101 -3.771 1.00 0.00 C ATOM 81 CG PRO A 5 11.163 -2.133 -2.714 1.00 0.00 C ATOM 82 CD PRO A 5 11.257 -0.768 -3.342 1.00 0.00 C ATOM 0 HA PRO A 5 11.685 -2.724 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.107 -4.077 -3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.643 -3.252 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.150 -2.333 -2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.819 -2.209 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.472 -0.105 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.209 -0.288 -3.117 1.00 0.00 H new ATOM 89 N GLY A 6 9.552 -4.260 -5.657 1.00 0.00 N ATOM 90 CA GLY A 6 8.254 -4.830 -5.974 1.00 0.00 C ATOM 91 C GLY A 6 7.735 -4.410 -7.334 1.00 0.00 C ATOM 92 O GLY A 6 8.284 -3.514 -7.974 1.00 0.00 O ATOM 0 H GLY A 6 10.323 -4.928 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.323 -5.917 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.536 -4.531 -5.210 1.00 0.00 H new ATOM 96 N LYS A 7 6.661 -5.061 -7.764 1.00 0.00 N ATOM 97 CA LYS A 7 6.036 -4.770 -9.047 1.00 0.00 C ATOM 98 C LYS A 7 5.388 -3.383 -9.025 1.00 0.00 C ATOM 99 O LYS A 7 4.980 -2.901 -7.966 1.00 0.00 O ATOM 100 CB LYS A 7 5.025 -5.867 -9.367 1.00 0.00 C ATOM 101 CG LYS A 7 4.509 -5.824 -10.790 1.00 0.00 C ATOM 102 CD LYS A 7 3.840 -7.138 -11.177 1.00 0.00 C ATOM 103 CE LYS A 7 4.422 -7.706 -12.460 1.00 0.00 C ATOM 104 NZ LYS A 7 3.373 -7.901 -13.499 1.00 0.00 N ATOM 0 H LYS A 7 6.201 -5.802 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 7 6.790 -4.755 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.487 -6.838 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.182 -5.783 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.797 -5.006 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.334 -5.619 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.963 -7.861 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.769 -6.979 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.191 -7.033 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.908 -8.659 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.806 -8.290 -14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.652 -8.562 -13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.927 -6.987 -13.718 1.00 0.00 H new ATOM 118 N ASN A 8 5.335 -2.723 -10.186 1.00 0.00 N ATOM 119 CA ASN A 8 4.784 -1.369 -10.271 1.00 0.00 C ATOM 120 C ASN A 8 3.456 -1.298 -11.030 1.00 0.00 C ATOM 121 O ASN A 8 2.813 -0.253 -11.051 1.00 0.00 O ATOM 122 CB ASN A 8 5.802 -0.440 -10.937 1.00 0.00 C ATOM 123 CG ASN A 8 7.006 -0.161 -10.054 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.082 0.882 -9.403 1.00 0.00 O ATOM 125 ND2 ASN A 8 7.952 -1.092 -10.026 1.00 0.00 N ATOM 0 H ASN A 8 5.665 -3.102 -11.074 1.00 0.00 H new ATOM 0 HA ASN A 8 4.580 -1.051 -9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.138 -0.887 -11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.316 0.502 -11.191 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.783 -0.958 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.848 -1.941 -10.581 1.00 0.00 H new ATOM 132 N ALA A 9 3.047 -2.391 -11.656 1.00 0.00 N ATOM 133 CA ALA A 9 1.795 -2.408 -12.409 1.00 0.00 C ATOM 134 C ALA A 9 1.305 -3.836 -12.596 1.00 0.00 C ATOM 135 O ALA A 9 2.020 -4.684 -13.128 1.00 0.00 O ATOM 136 CB ALA A 9 1.982 -1.734 -13.759 1.00 0.00 C ATOM 0 H ALA A 9 3.557 -3.274 -11.660 1.00 0.00 H new ATOM 0 HA ALA A 9 1.044 -1.856 -11.844 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.041 -1.754 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.293 -0.700 -13.609 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.746 -2.264 -14.328 1.00 0.00 H new ATOM 142 N TRP A 10 0.082 -4.097 -12.157 1.00 0.00 N ATOM 143 CA TRP A 10 -0.500 -5.429 -12.276 1.00 0.00 C ATOM 144 C TRP A 10 -1.622 -5.450 -13.317 1.00 0.00 C ATOM 145 O TRP A 10 -2.800 -5.517 -12.970 1.00 0.00 O ATOM 146 CB TRP A 10 -1.031 -5.890 -10.913 1.00 0.00 C ATOM 147 CG TRP A 10 0.051 -6.095 -9.891 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.603 -7.283 -9.517 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.709 -5.086 -9.113 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.565 -7.075 -8.558 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.650 -5.735 -8.295 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.596 -3.698 -9.030 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.474 -5.041 -7.407 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.409 -3.011 -8.148 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.339 -3.684 -7.349 1.00 0.00 C ATOM 0 H TRP A 10 -0.526 -3.407 -11.716 1.00 0.00 H new ATOM 0 HA TRP A 10 0.279 -6.115 -12.608 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.740 -5.151 -10.538 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.581 -6.822 -11.042 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.325 -8.247 -9.916 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.125 -7.802 -8.114 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.116 -3.168 -9.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.192 -5.559 -6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.325 -1.937 -8.075 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.963 -3.119 -6.673 1.00 0.00 H new ATOM 166 N PRO A 11 -1.271 -5.406 -14.616 1.00 0.00 N ATOM 167 CA PRO A 11 -2.260 -5.430 -15.702 1.00 0.00 C ATOM 168 C PRO A 11 -3.174 -6.650 -15.622 1.00 0.00 C ATOM 169 O PRO A 11 -4.371 -6.567 -15.906 1.00 0.00 O ATOM 170 CB PRO A 11 -1.409 -5.478 -16.981 1.00 0.00 C ATOM 171 CG PRO A 11 -0.041 -5.869 -16.532 1.00 0.00 C ATOM 172 CD PRO A 11 0.105 -5.345 -15.132 1.00 0.00 C ATOM 0 HA PRO A 11 -2.925 -4.568 -15.659 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.810 -6.199 -17.693 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.397 -4.510 -17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.083 -6.952 -16.557 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.720 -5.446 -17.188 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.786 -5.956 -14.540 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.497 -4.328 -15.120 1.00 0.00 H new ATOM 179 N GLU A 12 -2.599 -7.782 -15.230 1.00 0.00 N ATOM 180 CA GLU A 12 -3.350 -9.027 -15.107 1.00 0.00 C ATOM 181 C GLU A 12 -4.441 -8.940 -14.037 1.00 0.00 C ATOM 182 O GLU A 12 -5.252 -9.855 -13.896 1.00 0.00 O ATOM 183 CB GLU A 12 -2.404 -10.183 -14.800 1.00 0.00 C ATOM 184 CG GLU A 12 -1.672 -10.031 -13.484 1.00 0.00 C ATOM 185 CD GLU A 12 -0.217 -9.647 -13.666 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.057 -8.727 -14.465 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.646 -10.263 -13.006 1.00 0.00 O ATOM 0 H GLU A 12 -1.611 -7.863 -14.991 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.844 -9.205 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.972 -11.113 -14.785 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.674 -10.268 -15.