USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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 HE2:sc= -0.207 K(o=0.84,f=-9.9!) USER MOD Set 1.2: A 69 THR OG1 : rot -3:sc= 1.04 USER MOD Single : A 1 SER OG : rot 48:sc= 0.022 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -7.46! C(o=-7.5!,f=-10!) USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= -1.19 (180deg=-3.15!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.41 USER MOD Single : A 19 ASN : amide:sc=-0.000254 K(o=-0.00025,f=-0.68) USER MOD Single : A 20 MET CE :methyl 157:sc= -0.281 (180deg=-0.713) USER MOD Single : A 24 THR OG1 : rot 80:sc= 0.544 USER MOD Single : A 29 ASN : amide:sc= -6.82! C(o=-6.8!,f=-19!) USER MOD Single : A 31 ASN : amide:sc= -1.85! C(o=-1.8!,f=-2.1!) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -9.22! C(o=-12!,f=-9.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -90:sc= -0.516! USER MOD Single : A 43 MET CE :methyl -154:sc= -0.751 (180deg=-2.3!) USER MOD Single : A 44 THR OG1 : rot -160:sc= 0.00268 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.52 K(o=-1.5,f=-18!) USER MOD Single : A 59 HIS : no HD1:sc=-0.00405 X(o=-0.0041,f=0) 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 13.590 9.529 -10.009 1.00 0.00 C HETATM 2 O ACE A 0 14.042 8.569 -9.385 1.00 0.00 O HETATM 3 CH3 ACE A 0 14.474 10.346 -10.927 1.00 0.00 C HETATM 0 H1 ACE A 0 14.080 10.305 -11.943 1.00 0.00 H new HETATM 0 H2 ACE A 0 14.494 11.381 -10.587 1.00 0.00 H new HETATM 0 H3 ACE A 0 15.486 9.940 -10.914 1.00 0.00 H new ATOM 7 N SER A 1 12.325 9.932 -9.939 1.00 0.00 N ATOM 8 CA SER A 1 11.295 9.265 -9.087 1.00 0.00 C ATOM 9 C SER A 1 10.735 7.898 -9.629 1.00 0.00 C ATOM 10 O SER A 1 9.578 7.762 -10.033 1.00 0.00 O ATOM 11 CB SER A 1 10.199 10.322 -8.789 1.00 0.00 C ATOM 12 OG SER A 1 9.542 10.779 -9.977 1.00 0.00 O ATOM 0 H SER A 1 11.966 10.729 -10.464 1.00 0.00 H new ATOM 0 HA SER A 1 11.771 8.934 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.461 9.894 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.648 11.172 -8.276 1.00 0.00 H new ATOM 0 HG SER A 1 9.282 10.009 -10.524 1.00 0.00 H new ATOM 18 N ARG A 2 11.580 6.850 -9.622 1.00 0.00 N ATOM 19 CA ARG A 2 11.188 5.467 -9.862 1.00 0.00 C ATOM 20 C ARG A 2 12.237 4.497 -9.325 1.00 0.00 C ATOM 21 O ARG A 2 13.110 4.039 -10.060 1.00 0.00 O ATOM 22 CB ARG A 2 10.964 5.227 -11.358 1.00 0.00 C ATOM 23 CG ARG A 2 12.134 5.653 -12.232 1.00 0.00 C ATOM 24 CD ARG A 2 12.203 4.824 -13.506 1.00 0.00 C ATOM 25 NE ARG A 2 12.317 3.394 -13.224 1.00 0.00 N ATOM 26 CZ ARG A 2 13.453 2.703 -13.303 1.00 0.00 C ATOM 27 NH1 ARG A 2 14.590 3.303 -13.638 1.00 0.00 N ATOM 28 NH2 ARG A 2 13.455 1.403 -13.039 1.00 0.00 N ATOM 0 H ARG A 2 12.579 6.955 -9.444 1.00 0.00 H new ATOM 0 HA ARG A 2 10.253 5.286 -9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.768 4.167 -11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.072 5.768 -11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.035 6.708 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.065 5.546 -11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.311 5.005 -14.105 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.057 5.145 -14.102 1.00 0.00 H new ATOM 0 HE ARG A 2 11.472 2.893 -12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 2 14.599 4.303 -13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 2 15.454 2.763 -13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.588 0.935 -12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.324 0.872 -13.099 1.00 0.00 H new ATOM 42 N ARG A 3 12.141 4.188 -8.036 1.00 0.00 N ATOM 43 CA ARG A 3 13.076 3.273 -7.392 1.00 0.00 C ATOM 44 C ARG A 3 12.428 2.604 -6.186 1.00 0.00 C ATOM 45 O ARG A 3 12.685 2.977 -5.041 1.00 0.00 O ATOM 46 CB ARG A 3 14.335 4.021 -6.955 1.00 0.00 C ATOM 47 CG ARG A 3 15.438 3.109 -6.442 1.00 0.00 C ATOM 48 CD ARG A 3 16.707 3.248 -7.269 1.00 0.00 C ATOM 49 NE ARG A 3 17.905 2.936 -6.492 1.00 0.00 N ATOM 50 CZ ARG A 3 19.145 3.103 -6.947 1.00 0.00 C ATOM 51 NH1 ARG A 3 19.352 3.579 -8.168 1.00 0.00 N ATOM 52 NH2 ARG A 3 20.180 2.794 -6.178 1.00 0.00 N ATOM 0 H ARG A 3 11.422 4.560 -7.415 1.00 0.00 H new ATOM 0 HA ARG A 3 13.351 2.504 -8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.715 4.599 -7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.071 4.733 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.653 3.347 -5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.097 2.074 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.652 2.584 -8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.779 4.265 -7.654 1.00 0.00 H new ATOM 0 HE ARG A 3 17.784 2.570 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 3 18.559 3.819 -8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 3 20.304 3.705 -8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 3 20.026 2.428 -5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 3 21.130 2.922 -6.526 1.00 0.00 H new ATOM 66 N CYS A 4 11.581 1.614 -6.447 1.00 0.00 N ATOM 67 CA CYS A 4 10.893 0.903 -5.381 1.00 0.00 C ATOM 68 C CYS A 4 10.854 -0.590 -5.647 1.00 0.00 C ATOM 69 O CYS A 4 10.704 -1.026 -6.790 1.00 0.00 O ATOM 70 CB CYS A 4 9.470 1.441 -5.220 1.00 0.00 C ATOM 71 SG CYS A 4 8.576 1.647 -6.796 1.00 0.00 S ATOM 0 H CYS A 4 11.356 1.288 -7.387 1.00 0.00 H new ATOM 0 HA CYS A 4 11.448 1.068 -4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.906 0.763 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.511 2.403 -4.708 1.00 0.00 H new ATOM 76 N PRO A 5 10.980 -1.402 -4.586 1.00 0.00 N ATOM 77 CA PRO A 5 10.953 -2.850 -4.718 1.00 0.00 C ATOM 78 C PRO A 5 9.567 -3.363 -5.096 1.00 0.00 C ATOM 79 O PRO A 5 8.563 -2.681 -4.882 1.00 0.00 O ATOM 80 CB PRO A 5 11.355 -3.354 -3.331 1.00 0.00 C ATOM 81 CG PRO A 5 10.995 -2.248 -2.403 1.00 0.00 C ATOM 82 CD PRO A 5 11.151 -0.972 -3.184 1.00 0.00 C ATOM 0 HA PRO A 5 11.616 -3.199 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.826 -4.272 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.421 -3.577 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.972 -2.360 -2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.644 -2.249 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.404 -0.232 -2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.128 -0.518 -3.020 1.00 0.00 H new ATOM 89 N GLY A 6 9.516 -4.563 -5.664 1.00 0.00 N ATOM 90 CA GLY A 6 8.244 -5.139 -6.063 1.00 0.00 C ATOM 91 C GLY A 6 7.755 -4.600 -7.395 1.00 0.00 C ATOM 92 O GLY A 6 8.354 -3.684 -7.958 1.00 0.00 O ATOM 0 H GLY A 6 10.331 -5.146 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.344 -6.223 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.498 -4.933 -5.295 1.00 0.00 H new ATOM 96 N LYS A 7 6.661 -5.168 -7.891 1.00 0.00 N ATOM 97 CA LYS A 7 6.082 -4.749 -9.162 1.00 0.00 C ATOM 98 C LYS A 7 5.463 -3.349 -9.053 1.00 0.00 C ATOM 99 O LYS A 7 5.100 -2.907 -7.961 1.00 0.00 O ATOM 100 CB LYS A 7 5.062 -5.788 -9.621 1.00 0.00 C ATOM 101 CG LYS A 7 4.514 -5.509 -11.000 1.00 0.00 C ATOM 102 