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.171 -9.273 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.730 -10.968 -12.930 1.00 0.00 H new ATOM 194 N LEU A 13 -4.470 -7.840 -13.286 1.00 0.00 N ATOM 195 CA LEU A 13 -5.480 -7.666 -12.250 1.00 0.00 C ATOM 196 C LEU A 13 -6.761 -7.082 -12.837 1.00 0.00 C ATOM 197 O LEU A 13 -7.837 -7.219 -12.255 1.00 0.00 O ATOM 198 CB LEU A 13 -4.964 -6.760 -11.126 1.00 0.00 C ATOM 199 CG LEU A 13 -4.048 -7.440 -10.106 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.740 -6.491 -8.957 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.684 -8.720 -9.585 1.00 0.00 C ATOM 0 H LEU A 13 -3.813 -7.065 -13.376 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.698 -8.649 -11.833 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.425 -5.925 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.820 -6.341 -10.598 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.113 -7.700 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.088 -6.988 -8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.243 -5.601 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.669 -6.203 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.018 -9.189 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.634 -8.485 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.857 -9.405 -10.415 1.00 0.00 H new ATOM 213 N VAL A 14 -6.646 -6.435 -13.999 1.00 0.00 N ATOM 214 CA VAL A 14 -7.807 -5.838 -14.654 1.00 0.00 C ATOM 215 C VAL A 14 -8.889 -6.887 -14.900 1.00 0.00 C ATOM 216 O VAL A 14 -8.700 -7.814 -15.687 1.00 0.00 O ATOM 217 CB VAL A 14 -7.425 -5.184 -15.997 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.626 -4.483 -16.618 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.272 -4.210 -15.809 1.00 0.00 C ATOM 0 H VAL A 14 -5.767 -6.313 -14.501 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.190 -5.068 -13.985 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.102 -5.970 -16.679 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.333 -4.029 -17.565 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.420 -5.209 -16.794 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.986 -3.709 -15.940 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.017 -3.759 -16.768 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.566 -3.429 -15.107 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.406 -4.743 -15.417 1.00 0.00 H new ATOM 229 N GLY A 15 -10.014 -6.742 -14.210 1.00 0.00 N ATOM 230 CA GLY A 15 -11.102 -7.687 -14.355 1.00 0.00 C ATOM 231 C GLY A 15 -11.319 -8.506 -13.097 1.00 0.00 C ATOM 232 O GLY A 15 -12.318 -9.216 -12.976 1.00 0.00 O ATOM 0 H GLY A 15 -10.191 -5.984 -13.551 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.018 -7.149 -14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.892 -8.355 -15.190 1.00 0.00 H new ATOM 236 N LYS A 16 -10.382 -8.408 -12.157 1.00 0.00 N ATOM 237 CA LYS A 16 -10.481 -9.145 -10.905 1.00 0.00 C ATOM 238 C LYS A 16 -11.041 -8.260 -9.794 1.00 0.00 C ATOM 239 O LYS A 16 -10.974 -7.033 -9.868 1.00 0.00 O ATOM 240 CB LYS A 16 -9.110 -9.687 -10.504 1.00 0.00 C ATOM 241 CG LYS A 16 -9.156 -10.642 -9.328 1.00 0.00 C ATOM 242 CD LYS A 16 -9.929 -11.909 -9.661 1.00 0.00 C ATOM 243 CE LYS A 16 -8.999 -13.091 -9.878 1.00 0.00 C ATOM 244 NZ LYS A 16 -9.391 -13.895 -11.070 1.00 0.00 N ATOM 0 H LYS A 16 -9.548 -7.826 -12.240 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.165 -9.980 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.666 -10.197 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.456 -8.851 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.140 -10.903 -9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.620 -10.147 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.623 -12.135 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.527 -11.746 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.978 -12.731 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.007 -13.727 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.732 -14.692 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.356 -14.260 -10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.359 -13.295 -11.919 1.00 0.00 H new ATOM 258 N SER A 17 -11.598 -8.894 -8.766 1.00 0.00 N ATOM 259 CA SER A 17 -12.175 -8.167 -7.640 1.00 0.00 C ATOM 260 C SER A 17 -11.151 -7.239 -6.997 1.00 0.00 C ATOM 261 O SER A 17 -9.978 -7.590 -6.861 1.00 0.00 O ATOM 262 CB SER A 17 -12.703 -9.145 -6.590 1.00 0.00 C ATOM 263 OG SER A 17 -11.651 -9.620 -5.766 1.00 0.00 O ATOM 0 H SER A 17 -11.662 -9.909 -8.690 1.00 0.00 H new ATOM 0 HA SER A 17 -12.998 -7.564 -8.024 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.457 -8.653 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.192 -9.985 -7.083 1.00 0.00 H new ATOM 0 HG SER A 17 -11.782 -10.575 -5.587 1.00 0.00 H new ATOM 269 N GLY A 18 -11.606 -6.060 -6.586 1.00 0.00 N ATOM 270 CA GLY A 18 -10.719 -5.103 -5.950 1.00 0.00 C ATOM 271 C GLY A 18 -9.970 -5.700 -4.773 1.00 0.00 C ATOM 272 O GLY A 18 -8.854 -5.285 -4.468 1.00 0.00 O ATOM 0 H GLY A 18 -12.573 -5.750 -6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.002 -4.733 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.299 -4.245 -5.610 1.00 0.00 H new ATOM 276 N ASN A 19 -10.584 -6.681 -4.113 1.00 0.00 N ATOM 277 CA ASN A 19 -9.958 -7.332 -2.967 1.00 0.00 C ATOM 278 C ASN A 19 -8.816 -8.231 -3.422 1.00 0.00 C ATOM 279 O ASN A 19 -7.731 -8.217 -2.840 1.00 0.00 O ATOM 280 CB ASN A 19 -10.985 -8.148 -2.178 1.00 0.00 C ATOM 281 CG ASN A 19 -10.632 -8.250 -0.706 1.00 0.00 C ATOM 282 OD1 ASN A 19 -10.452 -7.236 -0.030 1.00 0.00 O ATOM 283 ND2 ASN A 19 -10.533 -9.474 -0.202 1.00 0.00 N ATOM 0 H ASN A 19 -11.509 -7.040 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.557 -6.556 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.968 -7.689 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.054 -9.149 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.299 -9.603 0.783 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.691 -10.286 -0.799 1.00 0.00 H new ATOM 290 N MET A 20 -9.066 -9.011 -4.471 1.00 0.00 N ATOM 291 CA MET A 20 -8.048 -9.905 -5.004 1.00 0.00 C ATOM 292 C MET A 20 -6.896 -9.091 -5.573 1.00 0.00 C ATOM 293 O MET A 20 -5.728 -9.444 -5.410 1.00 0.00 O ATOM 294 CB MET A 20 -8.638 -10.811 -6.085 1.00 0.00 C ATOM 295 CG MET A 20 -8.189 -12.258 -5.978 1.00 0.00 C ATOM 296 SD MET A 20 -9.370 -13.287 -5.084 1.00 0.00 S ATOM 297 CE MET A 20 -8.966 -12.870 -3.390 1.00 0.00 C ATOM 0 H MET A 20 -9.959 -9.041 -4.964 1.00 0.00 H new ATOM 0 HA MET A 20 -7.677 -10.535 -4.195 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.726 -10.772 -6.026 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.357 -10.424 -7.065 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.044 -12.664 -6.979 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.223 -12.298 -5.474 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.455 -13.573 -2.716 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.886 -12.924 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.310 -11.859 -3.172 1.00 0.00 H new ATOM 307 N ALA A 21 -7.237 -7.983 -6.226 1.00 0.00 N ATOM 308 CA ALA A 21 -6.237 -7.101 -6.802 1.00 0.00 C ATOM 309 C ALA A 21 -5.337 -6.547 -5.706 1.00 0.00 C ATOM 310 O ALA A 21 -4.126 -6.758 -5.719 1.00 0.00 O ATOM 311 CB ALA A 21 -6.907 -5.968 -7.564 1.00 0.00 C ATOM 0 H ALA A 21 -8.200 -7.678 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.626 -7.671 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.145 -5.315 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.520 -6.381 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.537 -5.395 -6.884 1.00 0.00 H new ATOM 317 N ALA A 22 -5.946 -5.861 -4.738 1.00 0.00 N ATOM 318 CA ALA A 22 -5.200 -5.299 -3.618 1.00 0.00 C ATOM 319 C ALA A 22 -4.352 -6.374 -2.960 1.00 0.00 C ATOM 320 O ALA A 22 -3.219 -6.127 -2.552 1.00 0.00 O ATOM 321 CB ALA A 22 -6.148 -4.682 -2.599 1.00 0.00 C ATOM 0 H ALA A 22 -6.950 -5.683 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.544 -4.516 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.573 -4.268 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.725 -3.888 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.826 -5.448 -2.223 1.00 0.00 H new ATOM 327 N ALA A 23 -4.912 -7.575 -2.862 1.00 0.00 N ATOM 328 CA ALA A 23 -4.205 -8.692 -2.263 1.00 0.00 C ATOM 329 C ALA A 23 -2.969 -9.032 -3.081 1.00 0.00 C ATOM 330 O ALA A 23 -1.884 -9.212 -2.536 1.00 0.00 O ATOM 331 CB ALA A 23 -5.121 -9.900 -2.148 1.00 0.00 C ATOM 0 H ALA A 23 -5.852 -7.796 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.888 -8.407 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.575 -10.729 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.979 -9.648 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.467 -10.190 -3.140 1.00 0.00 H new ATOM 337 N THR A 24 -3.145 -9.101 -4.398 1.00 0.00 N ATOM 338 CA THR A 24 -2.046 -9.411 -5.305 1.00 0.00 C ATOM 339 C THR A 24 -0.936 -8.374 -5.183 1.00 0.00 C ATOM 340 O THR A 24 0.243 -8.716 -5.165 1.00 0.00 O ATOM 341 CB THR A 24 -2.553 -9.466 -6.747 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.729 -10.251 -6.836 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.543 -10.045 -7.714 1.00 0.00 C ATOM 0 H THR A 24 -4.041 -8.946 -4.861 1.00 0.00 H new ATOM 0 HA THR A 24 -1.641 -10.385 -5.031 1.00 0.00 H new ATOM 0 HB THR A 24 -2.747 -8.430 -7.024 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.508 -9.699 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.966 -10.055 -8.719 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.640 -9.434 -7.706 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.295 -11.063 -7.414 1.00 0.00 H new ATOM 351 N VAL A 25 -1.325 -7.107 -5.096 1.00 0.00 N ATOM 352 CA VAL A 25 -0.364 -6.020 -4.973 1.00 0.00 C ATOM 353 C VAL A 25 0.392 -6.101 -3.652 1.00 0.00 C ATOM 354 O VAL A 25 1.622 -6.060 -3.625 1.00 0.00 O ATOM 355 CB VAL A 25 -1.058 -4.643 -5.087 1.00 0.00 C ATOM 356 CG1 VAL A 25 -0.048 -3.513 -4.986 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.847 -4.544 -6.385 1.00 0.00 C ATOM 0 H VAL A 25 -2.300 -6.808 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 25 0.346 -6.125 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.754 -4.548 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.563 -2.556 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.464 -3.567 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.681 -3.604 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.327 -3.567 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.172 -4.669 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.607 -5.324 -6.409 1.00 0.00 H new ATOM 367 N GLU A 26 -0.348 -6.209 -2.558 1.00 0.00 N ATOM 368 CA GLU A 26 0.257 -6.282 -1.234 1.00 0.00 C ATOM 369 C GLU A 26 1.055 -7.573 -1.046 1.00 0.00 C ATOM 370 O GLU A 26 2.016 -7.606 -0.277 1.00 0.00 O ATOM 371 CB GLU A 26 -0.821 -6.165 -0.156 1.00 0.00 C ATOM 372 CG GLU A 26 -1.828 -5.056 -0.430 1.00 0.00 C ATOM 373 CD GLU A 26 -1.746 -3.917 0.569 1.00 0.00 C ATOM 374 OE1 GLU A 26 -0.918 -3.997 1.500 1.00 0.00 O ATOM 375 OE2 GLU A 26 -2.508 -2.940 0.414 1.00 0.00 O ATOM 0 H GLU A 26 -1.367 -6.248 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 26 0.952 -5.448 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.350 -7.115 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.344 -5.983 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.663 -4.664 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.834 -5.475 -0.413 1.00 0.00 H new ATOM 382 N ARG A 27 0.657 -8.638 -1.744 1.00 0.00 N ATOM 383 CA ARG A 27 1.350 -9.921 -1.634 1.00 0.00 C ATOM 384 C ARG A 27 2.584 -9.962 -2.532 1.00 0.00 C ATOM 385 O ARG A 27 3.683 -10.270 -2.075 1.00 0.00 O ATOM 386 CB ARG A 27 0.406 -11.077 -1.980 1.00 0.00 C ATOM 387 CG ARG A 27 -0.067 -11.853 -0.761 1.00 0.00 C ATOM 388 CD ARG A 27 -1.573 -11.754 -0.580 1.00 0.00 C ATOM 389 NE ARG A 27 -2.293 -12.625 -1.509 1.00 0.00 N ATOM 390 CZ ARG A 27 -3.283 -13.442 -1.154 1.00 0.00 C ATOM 391 NH1 ARG A 27 -3.687 -13.511 0.111 1.00 0.00 N ATOM 392 NH2 ARG A 27 -3.876 -14.194 -2.071 1.00 0.00 N ATOM 0 H ARG A 27 -0.135 -8.638 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 27 1.678 -10.033 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.461 -10.683 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.913 -11.759 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.219 -12.900 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.432 -11.471 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.834 -12.021 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.890 -10.722 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.019 -12.605 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.238 -12.934 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.446 -14.141 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.574 -14.145 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.635 -14.821 -1.804 1.00 0.00 H new ATOM 406 N GLU A 28 2.399 -9.644 -3.810 1.00 0.00 N ATOM 407 CA GLU A 28 3.508 -9.643 -4.757 1.00 0.00 C ATOM 408 C GLU A 28 4.493 -8.531 -4.419 1.00 0.00 C ATOM 409 O GLU A 28 5.696 -8.663 -4.636 1.00 0.00 O ATOM 410 CB GLU A 28 2.994 -9.476 -6.189 1.00 0.00 C ATOM 411 CG GLU A 28 2.425 -10.757 -6.778 1.00 0.00 C ATOM 412 CD GLU A 28 2.027 -10.606 -8.234 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.404 -9.590 -8.852 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.339 -11.509 -8.756 1.00 0.00 O ATOM 0 H GLU A 28 1.498 -9.385 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 28 4.022 -10.601 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.224 -8.705 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.809 -9.125 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.164 -11.553 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.555 -11.064 -6.198 1.00 0.00 H new ATOM 421 N ASN A 29 3.972 -7.438 -3.871 1.00 0.00 N ATOM 422 CA ASN A 29 4.802 -6.302 -3.491 1.00 0.00 C ATOM 423 C ASN A 29 4.570 -5.933 -2.030 1.00 0.00 C ATOM 424 O ASN A 29 3.887 -4.955 -1.721 1.00 0.00 O ATOM 425 CB ASN A 29 4.506 -5.106 -4.395 1.00 0.00 C ATOM 426 CG ASN A 29 5.423 -3.934 -4.110 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.932 -3.790 -2.995 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.646 -3.095 -5.118 1.00 0.00 N ATOM 0 H ASN A 29 2.978 -7.316 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 29 5.848 -6.582 -3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.614 -5.405 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.470 -4.796 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.260 -2.292 -4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.203 -3.255 -6.022 1.00 0.00 H new ATOM 435 N ARG A 30 5.155 -6.723 -1.137 1.00 0.00 N ATOM 436 CA ARG A 30 5.028 -6.499 0.298 1.00 0.00 C ATOM 437 C ARG A 30 5.650 -5.170 0.733 1.00 0.00 C ATOM 438 O ARG A 30 5.654 -4.849 1.921 1.00 0.00 O ATOM 439 CB ARG A 30 5.681 -7.648 1.069 1.00 0.00 C ATOM 440 CG ARG A 30 5.043 -7.911 2.424 1.00 0.00 C ATOM 441 CD ARG A 30 6.061 -7.847 3.554 1.00 0.00 C ATOM 442 NE ARG A 30 5.707 -6.839 4.548 1.00 0.00 N ATOM 443 CZ ARG A 30 6.147 -6.845 5.803 1.00 0.00 C ATOM 444 NH1 ARG A 30 6.963 -7.803 6.224 1.00 0.00 N ATOM 445 NH2 ARG A 30 5.771 -5.887 6.641 1.00 0.00 N ATOM 0 H ARG A 30 5.726 -7.531 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 30 3.963 -6.457 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.625 -8.556 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.738 -7.424 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.256 -7.178 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.569 -8.893 2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.131 -8.823 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.045 -7.622 3.144 1.00 0.00 H new ATOM 0 HE ARG A 30 5.084 -6.084 4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.257 -8.541 5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.297 -7.802 7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.145 -5.147 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.108 -5.891 7.604 1.00 0.00 H new ATOM 459 N ASN A 31 6.172 -4.398 -0.218 1.00 0.00 N ATOM 460 CA ASN A 31 6.783 -3.115 0.103 1.00 0.00 C ATOM 461 C ASN A 31 5.793 -1.969 -0.074 1.00 0.00 C ATOM 462 O ASN A 31 6.048 -0.849 0.369 1.00 0.00 O ATOM 463 CB ASN A 31 8.007 -2.878 -0.779 1.00 0.00 C ATOM 464 CG ASN A 31 8.727 -1.587 -0.438 1.00 0.00 C ATOM 465 OD1 ASN A 31 9.380 -1.484 0.600 1.00 0.00 O ATOM 466 ND2 ASN A 31 8.614 -0.597 -1.315 1.00 0.00 N ATOM 0 H ASN A 31 6.183 -4.638 -1.209 1.00 0.00 H new ATOM 0 HA ASN A 31 7.089 -3.145 1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.697 -3.715 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.699 -2.853 -1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.079 0.294 -1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.062 -0.727 -2.163 1.00 0.00 H new ATOM 473 N VAL A 32 4.674 -2.242 -0.743 1.00 0.00 N ATOM 474 CA VAL A 32 3.673 -1.214 -0.992 1.00 0.00 C ATOM 475 C VAL A 32 2.260 -1.712 -0.691 1.00 0.00 C ATOM 476 O VAL A 32 2.046 -2.908 -0.488 1.00 0.00 O ATOM 477 CB VAL A 32 3.766 -0.724 -2.451 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.215 -0.391 -2.797 1.00 0.00 C ATOM 479 CG2 VAL A 32 3.213 -1.768 -3.413 1.00 0.00 C ATOM 0 H VAL A 32 4.441 -3.161 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 32 3.879 -0.382 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 32 3.162 0.178 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.272 -0.046 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.577 0.393 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.832 -1.282 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.290 -1.398 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.785 -2.691 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.167 -1.963 -3.176 1.00 0.00 H new ATOM 489 N HIS A 33 1.299 -0.789 -0.654 1.00 0.00 N ATOM 490 CA HIS A 33 -0.088 -1.150 -0.369 1.00 0.00 C ATOM 491 C HIS A 33 -1.037 -0.565 -1.416 1.00 0.00 C ATOM 492 O HIS A 33 -0.857 0.565 -1.875 1.00 0.00 O ATOM 493 CB HIS A 33 -0.476 -0.704 1.051 1.00 0.00 C ATOM 494 CG HIS A 33 -1.276 0.566 1.131 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.623 0.586 1.423 1.00 0.00 N ATOM 496 CD2 HIS A 33 -0.908 1.861 0.983 1.00 0.00 C ATOM 497 CE1 HIS A 33 -3.049 1.837 1.452 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.028 2.629 1.187 1.00 0.00 N ATOM 0 H HIS A 33 1.454 0.206 -0.816 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.178 -2.235 -0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.048 -1.504 1.521 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.435 -0.577 1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.082 2.222 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.060 2.156 1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.064 3.647 1.141 1.00 0.00 H new ATOM 507 N ALA A 34 -2.039 -1.353 -1.802 1.00 0.00 N ATOM 508 CA ALA A 34 -3.008 -0.921 -2.799 1.00 0.00 C ATOM 509 C ALA A 34 -4.342 -0.560 -2.157 1.00 0.00 C ATOM 510 O ALA A 34 -4.853 -1.289 -1.307 1.00 0.00 O ATOM 511 CB ALA A 34 -3.199 -2.003 -3.852 1.00 0.00 C ATOM 0 H ALA A 34 -2.198 -2.292 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.618 -0.024 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.926 -1.667 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.247 -2.204 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.561 -2.914 -3.376 1.00 0.00 H new ATOM 517 N ILE A 35 -4.902 0.571 -2.578 1.00 0.00 N ATOM 518 CA ILE A 35 -6.181 1.043 -2.055 1.00 0.00 C ATOM 519 C ILE A 35 -7.308 0.757 -3.036 1.00 0.00 C ATOM 520 O ILE A 35 -7.327 1.284 -4.150 1.00 0.00 O ATOM 521 CB ILE A 35 -6.153 2.554 -1.770 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.912 2.925 -0.960 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.419 2.981 -1.037 1.00 0.00 C ATOM 524 CD1 ILE A 35 -4.776 4.412 -0.713 1.00 0.00 C ATOM 0 H ILE A 35 -4.488 1.180 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.356 0.506 -1.123 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.111 3.084 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.945 2.407 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.025 2.569 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.383 4.053 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.290 2.752 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.491 2.443 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.874 4.603 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.711 4.935 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.645 4.770 -0.161 1.00 0.00 H new ATOM 536 N VAL A 36 -8.253 -0.073 -2.621 1.00 0.00 N ATOM 537 CA VAL A 36 -9.378 -0.418 -3.466 1.00 0.00 C ATOM 538 C VAL A 36 -10.477 0.635 -3.374 1.00 0.00 C ATOM 539 O VAL A 36 -11.031 0.881 -2.303 1.00 0.00 O ATOM 540 CB VAL A 36 -9.950 -1.792 -3.075 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.060 -2.209 -4.026 1.00 0.00 C ATOM 542 CG2 VAL A 36 -8.847 -2.838 -3.034 1.00 0.00 C ATOM 0 H VAL A 36 -8.260 -0.518 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.016 -0.459 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.379 -1.711 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.447 -3.183 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.863 -1.473 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.666 -2.270 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.271 -3.803 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.382 -2.916 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.096 -2.546 -2.300 1.00 0.00 H new ATOM 552 N LEU A 37 -10.779 1.256 -4.507 1.00 0.00 N ATOM 553 CA LEU A 37 -11.805 2.288 -4.574 1.00 0.00 C ATOM 554 C LEU A 37 -12.557 2.193 -5.892 1.00 0.00 C ATOM 555 O LEU A 37 -12.042 1.652 -6.865 1.00 0.00 O ATOM 556 CB LEU A 37 -11.175 3.668 -4.442 1.00 0.00 C ATOM 557 CG LEU A 37 -9.932 3.886 -5.302 1.00 0.00 C ATOM 558 CD1 LEU A 37 -10.325 4.412 -6.677 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.964 4.830 -4.609 1.00 0.00 C ATOM 0 H LEU A 37 -10.324 1.061 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.504 2.136 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.919 4.419 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.911 3.834 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.427 2.930 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.429 4.563 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.976 3.690 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.852 5.360 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.084 4.974 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.450 5.791 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.662 4.404 -3.652 1.00 0.00 H new ATOM 571 N LYS A 38 -13.780 2.707 -5.923 1.00 0.00 N ATOM 572 CA LYS A 38 -14.593 2.652 -7.133 1.00 0.00 C ATOM 573 C LYS A 38 -14.396 3.882 -8.018 1.00 0.00 C ATOM 574 O LYS A 38 -13.941 4.933 -7.562 1.00 0.00 O ATOM 575 CB LYS A 38 -16.075 2.504 -6.769 1.00 0.00 C ATOM 576 CG LYS A 38 -16.660 1.140 -7.103 1.00 0.00 C ATOM 577 CD LYS A 38 -17.350 0.511 -5.899 1.00 0.00 C ATOM 578 CE LYS A 38 -18.813 0.212 -6.188 1.00 0.00 C ATOM 