CD LYS A 7 3.786 -6.713 -11.580 1.00 0.00 C ATOM 103 CE LYS A 7 4.754 -7.702 -12.209 1.00 0.00 C ATOM 104 NZ LYS A 7 4.578 -7.793 -13.686 1.00 0.00 N ATOM 0 H LYS A 7 6.155 -5.924 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 7 6.870 -4.684 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.527 -6.774 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.238 -5.819 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.831 -4.661 -10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.331 -5.225 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.218 -7.209 -10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.068 -6.379 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.777 -7.401 -11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.606 -8.686 -11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.257 -8.478 -14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.610 -8.105 -13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.744 -6.860 -14.114 1.00 0.00 H new ATOM 118 N ASN A 8 5.384 -2.641 -10.187 1.00 0.00 N ATOM 119 CA ASN A 8 4.854 -1.271 -10.211 1.00 0.00 C ATOM 120 C ASN A 8 3.508 -1.159 -10.941 1.00 0.00 C ATOM 121 O ASN A 8 2.891 -0.100 -10.943 1.00 0.00 O ATOM 122 CB ASN A 8 5.877 -0.338 -10.866 1.00 0.00 C ATOM 123 CG ASN A 8 5.902 1.040 -10.233 1.00 0.00 C ATOM 124 OD1 ASN A 8 5.106 1.911 -10.582 1.00 0.00 O ATOM 125 ND2 ASN A 8 6.825 1.247 -9.299 1.00 0.00 N ATOM 0 H ASN A 8 5.679 -2.993 -11.098 1.00 0.00 H new ATOM 0 HA ASN A 8 4.677 -0.979 -9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.869 -0.785 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.648 -0.242 -11.927 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.893 2.156 -8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.465 0.497 -9.040 1.00 0.00 H new ATOM 132 N ALA A 9 3.059 -2.242 -11.560 1.00 0.00 N ATOM 133 CA ALA A 9 1.789 -2.246 -12.286 1.00 0.00 C ATOM 134 C ALA A 9 1.284 -3.674 -12.464 1.00 0.00 C ATOM 135 O ALA A 9 2.007 -4.535 -12.964 1.00 0.00 O ATOM 136 CB ALA A 9 1.953 -1.576 -13.642 1.00 0.00 C ATOM 0 H ALA A 9 3.554 -3.133 -11.576 1.00 0.00 H new ATOM 0 HA ALA A 9 1.057 -1.686 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.000 -1.587 -14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.279 -0.545 -13.502 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.698 -2.115 -14.227 1.00 0.00 H new ATOM 142 N TRP A 10 0.045 -3.928 -12.055 1.00 0.00 N ATOM 143 CA TRP A 10 -0.527 -5.265 -12.178 1.00 0.00 C ATOM 144 C TRP A 10 -1.667 -5.301 -13.194 1.00 0.00 C ATOM 145 O TRP A 10 -2.835 -5.413 -12.828 1.00 0.00 O ATOM 146 CB TRP A 10 -1.027 -5.765 -10.823 1.00 0.00 C ATOM 147 CG TRP A 10 0.071 -6.013 -9.839 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.602 -7.222 -9.495 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.770 -5.031 -9.066 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.587 -7.053 -8.558 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.711 -5.717 -8.278 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.695 -3.642 -8.966 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.566 -5.059 -7.400 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.548 -2.987 -8.091 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.471 -3.699 -7.319 1.00 0.00 C ATOM 0 H TRP A 10 -0.577 -3.234 -11.640 1.00 0.00 H new ATOM 0 HA TRP A 10 0.266 -5.923 -12.534 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.719 -5.033 -10.407 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.589 -6.688 -10.969 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.291 -8.173 -9.902 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.139 -7.800 -8.137 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.015 -3.086 -9.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.281 -5.605 -6.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.499 -1.912 -8.005 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.122 -3.163 -6.645 1.00 0.00 H new ATOM 166 N PRO A 11 -1.342 -5.228 -14.494 1.00 0.00 N ATOM 167 CA PRO A 11 -2.348 -5.272 -15.560 1.00 0.00 C ATOM 168 C PRO A 11 -3.188 -6.544 -15.496 1.00 0.00 C ATOM 169 O PRO A 11 -4.378 -6.531 -15.818 1.00 0.00 O ATOM 170 CB PRO A 11 -1.521 -5.234 -16.851 1.00 0.00 C ATOM 171 CG PRO A 11 -0.135 -5.605 -16.441 1.00 0.00 C ATOM 172 CD PRO A 11 0.023 -5.118 -15.030 1.00 0.00 C ATOM 0 HA PRO A 11 -3.060 -4.450 -15.483 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.913 -5.933 -17.590 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.545 -4.243 -17.305 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.014 -6.683 -16.501 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.603 -5.144 -17.098 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.729 -5.729 -14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.390 -4.092 -14.995 1.00 0.00 H new ATOM 179 N GLU A 12 -2.564 -7.637 -15.069 1.00 0.00 N ATOM 180 CA GLU A 12 -3.255 -8.918 -14.956 1.00 0.00 C ATOM 181 C GLU A 12 -4.380 -8.855 -13.924 1.00 0.00 C ATOM 182 O GLU A 12 -5.225 -9.748 -13.864 1.00 0.00 O ATOM 183 CB GLU A 12 -2.267 -10.018 -14.587 1.00 0.00 C ATOM 184 CG GLU A 12 -1.603 -9.802 -13.245 1.00 0.00 C ATOM 185 CD GLU A 12 -0.164 -9.345 -13.375 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.101 -8.454 -14.211 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.697 -9.876 -12.643 1.00 0.00 O ATOM 0 H GLU A 12 -1.582 -7.662 -14.795 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.699 -9.145 -15.925 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.788 -10.976 -14.577 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.499 -10.081 -15.358 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.167 -9.060 -12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.636 -10.730 -12.674 1.00 0.00 H new ATOM 194 N LEU A 13 -4.394 -7.796 -13.117 1.00 0.00 N ATOM 195 CA LEU A 13 -5.428 -7.631 -12.104 1.00 0.00 C ATOM 196 C LEU A 13 -6.695 -7.058 -12.727 1.00 0.00 C ATOM 197 O LEU A 13 -7.791 -7.223 -12.196 1.00 0.00 O ATOM 198 CB LEU A 13 -4.941 -6.715 -10.976 1.00 0.00 C ATOM 199 CG LEU A 13 -3.971 -7.367 -9.989 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.668 -6.423 -8.834 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.535 -8.684 -9.474 1.00 0.00 C ATOM 0 H LEU A 13 -3.705 -7.045 -13.146 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.651 -8.612 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.456 -5.845 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.807 -6.351 -10.424 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.038 -7.577 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.976 -6.904 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.217 -5.509 -9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.593 -6.179 -8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.831 -9.132 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.483 -8.501 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.696 -9.363 -10.311 1.00 0.00 H new ATOM 213 N VAL A 14 -6.537 -6.386 -13.861 1.00 0.00 N ATOM 214 CA VAL A 14 -7.668 -5.791 -14.553 1.00 0.00 C ATOM 215 C VAL A 14 -8.676 -6.861 -14.957 1.00 0.00 C ATOM 216 O VAL A 14 -8.384 -7.717 -15.793 1.00 0.00 O ATOM 217 CB VAL A 14 -7.212 -5.027 -15.810 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.376 -4.270 -16.429 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.064 -4.085 -15.478 1.00 0.00 C ATOM 0 H VAL A 14 -5.637 -6.241 -14.318 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.139 -5.090 -13.864 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.854 -5.751 -16.542 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.033 -3.737 -17.316 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.160 -4.974 -16.709 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.771 -3.556 -15.706 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.756 -3.555 -16.379 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.389 -3.365 -14.727 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.223 -4.659 -15.090 1.00 0.00 H new ATOM 229 N GLY A 15 -9.856 -6.819 -14.349 1.00 0.00 N ATOM 230 CA GLY A 15 -10.878 -7.797 -14.654 1.00 0.00 C ATOM 231 C GLY A 15 -11.208 -8.681 -13.466 1.00 0.00 C ATOM 232 O GLY A 15 -12.176 -9.442 -13.505 1.00 0.00 O ATOM 0 H GLY A 15 -10.121 -6.124 -13.651 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.781 -7.283 -14.983 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.545 -8.419 -15.485 1.00 0.00 H new ATOM 236 N LYS A 16 -10.409 -8.583 -12.403 1.00 0.00 N ATOM 237 CA LYS A 16 -10.646 -9.387 -11.208 1.00 0.00 C ATOM 238 C LYS A 16 -11.221 -8.533 -10.081 1.00 0.00 C ATOM 239 O LYS A 16 -11.392 -7.327 -10.232 1.00 0.00 O ATOM 240 CB LYS A 16 -9.357 -10.077 -10.751 1.00 0.00 C ATOM 241 CG LYS A 16 -8.317 -9.132 -10.170 1.00 0.00 C ATOM 242 CD LYS A 16 -7.697 -9.703 -8.907 1.00 0.00 C ATOM 243 CE LYS A 16 -6.795 -10.888 -9.214 1.00 0.00 C ATOM 244 NZ LYS A 16 -7.387 -12.174 -8.752 1.00 0.00 N ATOM 0 H LYS A 16 -9.602 -7.962 -12.346 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.376 -10.155 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.606 -10.829 -10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.920 -10.604 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.537 -8.947 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.780 -8.171 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.121 -8.928 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.486 -10.013 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.614 -10.937 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.827 -10.741 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.178 -12.921 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.980 -12.432 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.417 -12.068 -8.658 1.00 0.00 H new ATOM 258 N SER A 17 -11.532 -9.169 -8.956 1.00 0.00 N ATOM 259 CA SER A 17 -12.101 -8.463 -7.809 1.00 0.00 C ATOM 260 C SER A 17 -11.098 -7.485 -7.206 1.00 0.00 C ATOM 261 O SER A 17 -9.898 -7.756 -7.164 1.00 0.00 O ATOM 262 CB SER A 17 -12.546 -9.461 -6.739 1.00 0.00 C ATOM 263 OG SER A 17 -11.470 -9.803 -5.887 1.00 0.00 O ATOM 0 H SER A 17 -11.401 -10.170 -8.812 1.00 0.00 H new ATOM 0 HA SER A 17 -12.964 -7.899 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.358 -9.032 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.938 -10.360 -7.215 1.00 0.00 H new ATOM 0 HG SER A 17 -11.779 -10.441 -5.210 1.00 0.00 H new ATOM 269 N GLY A 18 -11.601 -6.352 -6.723 1.00 0.00 N ATOM 270 CA GLY A 18 -10.736 -5.356 -6.117 1.00 0.00 C ATOM 271 C GLY A 18 -9.991 -5.894 -4.910 1.00 0.00 C ATOM 272 O GLY A 18 -8.894 -5.430 -4.594 1.00 0.00 O ATOM 0 H GLY A 18 -12.591 -6.107 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.017 -5.004 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.333 -4.494 -5.818 1.00 0.00 H new ATOM 276 N ASN A 19 -10.585 -6.874 -4.231 1.00 0.00 N ATOM 277 CA ASN A 19 -9.965 -7.467 -3.049 1.00 0.00 C ATOM 278 C ASN A 19 -8.787 -8.345 -3.442 1.00 0.00 C ATOM 279 O ASN A 19 -7.676 -8.172 -2.941 1.00 0.00 O ATOM 280 CB ASN A 19 -10.986 -8.288 -2.259 1.00 0.00 C ATOM 281 CG ASN A 19 -10.563 -8.502 -0.820 1.00 0.00 C ATOM 282 OD1 ASN A 19 -9.539 -9.130 -0.548 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.351 -7.980 0.113 1.00 0.00 N ATOM 0 H ASN A 19 -11.491 -7.272 -4.478 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.602 -6.656 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.951 -7.781 -2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.123 -9.255 -2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.117 -8.092 1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.190 -7.467 -0.157 1.00 0.00 H new ATOM 290 N MET A 20 -9.033 -9.284 -4.347 1.00 0.00 N ATOM 291 CA MET A 20 -7.983 -10.178 -4.814 1.00 0.00 C ATOM 292 C MET A 20 -6.883 -9.365 -5.486 1.00 0.00 C ATOM 293 O MET A 20 -5.707 -9.730 -5.438 1.00 0.00 O ATOM 294 CB MET A 20 -8.554 -11.220 -5.783 1.00 0.00 C ATOM 295 CG MET A 20 -8.418 -12.651 -5.292 1.00 0.00 C ATOM 296 SD MET A 20 -6.700 -13.153 -5.080 1.00 0.00 S ATOM 297 CE MET A 20 -6.596 -13.246 -3.295 1.00 0.00 C ATOM 0 H MET A 20 -9.947 -9.445 -4.770 1.00 0.00 H new ATOM 0 HA MET A 20 -7.561 -10.709 -3.961 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.608 -11.003 -5.955 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.048 -11.125 -6.744 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.943 -12.756 -4.343 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.903 -13.322 -6.001 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.779 -13.909 -3.012 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.413 -12.251 -2.889 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.533 -13.634 -2.896 1.00 0.00 H new ATOM 307 N ALA A 21 -7.274 -8.246 -6.095 1.00 0.00 N ATOM 308 CA ALA A 21 -6.325 -7.365 -6.757 1.00 0.00 C ATOM 309 C ALA A 21 -5.382 -6.742 -5.736 1.00 0.00 C ATOM 310 O ALA A 21 -4.170 -6.971 -5.768 1.00 0.00 O ATOM 311 CB ALA A 21 -7.062 -6.286 -7.540 1.00 0.00 C ATOM 0 H ALA A 21 -8.243 -7.932 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.732 -7.952 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.339 -5.634 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.698 -6.753 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.677 -5.698 -6.859 1.00 0.00 H new ATOM 317 N ALA A 22 -5.946 -5.975 -4.806 1.00 0.00 N ATOM 318 CA ALA A 22 -5.149 -5.346 -3.763 1.00 0.00 C ATOM 319 C ALA A 22 -4.264 -6.383 -3.082 1.00 0.00 C ATOM 320 O ALA A 22 -3.110 -6.113 -2.749 1.00 0.00 O ATOM 321 CB ALA A 22 -6.046 -4.659 -2.745 1.00 0.00 C ATOM 0 H ALA A 22 -6.945 -5.777 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.512 -4.589 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.432 -4.195 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.642 -3.894 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.708 -5.395 -2.288 1.00 0.00 H new ATOM 327 N ALA A 23 -4.815 -7.580 -2.897 1.00 0.00 N ATOM 328 CA ALA A 