579 NZ LYS A 38 -19.377 -0.795 -5.246 1.00 0.00 N ATOM 0 H LYS A 38 -14.229 3.164 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.266 1.782 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.197 2.689 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.646 3.271 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.375 1.241 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.867 0.480 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.837 -0.411 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.277 1.183 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.391 1.134 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.913 -0.153 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.918 -1.505 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.602 -1.263 -4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.005 -0.321 -4.566 1.00 0.00 H new ATOM 593 N GLU A 39 -14.766 3.736 -9.291 1.00 0.00 N ATOM 594 CA GLU A 39 -14.652 4.822 -10.261 1.00 0.00 C ATOM 595 C GLU A 39 -15.306 6.094 -9.731 1.00 0.00 C ATOM 596 O GLU A 39 -16.517 6.137 -9.510 1.00 0.00 O ATOM 597 CB GLU A 39 -15.300 4.419 -11.590 1.00 0.00 C ATOM 598 CG GLU A 39 -14.320 4.355 -12.748 1.00 0.00 C ATOM 599 CD GLU A 39 -14.526 5.476 -13.746 1.00 0.00 C ATOM 600 OE1 GLU A 39 -13.903 6.546 -13.576 1.00 0.00 O ATOM 601 OE2 GLU A 39 -15.311 5.285 -14.698 1.00 0.00 O ATOM 0 H GLU A 39 -15.149 2.872 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.593 5.019 -10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.775 3.445 -11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.089 5.132 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.302 4.400 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.426 3.397 -13.256 1.00 0.00 H new ATOM 608 N GLY A 40 -14.497 7.122 -9.523 1.00 0.00 N ATOM 609 CA GLY A 40 -15.011 8.376 -9.016 1.00 0.00 C ATOM 610 C GLY A 40 -14.455 8.716 -7.647 1.00 0.00 C ATOM 611 O GLY A 40 -14.698 9.807 -7.128 1.00 0.00 O ATOM 0 H GLY A 40 -13.492 7.109 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.764 9.176 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.098 8.325 -8.961 1.00 0.00 H new ATOM 615 N SER A 41 -13.707 7.787 -7.058 1.00 0.00 N ATOM 616 CA SER A 41 -13.119 8.009 -5.743 1.00 0.00 C ATOM 617 C SER A 41 -12.096 9.139 -5.796 1.00 0.00 C ATOM 618 O SER A 41 -11.845 9.719 -6.854 1.00 0.00 O ATOM 619 CB SER A 41 -12.454 6.732 -5.229 1.00 0.00 C ATOM 620 OG SER A 41 -11.894 6.932 -3.943 1.00 0.00 O ATOM 0 H SER A 41 -13.495 6.878 -7.469 1.00 0.00 H new ATOM 0 HA SER A 41 -13.919 8.290 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.188 5.927 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.675 6.419 -5.924 1.00 0.00 H new ATOM 0 HG SER A 41 -12.057 6.140 -3.389 1.00 0.00 H new ATOM 626 N ALA A 42 -11.509 9.445 -4.645 1.00 0.00 N ATOM 627 CA ALA A 42 -10.507 10.499 -4.554 1.00 0.00 C ATOM 628 C ALA A 42 -9.112 9.929 -4.785 1.00 0.00 C ATOM 629 O ALA A 42 -8.431 9.531 -3.839 1.00 0.00 O ATOM 630 CB ALA A 42 -10.583 11.185 -3.197 1.00 0.00 C ATOM 0 H ALA A 42 -11.710 8.977 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.710 11.238 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.829 11.970 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.572 11.623 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.402 10.454 -2.409 1.00 0.00 H new ATOM 636 N MET A 43 -8.694 9.875 -6.046 1.00 0.00 N ATOM 637 CA MET A 43 -7.391 9.345 -6.387 1.00 0.00 C ATOM 638 C MET A 43 -6.484 10.444 -6.891 1.00 0.00 C ATOM 639 O MET A 43 -6.623 10.910 -8.021 1.00 0.00 O ATOM 640 CB MET A 43 -7.508 8.242 -7.441 1.00 0.00 C ATOM 641 CG MET A 43 -8.449 8.568 -8.587 1.00 0.00 C ATOM 642 SD MET A 43 -8.462 7.290 -9.866 1.00 0.00 S ATOM 643 CE MET A 43 -6.719 6.883 -10.014 1.00 0.00 C ATOM 0 H MET A 43 -9.244 10.193 -6.844 1.00 0.00 H new ATOM 0 HA MET A 43 -6.958 8.917 -5.483 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.517 8.038 -7.847 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.849 7.327 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.459 8.696 -8.197 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.156 9.519 -9.032 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.520 6.495 -11.013 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.121 7.779 -9.847 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.457 6.128 -9.272 1.00 0.00 H new ATOM 653 N THR A 44 -5.552 10.855 -6.046 1.00 0.00 N ATOM 654 CA THR A 44 -4.624 11.899 -6.420 1.00 0.00 C ATOM 655 C THR A 44 -3.697 11.404 -7.521 1.00 0.00 C ATOM 656 O THR A 44 -3.465 10.198 -7.657 1.00 0.00 O ATOM 657 CB THR A 44 -3.820 12.377 -5.208 1.00 0.00 C ATOM 658 OG1 THR A 44 -2.853 11.418 -4.827 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.677 12.668 -3.996 1.00 0.00 C ATOM 0 H THR A 44 -5.422 10.483 -5.105 1.00 0.00 H new ATOM 0 HA THR A 44 -5.193 12.748 -6.798 1.00 0.00 H new ATOM 0 HB THR A 44 -3.346 13.304 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.959 11.814 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.044 13.002 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.398 13.449 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.208 11.763 -3.700 1.00 0.00 H new ATOM 667 N LYS A 45 -3.193 12.340 -8.316 1.00 0.00 N ATOM 668 CA LYS A 45 -2.308 12.015 -9.427 1.00 0.00 C ATOM 669 C LYS A 45 -0.879 11.771 -8.951 1.00 0.00 C ATOM 670 O LYS A 45 -0.106 11.072 -9.608 1.00 0.00 O ATOM 671 CB LYS A 45 -2.330 13.139 -10.453 1.00 0.00 C ATOM 672 CG LYS A 45 -3.443 13.008 -11.480 1.00 0.00 C ATOM 673 CD LYS A 45 -4.179 14.326 -11.689 1.00 0.00 C ATOM 674 CE LYS A 45 -5.648 14.213 -11.310 1.00 0.00 C ATOM 675 NZ LYS A 45 -6.524 14.134 -12.512 1.00 0.00 N ATOM 0 H LYS A 45 -3.384 13.336 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.669 11.095 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.438 14.091 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.371 13.165 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.024 12.671 -12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.150 12.245 -11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.707 15.106 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.094 14.629 -12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.797 13.327 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.935 15.074 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.517 14.058 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.400 14.991 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.267 13.298 -13.075 1.00 0.00 H new ATOM 689 N ASP A 46 -0.535 12.357 -7.810 1.00 0.00 N ATOM 690 CA ASP A 46 0.802 12.215 -7.238 1.00 0.00 C ATOM 691 C ASP A 46 1.285 10.768 -7.299 1.00 0.00 C ATOM 692 O ASP A 46 0.517 9.837 -7.061 1.00 0.00 O ATOM 693 CB ASP A 46 0.814 12.705 -5.787 1.00 0.00 C ATOM 694 CG ASP A 46 1.740 13.886 -5.584 1.00 0.00 C ATOM 695 OD1 ASP A 46 1.658 14.848 -6.377 1.00 0.00 O ATOM 696 OD2 ASP A 46 2.550 13.849 -4.635 1.00 0.00 O ATOM 0 H ASP A 46 -1.166 12.938 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 46 1.482 12.826 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.197 12.985 -5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.122 11.889 -5.133 1.00 0.00 H new ATOM 701 N PHE A 47 2.562 10.591 -7.615 1.00 0.00 N ATOM 702 CA PHE A 47 3.147 9.257 -7.710 1.00 0.00 C ATOM 703 C PHE A 47 3.623 8.766 -6.343 1.00 0.00 C ATOM 704 O PHE A 47 4.362 9.460 -5.643 1.00 0.00 O ATOM 705 CB PHE A 47 4.304 9.262 -8.712 1.00 0.00 C ATOM 706 CG PHE A 47 5.132 8.009 -8.687 