23 -4.081 -8.673 -2.278 1.00 0.00 C ATOM 329 C ALA A 23 -2.865 -9.038 -3.117 1.00 0.00 C ATOM 330 O ALA A 23 -1.767 -9.212 -2.594 1.00 0.00 O ATOM 331 CB ALA A 23 -4.985 -9.883 -2.096 1.00 0.00 C ATOM 0 H ALA A 23 -5.770 -7.815 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.738 -8.348 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.421 -10.692 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.827 -9.615 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.355 -10.210 -3.068 1.00 0.00 H new ATOM 337 N THR A 24 -3.070 -9.137 -4.427 1.00 0.00 N ATOM 338 CA THR A 24 -1.987 -9.468 -5.345 1.00 0.00 C ATOM 339 C THR A 24 -0.868 -8.443 -5.232 1.00 0.00 C ATOM 340 O THR A 24 0.310 -8.799 -5.191 1.00 0.00 O ATOM 341 CB THR A 24 -2.504 -9.527 -6.784 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.697 -10.288 -6.859 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.511 -10.134 -7.751 1.00 0.00 C ATOM 0 H THR A 24 -3.975 -8.993 -4.875 1.00 0.00 H new ATOM 0 HA THR A 24 -1.594 -10.449 -5.076 1.00 0.00 H new ATOM 0 HB THR A 24 -2.679 -8.490 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.456 -9.736 -6.576 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.940 -10.146 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.597 -9.540 -7.754 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.280 -11.154 -7.443 1.00 0.00 H new ATOM 351 N VAL A 25 -1.244 -7.170 -5.176 1.00 0.00 N ATOM 352 CA VAL A 25 -0.266 -6.096 -5.056 1.00 0.00 C ATOM 353 C VAL A 25 0.485 -6.185 -3.736 1.00 0.00 C ATOM 354 O VAL A 25 1.704 -6.332 -3.717 1.00 0.00 O ATOM 355 CB VAL A 25 -0.928 -4.709 -5.170 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.124 -3.608 -5.170 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.795 -4.632 -6.420 1.00 0.00 C ATOM 0 H VAL A 25 -2.214 -6.858 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 25 0.437 -6.217 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.569 -4.562 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.365 -2.637 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.695 -3.650 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.797 -3.747 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.254 -3.646 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.178 -4.803 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.574 -5.393 -6.370 1.00 0.00 H new ATOM 367 N GLU A 26 -0.241 -6.092 -2.630 1.00 0.00 N ATOM 368 CA GLU A 26 0.376 -6.160 -1.313 1.00 0.00 C ATOM 369 C GLU A 26 1.123 -7.478 -1.117 1.00 0.00 C ATOM 370 O GLU A 26 2.037 -7.565 -0.296 1.00 0.00 O ATOM 371 CB GLU A 26 -0.687 -5.991 -0.229 1.00 0.00 C ATOM 372 CG GLU A 26 -1.253 -4.584 -0.164 1.00 0.00 C ATOM 373 CD GLU A 26 -2.742 -4.560 0.122 1.00 0.00 C ATOM 374 OE1 GLU A 26 -3.230 -5.481 0.810 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.418 -3.617 -0.341 1.00 0.00 O ATOM 0 H GLU A 26 -1.254 -5.970 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 26 1.101 -5.349 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.499 -6.695 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.255 -6.247 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.730 -4.023 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.061 -4.077 -1.109 1.00 0.00 H new ATOM 382 N ARG A 27 0.732 -8.503 -1.869 1.00 0.00 N ATOM 383 CA ARG A 27 1.372 -9.812 -1.769 1.00 0.00 C ATOM 384 C ARG A 27 2.668 -9.851 -2.575 1.00 0.00 C ATOM 385 O ARG A 27 3.746 -10.064 -2.023 1.00 0.00 O ATOM 386 CB ARG A 27 0.420 -10.907 -2.254 1.00 0.00 C ATOM 387 CG ARG A 27 0.935 -12.315 -2.001 1.00 0.00 C ATOM 388 CD ARG A 27 0.159 -13.002 -0.888 1.00 0.00 C ATOM 389 NE ARG A 27 -1.235 -13.242 -1.259 1.00 0.00 N ATOM 390 CZ ARG A 27 -2.209 -13.469 -0.382 1.00 0.00 C ATOM 391 NH1 ARG A 27 -1.948 -13.489 0.920 1.00 0.00 N ATOM 392 NH2 ARG A 27 -3.449 -13.676 -0.805 1.00 0.00 N ATOM 0 H ARG A 27 -0.023 -8.453 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 27 1.615 -9.990 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.543 -10.786 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.246 -10.779 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.857 -12.902 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.992 -12.275 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.638 -13.950 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.194 -12.387 0.011 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.475 -13.235 -2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.997 -13.330 1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.699 -13.664 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.656 -13.661 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.195 -13.850 -0.132 1.00 0.00 H new ATOM 406 N GLU A 28 2.555 -9.641 -3.883 1.00 0.00 N ATOM 407 CA GLU A 28 3.720 -9.650 -4.761 1.00 0.00 C ATOM 408 C GLU A 28 4.679 -8.526 -4.389 1.00 0.00 C ATOM 409 O GLU A 28 5.894 -8.657 -4.537 1.00 0.00 O ATOM 410 CB GLU A 28 3.293 -9.507 -6.225 1.00 0.00 C ATOM 411 CG GLU A 28 2.871 -10.817 -6.869 1.00 0.00 C ATOM 412 CD GLU A 28 2.742 -10.708 -8.376 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.325 -9.636 -8.861 1.00 0.00 O ATOM 414 OE2 GLU A 28 3.061 -11.696 -9.073 1.00 0.00 O ATOM 0 H GLU A 28 1.670 -9.463 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 28 4.231 -10.605 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.466 -8.800 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.119 -9.081 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.600 -11.590 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.917 -11.134 -6.448 1.00 0.00 H new ATOM 421 N ASN A 29 4.121 -7.424 -3.900 1.00 0.00 N ATOM 422 CA ASN A 29 4.919 -6.271 -3.502 1.00 0.00 C ATOM 423 C ASN A 29 4.578 -5.844 -2.076 1.00 0.00 C ATOM 424 O ASN A 29 3.816 -4.899 -1.862 1.00 0.00 O ATOM 425 CB ASN A 29 4.683 -5.108 -4.466 1.00 0.00 C ATOM 426 CG ASN A 29 5.520 -3.894 -4.111 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.985 -3.757 -2.975 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.720 -3.008 -5.081 1.00 0.00 N ATOM 0 H ASN A 29 3.116 -7.305 -3.770 1.00 0.00 H new ATOM 0 HA ASN A 29 5.971 -6.554 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.919 -5.426 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.628 -4.836 -4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.278 -2.173 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.316 -3.163 -6.005 1.00 0.00 H new ATOM 435 N ARG A 30 5.156 -6.543 -1.106 1.00 0.00 N ATOM 436 CA ARG A 30 4.923 -6.243 0.302 1.00 0.00 C ATOM 437 C ARG A 30 5.409 -4.842 0.678 1.00 0.00 C ATOM 438 O ARG A 30 5.160 -4.378 1.791 1.00 0.00 O ATOM 439 CB ARG A 30 5.620 -7.284 1.182 1.00 0.00 C ATOM 440 CG ARG A 30 4.739 -8.473 1.535 1.00 0.00 C ATOM 441 CD ARG A 30 5.456 -9.795 1.300 1.00 0.00 C ATOM 442 NE ARG A 30 5.394 -10.666 2.471 1.00 0.00 N ATOM 443 CZ ARG A 30 5.940 -11.880 2.523 1.00 0.00 C ATOM 444 NH1 ARG A 30 6.588 -12.368 1.473 1.00 0.00 N ATOM 445 NH2 ARG A 30 5.837 -12.607 3.627 1.00 0.00 N ATOM 0 H ARG A 30 5.791 -7.324 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 30 3.846 -6.278 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.512 -7.643 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.954 -6.804 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.436 -8.404 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.828 -8.442 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.009 -10.303 0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.498 -9.602 1.046 1.00 0.00 H new ATOM 0 HE ARG A 30 4.904 -10.325 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.670 -11.813 0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.004 -13.298 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.340 -12.237 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.255 -13.537 3.666 1.00 0.00 H new ATOM 459 N ASN A 31 6.106 -4.170 -0.239 1.00 0.00 N ATOM 460 CA ASN A 31 6.618 -2.833 0.036 1.00 0.00 C ATOM 461 C ASN A 31 5.607 -1.750 -0.343 1.00 0.00 C ATOM 462 O ASN A 31 5.856 -0.562 -0.137 1.00 0.00 O ATOM 463 CB ASN A 31 7.930 -2.604 -0.710 1.00 0.00 C ATOM 464 CG ASN A 31 8.540 -1.247 -0.409 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.409 -0.307 -1.192 1.00 0.00 O ATOM 466 ND2 ASN A 31 9.210 -1.140 0.731 1.00 0.00 N ATOM 0 H ASN A 31 6.326 -4.527 -1.169 1.00 0.00 H new ATOM 0 HA ASN A 31 6.795 -2.765 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.640 -3.386 -0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.754 -2.690 -1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.641 -0.252 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.294 -1.946 1.351 1.00 0.00 H new ATOM 473 N VAL A 32 4.470 -2.155 -0.901 1.00 0.00 N ATOM 474 CA VAL A 32 3.445 -1.198 -1.300 1.00 0.00 C ATOM 475 C VAL A 32 2.075 -1.585 -0.755 1.00 0.00 C ATOM 476 O VAL A 32 1.886 -2.690 -0.248 1.00 0.00 O ATOM 477 CB VAL A 32 3.369 -1.068 -2.834 1.00 0.00 C ATOM 478 CG1 VAL A 32 4.746 -0.774 -3.404 1.00 0.00 C ATOM 479 CG2 VAL A 32 2.781 -2.326 -3.461 1.00 0.00 C ATOM 0 H VAL A 32 4.237 -3.131 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 32 3.731 -0.235 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 32 2.707 -0.236 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.679 -0.684 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.121 0.160 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.427 -1.586 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.739 -2.207 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.408 -3.183 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.775 -2.489 -3.074 1.00 0.00 H new ATOM 489 N HIS A 33 1.120 -0.665 -0.866 1.00 0.00 N ATOM 490 CA HIS A 33 -0.240 -0.908 -0.392 1.00 0.00 C ATOM 491 C HIS A 33 -1.256 -0.469 -1.446 1.00 0.00 C ATOM 492 O HIS A 33 -1.119 0.598 -2.051 1.00 0.00 O ATOM 493 CB HIS A 33 -0.476 -0.191 0.952 1.00 0.00 C ATOM 494 CG HIS A 33 -1.169 1.138 0.857 1.00 0.00 C ATOM 495 ND1 HIS A 33 -0.763 2.320 0.333 1.00 0.00 N flip ATOM 496 CD2 HIS A 33 -2.430 1.362 1.367 1.00 0.00 C flip ATOM 497 CE1 HIS A 33 -1.775 3.224 0.538 1.00 0.00 C flip ATOM 498 NE2 HIS A 33 -2.768 2.622 1.164 1.00 0.00 N flip ATOM 0 H HIS A 33 1.263 0.256 -1.280 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.372 -1.977 -0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.065 -0.845 1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.487 -0.046 1.442 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.128 2.503 -0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.046 0.622 1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.761 4.261 0.236 1.00 0.00 H new ATOM 507 N ALA A 34 -2.260 -1.308 -1.684 1.00 0.00 N ATOM 508 CA ALA A 34 -3.276 -1.009 -2.682 1.00 0.00 C ATOM 509 C ALA A 34 -4.612 -0.654 -2.039 1.00 0.00 C ATOM 510 O ALA A 34 -5.174 -1.436 -1.272 1.00 0.00 O ATOM 511 CB ALA A 34 -3.438 -2.182 -3.637 1.00 0.00 C ATOM 0 H ALA A 34 -2.390 -2.197 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.942 -0.137 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.201 -1.945 -4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.491 -2.375 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.739 -3.068 -3.078 1.00 0.00 H new ATOM 517 N ILE A 35 -5.118 0.529 -2.375 1.00 0.00 N ATOM 518 CA ILE A 35 -6.394 0.996 -1.849 1.00 0.00 C ATOM 519 C ILE A 35 -7.510 0.736 -2.851 1.00 0.00 C ATOM 520 O ILE A 35 -7.520 1.301 -3.945 1.00 0.00 O ATOM 521 CB ILE A 35 -6.362 2.500 -1.530 1.00 0.00 C ATOM 522 CG1 ILE A 35 -5.134 2.841 -0.687 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.639 2.919 -0.816 1.00 0.00 C ATOM 524 CD1 ILE A 35 -3.881 3.039 -1.507 1.00 0.00 C ATOM 0 H ILE A 35 -4.661 1.183 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.579 0.444 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.297 3.053 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.334 3.749 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.965 2.042 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.600 3.986 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.498 2.710 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.735 2.361 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.048 3.278 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.657 2.125 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.032 3.857 -2.211 1.00 0.00 H new ATOM 536 N VAL A 36 -8.454 -0.115 -2.476 1.00 0.00 N ATOM 537 CA VAL A 36 -9.564 -0.433 -3.352 1.00 0.00 C ATOM 538 C VAL A 36 -10.622 0.660 -3.310 1.00 0.00 C ATOM 539 O VAL A 36 -11.281 0.875 -2.291 1.00 0.00 O ATOM 540 CB VAL A 36 -10.200 -1.781 -2.969 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.332 -2.141 -3.922 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.148 -2.878 -2.943 1.00 0.00 C ATOM 0 H VAL A 36 -8.471 -0.594 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.170 -0.504 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.622 -1.685 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.764 -3.098 -3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.100 -1.369 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.943 -2.214 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.616 -3.824 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.693 -2.969 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.380 -2.628 -2.211 1.00 0.00 H new ATOM 552 N LEU A 37 -10.769 1.347 -4.432 1.00 0.00 N ATOM 553 CA LEU A 37 -11.735 2.426 -4.561 1.00 0.00 C ATOM 554 C LEU A 37 -12.494 2.290 -5.874 1.00 0.00 C ATOM 555 O LEU A 37 -11.961 1.766 -6.849 1.00 0.00 O ATOM 556 CB LEU A 37 -11.032 3.783 -4.502 1.00 0.00 C ATOM 557 CG LEU A 37 -9.632 3.819 -5.126 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.704 4.305 -6.567 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.704 4.700 -4.304 1.00 0.00 C ATOM 0 H LEU A 37 -10.224 1.173 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.440 2.363 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.657 4.520 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.956 