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.779 6.917 -9.460 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.253 7.920 -7.880 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.530 5.760 -9.430 1.00 0.00 C ATOM 710 CE2 PHE A 47 7.007 6.764 -7.845 1.00 0.00 C ATOM 711 CZ PHE A 47 6.645 5.683 -8.622 1.00 0.00 C ATOM 0 H PHE A 47 3.212 11.352 -7.810 1.00 0.00 H new ATOM 0 HA PHE A 47 2.378 8.569 -8.062 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.903 9.401 -9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.948 10.116 -8.505 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.906 6.971 -10.094 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.541 8.764 -7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.245 4.915 -10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.879 6.706 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.234 4.778 -8.598 1.00 0.00 H new ATOM 721 N ARG A 48 3.189 7.562 -5.976 1.00 0.00 N ATOM 722 CA ARG A 48 3.559 6.959 -4.697 1.00 0.00 C ATOM 723 C ARG A 48 3.696 5.446 -4.839 1.00 0.00 C ATOM 724 O ARG A 48 2.710 4.746 -5.077 1.00 0.00 O ATOM 725 CB ARG A 48 2.515 7.278 -3.625 1.00 0.00 C ATOM 726 CG ARG A 48 2.281 8.765 -3.409 1.00 0.00 C ATOM 727 CD ARG A 48 1.159 9.012 -2.411 1.00 0.00 C ATOM 728 NE ARG A 48 1.348 8.261 -1.171 1.00 0.00 N ATOM 729 CZ ARG A 48 0.471 8.249 -0.169 1.00 0.00 C ATOM 730 NH1 ARG A 48 -0.650 8.958 -0.248 1.00 0.00 N ATOM 731 NH2 ARG A 48 0.718 7.533 0.918 1.00 0.00 N ATOM 0 H ARG A 48 2.577 6.982 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 48 4.518 7.379 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.571 6.809 -3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.829 6.830 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.199 9.231 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.035 9.238 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.105 10.077 -2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.206 8.733 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 48 2.202 7.714 -1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.843 9.516 -1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.318 8.944 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.580 6.991 0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.047 7.523 1.686 1.00 0.00 H new ATOM 745 N CYS A 49 4.920 4.950 -4.700 1.00 0.00 N ATOM 746 CA CYS A 49 5.181 3.520 -4.812 1.00 0.00 C ATOM 747 C CYS A 49 4.386 2.732 -3.784 1.00 0.00 C ATOM 748 O CYS A 49 3.900 1.638 -4.068 1.00 0.00 O ATOM 749 CB CYS A 49 6.668 3.223 -4.608 1.00 0.00 C ATOM 750 SG CYS A 49 7.793 4.234 -5.616 1.00 0.00 S ATOM 0 H CYS A 49 5.747 5.516 -4.510 1.00 0.00 H new ATOM 0 HA CYS A 49 4.876 3.217 -5.814 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.913 3.371 -3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.848 2.172 -4.832 1.00 0.00 H new ATOM 755 N ASP A 50 4.269 3.276 -2.580 1.00 0.00 N ATOM 756 CA ASP A 50 3.558 2.589 -1.512 1.00 0.00 C ATOM 757 C ASP A 50 2.048 2.717 -1.665 1.00 0.00 C ATOM 758 O ASP A 50 1.300 2.176 -0.854 1.00 0.00 O ATOM 759 CB ASP A 50 3.993 3.129 -0.146 1.00 0.00 C ATOM 760 CG ASP A 50 3.723 4.613 0.007 1.00 0.00 C ATOM 761 OD1 ASP A 50 4.016 5.372 -0.940 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.221 5.016 1.078 1.00 0.00 O ATOM 0 H ASP A 50 4.654 4.184 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 50 3.813 1.531 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.468 2.585 0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.058 2.941 -0.007 1.00 0.00 H new ATOM 767 N ARG A 51 1.593 3.412 -2.706 1.00 0.00 N ATOM 768 CA ARG A 51 0.163 3.570 -2.922 1.00 0.00 C ATOM 769 C ARG A 51 -0.240 3.190 -4.337 1.00 0.00 C ATOM 770 O ARG A 51 0.004 3.930 -5.289 1.00 0.00 O ATOM 771 CB ARG A 51 -0.271 5.005 -2.634 1.00 0.00 C ATOM 772 CG ARG A 51 -1.777 5.160 -2.486 1.00 0.00 C ATOM 773 CD ARG A 51 -2.216 6.601 -2.695 1.00 0.00 C ATOM 774 NE ARG A 51 -2.085 7.031 -4.087 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.918 8.301 -4.455 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.874 9.259 -3.540 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.804 8.617 -5.738 1.00 0.00 N ATOM 0 H ARG A 51 2.186 3.867 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.341 2.894 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.214 5.347 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.076 5.651 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.282 4.517 -3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.082 4.827 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.254 6.710 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.620 7.255 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.124 6.319 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.968 9.025 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.746 10.230 -3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.844 7.886 -6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.676 9.591 -6.014 1.00 0.00 H new ATOM 791 N VAL A 52 -0.883 2.039 -4.459 1.00 0.00 N ATOM 792 CA VAL A 52 -1.360 1.563 -5.748 1.00 0.00 C ATOM 793 C VAL A 52 -2.871 1.728 -5.809 1.00 0.00 C ATOM 794 O VAL A 52 -3.590 1.180 -4.975 1.00 0.00 O ATOM 795 CB VAL A 52 -0.996 0.082 -5.978 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.415 -0.365 -7.372 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.496 -0.147 -5.760 1.00 0.00 C ATOM 0 H VAL A 52 -1.087 1.415 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.879 2.151 -6.529 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.541 -0.520 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.149 -1.413 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.493 -0.246 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.904 0.243 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.731 -1.198 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.064 0.468 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.761 0.126 -4.738 1.00 0.00 H new ATOM 807 N TRP A 53 -3.355 2.496 -6.782 1.00 0.00 N ATOM 808 CA TRP A 53 -4.791 2.737 -6.906 1.00 0.00 C ATOM 809 C TRP A 53 -5.482 1.544 -7.546 1.00 0.00 C ATOM 810 O TRP A 53 -5.023 1.017 -8.560 1.00 0.00 O ATOM 811 CB TRP A 53 -5.071 3.986 -7.761 1.00 0.00 C ATOM 812 CG TRP A 53 -4.856 5.310 -7.079 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.279 6.425 -7.619 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.229 5.664 -5.749 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.292 7.453 -6.706 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.852 7.001 -5.542 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.842 4.975 -4.715 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -5.070 7.658 -4.333 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -6.059 5.622 -3.516 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.671 6.952 -3.332 1.00 0.00 C ATOM 0 H TRP A 53 -2.782 2.958 -7.489 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.181 2.893 -5.900 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.435 3.947 -8.646 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.103 3.941 -8.108 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.872 6.489 -8.617 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.942 8.397 -6.869 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.145 3.947 -4.