4.090 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.227 2.807 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.702 4.325 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.333 3.630 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.129 5.309 -6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.715 4.714 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.102 5.714 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.629 4.304 -3.291 1.00 0.00 H new ATOM 571 N LYS A 38 -13.738 2.749 -5.897 1.00 0.00 N ATOM 572 CA LYS A 38 -14.554 2.652 -7.101 1.00 0.00 C ATOM 573 C LYS A 38 -14.396 3.882 -7.993 1.00 0.00 C ATOM 574 O LYS A 38 -14.028 4.964 -7.527 1.00 0.00 O ATOM 575 CB LYS A 38 -16.024 2.463 -6.725 1.00 0.00 C ATOM 576 CG LYS A 38 -16.615 3.649 -5.983 1.00 0.00 C ATOM 577 CD LYS A 38 -17.962 3.309 -5.369 1.00 0.00 C ATOM 578 CE LYS A 38 -18.301 4.244 -4.220 1.00 0.00 C ATOM 579 NZ LYS A 38 -17.596 3.863 -2.965 1.00 0.00 N ATOM 0 H LYS A 38 -14.202 3.189 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.209 1.786 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.603 2.286 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.121 1.571 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.928 3.968 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.729 4.488 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.738 3.372 -6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.951 2.280 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.032 5.265 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.377 4.233 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.855 4.526 -2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.872 2.898 -2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.568 3.898 -3.120 1.00 0.00 H new ATOM 593 N GLU A 39 -14.688 3.703 -9.281 1.00 0.00 N ATOM 594 CA GLU A 39 -14.589 4.781 -10.262 1.00 0.00 C ATOM 595 C GLU A 39 -15.197 6.077 -9.731 1.00 0.00 C ATOM 596 O GLU A 39 -16.363 6.114 -9.342 1.00 0.00 O ATOM 597 CB GLU A 39 -15.292 4.379 -11.561 1.00 0.00 C ATOM 598 CG GLU A 39 -14.870 5.207 -12.764 1.00 0.00 C ATOM 599 CD GLU A 39 -15.776 4.995 -13.961 1.00 0.00 C ATOM 600 OE1 GLU A 39 -15.898 3.837 -14.414 1.00 0.00 O ATOM 601 OE2 GLU A 39 -16.361 5.985 -14.446 1.00 0.00 O ATOM 0 H GLU A 39 -14.998 2.813 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.531 4.955 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.088 3.328 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.369 4.474 -11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.872 6.263 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.846 4.950 -13.037 1.00 0.00 H new ATOM 608 N GLY A 40 -14.398 7.140 -9.724 1.00 0.00 N ATOM 609 CA GLY A 40 -14.877 8.422 -9.245 1.00 0.00 C ATOM 610 C GLY A 40 -14.418 8.734 -7.833 1.00 0.00 C ATOM 611 O GLY A 40 -14.688 9.818 -7.316 1.00 0.00 O ATOM 0 H GLY A 40 -13.429 7.135 -10.041 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.530 9.208 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.966 8.433 -9.278 1.00 0.00 H new ATOM 615 N SER A 41 -13.722 7.790 -7.203 1.00 0.00 N ATOM 616 CA SER A 41 -13.233 7.988 -5.844 1.00 0.00 C ATOM 617 C SER A 41 -12.153 9.065 -5.811 1.00 0.00 C ATOM 618 O SER A 41 -11.802 9.642 -6.841 1.00 0.00 O ATOM 619 CB SER A 41 -12.682 6.672 -5.287 1.00 0.00 C ATOM 620 OG SER A 41 -11.914 6.886 -4.117 1.00 0.00 O ATOM 0 H SER A 41 -13.486 6.885 -7.611 1.00 0.00 H new ATOM 0 HA SER A 41 -14.066 8.317 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.507 5.996 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.067 6.184 -6.043 1.00 0.00 H new ATOM 0 HG SER A 41 -10.977 7.033 -4.363 1.00 0.00 H new ATOM 626 N ALA A 42 -11.621 9.322 -4.620 1.00 0.00 N ATOM 627 CA ALA A 42 -10.571 10.310 -4.445 1.00 0.00 C ATOM 628 C ALA A 42 -9.222 9.666 -4.704 1.00 0.00 C ATOM 629 O ALA A 42 -8.698 8.931 -3.866 1.00 0.00 O ATOM 630 CB ALA A 42 -10.621 10.909 -3.046 1.00 0.00 C ATOM 0 H ALA A 42 -11.905 8.854 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.723 11.119 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.826 11.646 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.586 11.391 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.487 10.119 -2.307 1.00 0.00 H new ATOM 636 N MET A 43 -8.682 9.916 -5.882 1.00 0.00 N ATOM 637 CA MET A 43 -7.412 9.341 -6.271 1.00 0.00 C ATOM 638 C MET A 43 -6.472 10.402 -6.794 1.00 0.00 C ATOM 639 O MET A 43 -6.568 10.825 -7.946 1.00 0.00 O ATOM 640 CB MET A 43 -7.622 8.258 -7.333 1.00 0.00 C ATOM 641 CG MET A 43 -8.788 8.541 -8.266 1.00 0.00 C ATOM 642 SD MET A 43 -8.602 7.748 -9.876 1.00 0.00 S ATOM 643 CE MET A 43 -6.934 8.239 -10.307 1.00 0.00 C ATOM 0 H MET A 43 -9.107 10.517 -6.588 1.00 0.00 H new ATOM 0 HA MET A 43 -6.962 8.891 -5.386 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.711 8.158 -7.923 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.788 7.302 -6.837 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.712 8.197 -7.801 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.883 9.618 -8.405 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.826 8.246 -11.392 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.736 9.237 -9.916 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.224 7.533 -9.876 1.00 0.00 H new ATOM 653 N THR A 44 -5.559 10.831 -5.937 1.00 0.00 N ATOM 654 CA THR A 44 -4.597 11.843 -6.316 1.00 0.00 C ATOM 655 C THR A 44 -3.771 11.362 -7.503 1.00 0.00 C ATOM 656 O THR A 44 -3.513 10.163 -7.645 1.00 0.00 O ATOM 657 CB THR A 44 -3.686 12.190 -5.140 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.219 11.016 -4.503 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.363 13.045 -4.091 1.00 0.00 C ATOM 0 H THR A 44 -5.467 10.493 -4.979 1.00 0.00 H new ATOM 0 HA THR A 44 -5.138 12.744 -6.605 1.00 0.00 H new ATOM 0 HB THR A 44 -2.862 12.758 -5.571 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.915 11.234 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.661 13.255 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.689 13.983 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.227 12.514 -3.691 1.00 0.00 H new ATOM 667 N LYS A 45 -3.375 12.303 -8.354 1.00 0.00 N ATOM 668 CA LYS A 45 -2.589 11.986 -9.537 1.00 0.00 C ATOM 669 C LYS A 45 -1.120 11.796 -9.186 1.00 0.00 C ATOM 670 O LYS A 45 -0.387 11.108 -9.895 1.00 0.00 O ATOM 671 CB LYS A 45 -2.732 13.088 -10.574 1.00 0.00 C ATOM 672 CG LYS A 45 -3.930 12.915 -11.493 1.00 0.00 C ATOM 673 CD LYS A 45 -3.754 11.729 -12.428 1.00 0.00 C ATOM 674 CE LYS A 45 -4.993 11.503 -13.278 1.00 0.00 C ATOM 675 NZ LYS A 45 -5.012 10.143 -13.884 1.00 0.00 N ATOM 0 H LYS A 45 -3.587 13.295 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.967 11.051 -9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.814 14.047 -10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.825 13.126 -11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.831 12.776 -10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.073 13.823 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.893 11.899 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.543 10.833 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.884 11.639 -12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.033 12.253 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.873 10.030 -14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.176 10.021 -14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.000 9.427 -13.130 1.00 0.00 H new ATOM 689 N ASP A 46 -0.695 12.417 -8.088 1.00 0.00 N ATOM 690 CA ASP A 46 0.691 12.319 -7.637 1.00 0.00 C ATOM 691 C ASP A 46 1.185 10.877 -7.709 1.00 0.00 C ATOM 692 O ASP A 46 0.387 9.941 -7.772 1.00 0.00 O ATOM 693 CB ASP A 46 0.825 12.852 -6.209 1.00 0.00 C ATOM 694 CG ASP A 46 1.638 14.131 -6.145 1.00 0.00 C ATOM 695 OD1 ASP A 46 1.513 14.961 -7.070 1.00 0.00 O ATOM 696 OD2 ASP A 46 2.400 14.302 -5.171 1.00 0.00 O ATOM 0 H ASP A 46 -1.291 12.994 -7.494 1.00 0.00 H new ATOM 0 HA ASP A 46 1.308 12.927 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.168 13.034 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.295 12.094 -5.583 1.00 0.00 H new ATOM 701 N PHE A 47 2.500 10.704 -7.711 1.00 0.00 N ATOM 702 CA PHE A 47 3.093 9.373 -7.793 1.00 0.00 C ATOM 703 C PHE A 47 3.626 8.910 -6.438 1.00 0.00 C ATOM 704 O PHE A 47 4.355 9.637 -5.761 1.00 0.00 O ATOM 705 CB PHE A 47 4.214 9.371 -8.832 1.00 0.00 C ATOM 706 CG PHE A 47 4.996 8.092 -8.870 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.565 7.028 -9.642 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.151 7.948 -8.120 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.274 5.844 -9.667 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.863 6.766 -8.140 1.00 0.00 C ATOM 711 CZ PHE A 47 6.423 5.712 -8.916 1.00 0.00 C ATOM 0 H PHE A 47 3.176 11.466 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 47 2.314 8.673 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.785 9.554 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.894 10.197 -8.622 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.665 7.125 -10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.499 8.770 -7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.929 5.021 -10.275 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.762 6.666 -7.550 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.978 4.786 -8.935 1.00 0.00 H new ATOM 721 N ARG A 48 3.260 7.686 -6.061 1.00 0.00 N ATOM 722 CA ARG A 48 3.695 7.093 -4.798 1.00 0.00 C ATOM 723 C ARG A 48 3.905 5.589 -4.963 1.00 0.00 C ATOM 724 O ARG A 48 2.945 4.834 -5.129 1.00 0.00 O ATOM 725 CB ARG A 48 2.668 7.353 -3.690 1.00 0.00 C ATOM 726 CG ARG A 48 2.298 8.819 -3.529 1.00 0.00 C ATOM 727 CD ARG A 48 2.303 9.245 -2.069 1.00 0.00 C ATOM 728 NE ARG A 48 1.345 8.480 -1.270 1.00 0.00 N ATOM 729 CZ ARG A 48 0.394 9.029 -0.513 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.254 10.349 -0.449 1.00 0.00 N ATOM 731 NH2 ARG A 48 -0.424 8.251 0.184 1.00 0.00 N ATOM 0 H ARG A 48 2.657 7.081 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 48 4.639 7.558 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.765 6.781 -3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.065 6.982 -2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.001 9.435 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.310 8.994 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.304 9.115 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.066 10.307 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 48 1.409 7.462 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.878 10.954 -0.983 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.477 10.757 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.324 7.237 0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.153 8.667 0.764 1.00 0.00 H new ATOM 745 N CYS A 49 5.164 5.165 -4.931 1.00 0.00 N ATOM 746 CA CYS A 49 5.508 3.752 -5.082 1.00 0.00 C ATOM 747 C CYS A 49 4.871 2.901 -3.989 1.00 0.00 C ATOM 748 O CYS A 49 4.515 1.750 -4.222 1.00 0.00 O ATOM 749 CB CYS A 49 7.028 3.571 -5.047 1.00 0.00 C ATOM 750 SG CYS A 49 7.819 3.527 -6.687 1.00 0.00 S ATOM 0 H CYS A 49 5.967 5.781 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 49 5.120 3.421 -6.045 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.465 4.384 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.259 2.645 -4.521 1.00 0.00 H new ATOM 755 N ASP A 50 4.732 3.464 -2.796 1.00 0.00 N ATOM 756 CA ASP A 50 4.146 2.730 -1.682 1.00 0.00 C ATOM 757 C ASP A 50 2.625 2.699 -1.768 1.00 0.00 C ATOM 758 O ASP A 50 1.968 2.076 -0.938 1.00 0.00 O ATOM 759 CB ASP A 50 4.569 3.362 -0.356 1.00 0.00 C ATOM 760 CG ASP A 50 4.076 4.789 -0.219 1.00 0.00 C ATOM 761 OD1 ASP A 50 4.154 5.541 -1.215 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.604 5.152 0.879 1.00 0.00 O ATOM 0 H ASP A 50 5.014 4.419 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 50 4.511 1.704 -1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.181 2.765 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.656 3.346 -0.278 1.00 0.00 H new ATOM 767 N ARG A 51 2.068 3.372 -2.771 1.00 0.00 N ATOM 768 CA ARG A 51 0.623 3.415 -2.942 1.00 0.00 C ATOM 769 C ARG A 51 0.205 2.859 -4.297 1.00 0.00 C ATOM 770 O ARG A 51 0.878 3.071 -5.305 1.00 0.00 O ATOM 771 CB ARG A 51 0.123 4.853 -2.797 1.00 0.00 C ATOM 772 CG ARG A 51 -1.370 4.964 -2.535 1.00 0.00 C ATOM 773 CD ARG A 51 -1.820 6.414 -2.522 1.00 0.00 C ATOM 774 NE ARG A 51 -1.685 7.039 -3.835 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.481 8.341 -4.023 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.414 9.168 -2.985 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.357 8.818 -5.254 1.00 0.00 N ATOM 0 H ARG A 51 2.594 3.892 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 51 0.176 2.791 -2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.662 5.334 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.364 5.404 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.918 4.418 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.610 4.498 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.860 6.468 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.231 6.970 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.751 6.441 -4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.519 8.806 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.257 10.165 -3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.418 8.188 -6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.201 9.815 -5.401 1.00 0.00 H new ATOM 791 N VAL A 52 -0.919 2.155 -4.306 1.00 0.00 N ATOM 792 CA VAL A 52 -1.455 1.575 -5.528 1.00 0.00 C ATOM 793 C VAL A 52 -2.970 1.755 -5.565 1.00 0.00 C ATOM 794 O VAL A 52 -3.686 1.193 -4.739 1.00 0.00 O ATOM 795 CB VAL A 52 -1.106 0.075 -5.649 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.702 -0.523 -6.917 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.403 -0.125 -5.620 1.00 0.00 C ATOM 0 H VAL A 52 -1.480 1.972 