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.774 8.687 -4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.537 5.092 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.850 7.430 -2.380 1.00 0.00 H new ATOM 831 N VAL A 54 -6.586 1.118 -6.941 1.00 0.00 N ATOM 832 CA VAL A 54 -7.344 -0.010 -7.449 1.00 0.00 C ATOM 833 C VAL A 54 -8.789 0.409 -7.712 1.00 0.00 C ATOM 834 O VAL A 54 -9.652 0.293 -6.840 1.00 0.00 O ATOM 835 CB VAL A 54 -7.295 -1.187 -6.455 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.288 -2.285 -6.829 1.00 0.00 C ATOM 837 CG2 VAL A 54 -5.883 -1.746 -6.371 1.00 0.00 C ATOM 0 H VAL A 54 -6.973 1.541 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.897 -0.339 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.584 -0.808 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.223 -3.097 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.299 -1.877 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.052 -2.666 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.862 -2.577 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.572 -2.097 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.202 -0.965 -6.032 1.00 0.00 H new ATOM 847 N ILE A 55 -9.034 0.919 -8.916 1.00 0.00 N ATOM 848 CA ILE A 55 -10.362 1.383 -9.307 1.00 0.00 C ATOM 849 C ILE A 55 -11.264 0.229 -9.712 1.00 0.00 C ATOM 850 O ILE A 55 -10.936 -0.561 -10.597 1.00 0.00 O ATOM 851 CB ILE A 55 -10.280 2.398 -10.465 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.258 3.492 -10.143 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.646 3.009 -10.730 1.00 0.00 C ATOM 854 CD1 ILE A 55 -7.954 3.345 -10.895 1.00 0.00 C ATOM 0 H ILE A 55 -8.325 1.022 -9.642 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.792 1.872 -8.433 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.955 1.874 -11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.694 4.464 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.053 3.482 -9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.572 3.723 -11.550 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.351 2.222 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.996 3.521 -9.833 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.280 4.155 -10.616 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.495 2.388 -10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.146 3.386 -11.967 1.00 0.00 H new ATOM 866 N VAL A 56 -12.407 0.144 -9.045 1.00 0.00 N ATOM 867 CA VAL A 56 -13.369 -0.900 -9.313 1.00 0.00 C ATOM 868 C VAL A 56 -14.717 -0.314 -9.721 1.00 0.00 C ATOM 869 O VAL A 56 -14.993 0.863 -9.489 1.00 0.00 O ATOM 870 CB VAL A 56 -13.553 -1.808 -8.082 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.305 -2.647 -7.844 1.00 0.00 C ATOM 872 CG2 VAL A 56 -13.875 -0.977 -6.850 1.00 0.00 C ATOM 0 H VAL A 56 -12.686 0.794 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.981 -1.496 -10.139 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.389 -2.480 -8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.454 -3.282 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.114 -3.271 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.452 -1.990 -7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.002 -1.635 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.059 -0.281 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.796 -0.419 -7.018 1.00 0.00 H new ATOM 882 N ASN A 57 -15.555 -1.142 -10.333 1.00 0.00 N ATOM 883 CA ASN A 57 -16.869 -0.699 -10.774 1.00 0.00 C ATOM 884 C ASN A 57 -17.922 -0.951 -9.701 1.00 0.00 C ATOM 885 O ASN A 57 -17.595 -1.299 -8.566 1.00 0.00 O ATOM 886 CB ASN A 57 -17.259 -1.403 -12.073 1.00 0.00 C ATOM 887 CG ASN A 57 -17.431 -2.898 -11.897 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.375 -3.414 -10.781 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.641 -3.604 -13.003 1.00 0.00 N ATOM 0 H ASN A 57 -15.348 -2.120 -10.534 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.819 0.375 -10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.189 -0.976 -12.448 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.495 -1.215 -12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.763 -4.615 -12.947 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.680 -3.135 -13.908 1.00 0.00 H new ATOM 896 N ASP A 58 -19.185 -0.765 -10.066 1.00 0.00 N ATOM 897 CA ASP A 58 -20.293 -0.961 -9.137 1.00 0.00 C ATOM 898 C ASP A 58 -20.259 -2.353 -8.510 1.00 0.00 C ATOM 899 O ASP A 58 -20.837 -2.577 -7.446 1.00 0.00 O ATOM 900 CB ASP A 58 -21.625 -0.755 -9.860 1.00 0.00 C ATOM 901 CG ASP A 58 -22.765 -0.467 -8.901 1.00 0.00 C ATOM 902 OD1 ASP A 58 -22.706 0.569 -8.204 1.00 0.00 O ATOM 903 OD2 ASP A 58 -23.715 -1.276 -8.845 1.00 0.00 O ATOM 0 H ASP A 58 -19.469 -0.477 -11.003 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.191 -0.226 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.529 0.071 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.860 -1.645 -10.443 1.00 0.00 H new ATOM 908 N HIS A 59 -19.599 -3.294 -9.182 1.00 0.00 N ATOM 909 CA HIS A 59 -19.516 -4.667 -8.691 1.00 0.00 C ATOM 910 C HIS A 59 -18.175 -4.954 -8.018 1.00 0.00 C ATOM 911 O HIS A 59 -17.764 -6.109 -7.914 1.00 0.00 O ATOM 912 CB HIS A 59 -19.733 -5.646 -9.846 1.00 0.00 C ATOM 913 CG HIS A 59 -21.068 -6.317 -9.812 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.237 -7.639 -9.458 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.304 -5.839 -10.086 1.00 0.00 C ATOM 916 CE1 HIS A 59 -22.522 -7.946 -9.518 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.189 -6.872 -9.895 1.00 0.00 N ATOM 0 H HIS A 59 -19.115 -3.131 -10.065 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.297 -4.796 -7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.627 -5.112 -10.790 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.952 -6.406 -9.820 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.549 -4.834 -10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.952 -8.912 -9.296 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.199 -6.817 -10.024 1.00 0.00 H new ATOM 926 N GLY A 60 -17.498 -3.908 -7.559 1.00 0.00 N ATOM 927 CA GLY A 60 -16.214 -4.094 -6.904 1.00 0.00 C ATOM 928 C GLY A 60 -15.198 -4.783 -7.796 1.00 0.00 C ATOM 929 O GLY A 60 -14.246 -5.389 -7.307 1.00 0.00 O ATOM 0 H GLY A 60 -17.811 -2.940 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.823 -3.124 -6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.355 -4.683 -5.998 1.00 0.00 H new ATOM 933 N VAL A 61 -15.394 -4.675 -9.108 1.00 0.00 N ATOM 934 CA VAL A 61 -14.483 -5.276 -10.074 1.00 0.00 C ATOM 935 C VAL A 61 -13.438 -4.259 -10.507 1.00 0.00 C ATOM 936 O VAL A 61 -13.757 -3.096 -10.716 1.00 0.00 O ATOM 937 CB VAL A 61 -15.239 -5.788 -11.314 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.300 -6.540 -12.243 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.414 -6.665 -10.903 1.00 0.00 C ATOM 0 H VAL A 61 -16.179 -4.175 -9.526 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.997 -6.123 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.632 -4.927 -11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.854 -6.893 -13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.500 -5.875 -12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.871 -7.392 -11.715 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.935 -7.016 -11.794 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -16.048 -7.521 -10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -17.101 -6.087 -10.285 1.00 0.00 H new ATOM 949 N VAL A 62 -12.186 -4.688 -10.624 1.00 0.00 N ATOM 950 CA VAL A 62 -11.115 -3.780 -11.024 1.00 0.00 C ATOM 951 C VAL A 62 -11.164 -3.498 -12.519 1.00 0.00 C ATOM 952 O VAL A 62 -10.923 -4.382 -13.341 1.00 0.00 O ATOM 953 CB VAL A 62 -9.725 -4.334 -10.653 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.636 -3.326 -10.991 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.676 -4.698 -9.180 1.00 0.00 C ATOM 0 H VAL A 62 -11.889 -5.648 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.274 -2.850 -10.478 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.548 -5.236 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.663 -3.737 -10.721 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.656 -3.113 -12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.808 -2.405 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.688 -5.088 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.876 -3.811 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.429 -5.457 -8.968 1.00 0.00 H new ATOM 965 N THR A 63 -11.485 -2.257 -12.863 1.00 0.00 N ATOM 966 CA THR A 63 -11.571 -1.852 -14.258 1.00 0.00 C ATOM 967 C THR A 63 -10.252 -1.262 -14.741 1.00 0.00 C ATOM 968 O THR A 63 -9.884 -1.412 -15.906 1.00 0.00 O ATOM 969 CB THR A 63 -12.688 -0.828 -14.448 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.348 0.403 -13.835 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.017 -1.273 -13.878 1.00 0.00 C ATOM 0 H THR A 63 -11.690 -1.515 -12.194 1.00 0.00 H new ATOM 0 HA THR A 63 -11.792 -2.741 -14.848 1.00 0.00 H new ATOM 0 HB THR A 63 -12.795 -0.717 -15.527 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.075 1.047 -13.969 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.764 -0.498 -14.048 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.332 -2.195 -14.367 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.913 -1.448 -12.807 1.00 0.00 H new ATOM 979 N SER A 64 -9.550 -0.579 -13.846 1.00 0.00 N ATOM 980 CA SER A 64 -8.280 0.043 -14.196 1.00 0.00 C ATOM 981 C SER A 64 -7.095 -0.805 -13.748 1.00 0.00 C ATOM 982 O SER A 64 -7.178 -1.544 -12.768 1.00 0.00 O ATOM 983 CB SER A 64 -8.182 1.437 -13.578 1.00 0.00 C ATOM 984 OG SER A 64 -7.538 2.341 -14.458 1.00 0.00 O ATOM 0 H SER A 64 -9.837 -0.442 -12.877 1.00 0.00 H new ATOM 0 HA SER A 64 -8.245 0.125 -15.282 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.181 1.804 -13.341 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.631 1.384 -12.639 1.00 0.00 H new ATOM 0 HG SER A 64 -7.489 3.226 -14.040 1.00 0.00 H new ATOM 990 N VAL A 65 -5.990 -0.679 -14.477 1.00 0.00 N ATOM 991 CA VAL A 65 -4.768 -1.419 -14.178 1.00 0.00 C ATOM 992 C VAL A 65 -4.151 -0.969 -12.859 1.00 0.00 C ATOM 993 O VAL A 65 -3.522 0.085 -12.798 1.00 0.00 O ATOM 994 CB VAL A 65 -3.721 -1.223 -15.281 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.551 -2.169 -15.084 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.336 -1.400 -16.660 1.00 0.00 C ATOM 0 H VAL A 65 -5.916 -0.064 -15.288 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.051 -2.470 -14.112 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.348 -0.201 -15.213 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.820 -2.013 -15.877 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.085 -1.975 -14.118 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.907 -3.199 -15.115 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.570 -1.255 -17.421 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.749 -2.405 -16.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.131 -0.667 -16.801 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.286 -1.765 -11.784 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.700 -1.417 -10.491 1.00 0.00 C ATOM 1008 C PRO A 66 -2.184 -1.286 -10.587 1.00 0.00 C ATOM 1009 O PRO A 66 -1.463 -2.278 -10.600 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.091 -2.582 -9.577 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.440 -3.703 -10.495 1.00 0.00 C ATOM 1012 CD PRO A 66 -4.975 -3.066 -11.748 1.00 0.00 C ATOM 0 HA PRO A 66 -4.056 -0.455 -10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.269 -2.856 -8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.936 -2.317 -8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.565 -4.315 -10.712 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.184 -4.359 -10.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.752 -3.665 -12.631 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.058 -2.947 -11.709 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.715 -0.050 -10.680 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.294 0.232 -10.792 1.00 0.00 C ATOM 1021 C HIS A 67 0.134 1.288 -9.782 1.00 0.00 C ATOM 1022 O HIS A 67 -0.648 2.163 -9.409 1.00 0.00 O ATOM 1023 CB HIS A 67 0.042 0.706 -12.210 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.612 2.005 -12.581 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -0.263 2.730 -13.702 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -1.599 2.710 -11.975 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -1.004 3.822 -13.766 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -1.822 3.832 -12.731 1.00 0.00 N ATOM 0 H HIS A 67 -2.307 0.781 -10.680 1.00 0.00 H new ATOM 0 HA HIS A 67 0.250 -0.689 -10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.123 0.814 -12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.263 -0.061 -12.922 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.114 2.438 -11.065 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.949 4.578 -14.535 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.509 4.557 -12.526 1.00 0.00 H new ATOM 1037 N ILE A 68 1.386 1.202 -9.352 1.00 0.00 N ATOM 1038 CA ILE A 68 1.948 2.143 -8.399 1.00 0.00 C ATOM 1039 C ILE A 68 1.606 3.580 -8.791 1.00 0.00 C ATOM 1040 O ILE A 68 2.053 4.083 -9.821 1.00 0.00 O ATOM 1041 CB ILE A 68 3.482 1.933 -8.284 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.803 1.135 -7.023 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.248 3.248 -8.288 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.265 0.780 -6.887 1.00 0.00 C ATOM 0 H ILE A 68 2.038 0.478 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 68 1.507 1.959 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 68 3.804 1.374 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.495 1.711 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.214 0.218 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.316 3.047 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.050 3.782 -9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.927 3.858 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.418 0.214 -5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.574 0.177 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.860 1.693 -6.854 1.00 0.00 H new ATOM 1056 N THR A 69 0.784 4.222 -7.968 1.00 0.00 N ATOM 1057 CA THR A 69 0.363 5.596 -8.225 1.00 0.00 C ATOM 1058 C THR A 69 -0.165 6.246 -6.951 1.00 0.00 C ATOM 1059 O THR A 69 0.596 7.007 -6.318 1.00 0.00 O ATOM 1060 CB THR A 69 -0.715 5.628 -9.315 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.157 5.328 -10.582 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.423 6.963 -9.431 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.339 5.996 -6.600 1.00 0.00 O ATOM 0 H THR A 69 0.396 3.814 -7.118 1.00 0.00 H new ATOM 0 HA THR A 69 1.231 6.159 -8.568 1.00 0.00 H new ATOM 0 HB THR A 69 -1.445 4.877 -9.014 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.810 5.201 -10.492 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.171 6.910 -10.222 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.910 7.200 -8.485 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.697 7.740 -9.670 1.00 0.00 H new TER 1071 THR A 69