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.999 2.095 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.541 -0.444 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.442 -1.580 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.787 -0.417 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.305 -0.001 -7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.631 -1.187 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.857 0.412 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.803 0.257 -4.680 1.00 0.00 H new ATOM 807 N TRP A 53 -3.454 2.548 -6.518 1.00 0.00 N ATOM 808 CA TRP A 53 -4.888 2.805 -6.638 1.00 0.00 C ATOM 809 C TRP A 53 -5.586 1.630 -7.315 1.00 0.00 C ATOM 810 O TRP A 53 -5.137 1.146 -8.354 1.00 0.00 O ATOM 811 CB TRP A 53 -5.150 4.076 -7.466 1.00 0.00 C ATOM 812 CG TRP A 53 -4.895 5.393 -6.775 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.340 6.511 -7.333 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.205 5.739 -5.423 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.299 7.531 -6.412 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.813 7.075 -5.227 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.772 5.046 -4.365 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.973 7.726 -4.009 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.933 5.687 -3.153 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.533 7.017 -2.982 1.00 0.00 C ATOM 0 H TRP A 53 -2.879 3.021 -7.215 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.283 2.940 -5.631 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.529 4.034 -8.361 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.188 4.060 -7.797 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.985 6.583 -8.350 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.944 8.472 -6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.083 4.019 -4.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.667 8.753 -3.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.374 5.154 -2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.669 7.492 -2.022 1.00 0.00 H new ATOM 831 N VAL A 54 -6.685 1.170 -6.720 1.00 0.00 N ATOM 832 CA VAL A 54 -7.436 0.056 -7.274 1.00 0.00 C ATOM 833 C VAL A 54 -8.859 0.498 -7.611 1.00 0.00 C ATOM 834 O VAL A 54 -9.762 0.403 -6.781 1.00 0.00 O ATOM 835 CB VAL A 54 -7.463 -1.133 -6.289 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.597 -2.101 -6.608 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.123 -1.855 -6.297 1.00 0.00 C ATOM 0 H VAL A 54 -7.071 1.553 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.941 -0.271 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.644 -0.735 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.584 -2.924 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.551 -1.578 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.468 -2.493 -7.617 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.156 -2.691 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.917 -2.228 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.335 -1.163 -5.998 1.00 0.00 H new ATOM 847 N ILE A 55 -9.046 0.996 -8.831 1.00 0.00 N ATOM 848 CA ILE A 55 -10.353 1.469 -9.276 1.00 0.00 C ATOM 849 C ILE A 55 -11.251 0.316 -9.699 1.00 0.00 C ATOM 850 O ILE A 55 -10.912 -0.465 -10.587 1.00 0.00 O ATOM 851 CB ILE A 55 -10.218 2.465 -10.445 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.220 3.571 -10.089 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.573 3.058 -10.801 1.00 0.00 C ATOM 854 CD1 ILE A 55 -8.112 3.737 -11.106 1.00 0.00 C ATOM 0 H ILE A 55 -8.308 1.082 -9.529 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.810 1.976 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.842 1.929 -11.316 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.756 4.515 -9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.779 3.352 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.458 3.759 -11.628 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.254 2.259 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.980 3.582 -9.936 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.444 4.537 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.551 2.806 -11.188 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.543 3.987 -12.076 1.00 0.00 H new ATOM 866 N VAL A 56 -12.405 0.222 -9.046 1.00 0.00 N ATOM 867 CA VAL A 56 -13.363 -0.827 -9.342 1.00 0.00 C ATOM 868 C VAL A 56 -14.709 -0.249 -9.766 1.00 0.00 C ATOM 869 O VAL A 56 -14.988 0.931 -9.552 1.00 0.00 O ATOM 870 CB VAL A 56 -13.568 -1.764 -8.132 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.244 -2.371 -7.693 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.227 -1.021 -6.978 1.00 0.00 C ATOM 0 H VAL A 56 -12.696 0.863 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.949 -1.404 -10.169 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.231 -2.573 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.410 -3.028 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.817 -2.945 -8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.555 -1.575 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.361 -1.701 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.594 -0.188 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.198 -0.642 -7.297 1.00 0.00 H new ATOM 882 N ASN A 57 -15.542 -1.096 -10.359 1.00 0.00 N ATOM 883 CA ASN A 57 -16.864 -0.683 -10.811 1.00 0.00 C ATOM 884 C ASN A 57 -17.891 -0.834 -9.694 1.00 0.00 C ATOM 885 O ASN A 57 -17.545 -1.154 -8.556 1.00 0.00 O ATOM 886 CB ASN A 57 -17.290 -1.506 -12.024 1.00 0.00 C ATOM 887 CG ASN A 57 -17.331 -2.992 -11.725 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.521 -3.401 -10.579 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.152 -3.809 -12.756 1.00 0.00 N ATOM 0 H ASN A 57 -15.324 -2.076 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.812 0.368 -11.094 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.275 -1.177 -12.356 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.599 -1.322 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.169 -4.819 -12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -16.998 -3.427 -13.689 1.00 0.00 H new ATOM 896 N ASP A 58 -19.153 -0.591 -10.026 1.00 0.00 N ATOM 897 CA ASP A 58 -20.235 -0.690 -9.054 1.00 0.00 C ATOM 898 C ASP A 58 -20.306 -2.083 -8.434 1.00 0.00 C ATOM 899 O ASP A 58 -20.836 -2.253 -7.336 1.00 0.00 O ATOM 900 CB ASP A 58 -21.572 -0.352 -9.715 1.00 0.00 C ATOM 901 CG ASP A 58 -21.681 1.114 -10.087 1.00 0.00 C ATOM 902 OD1 ASP A 58 -21.999 1.930 -9.197 1.00 0.00 O ATOM 903 OD2 ASP A 58 -21.448 1.445 -11.268 1.00 0.00 O ATOM 0 H ASP A 58 -19.453 -0.323 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.030 0.026 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.695 -0.961 -10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.385 -0.613 -9.038 1.00 0.00 H new ATOM 908 N HIS A 59 -19.780 -3.078 -9.141 1.00 0.00 N ATOM 909 CA HIS A 59 -19.798 -4.452 -8.651 1.00 0.00 C ATOM 910 C HIS A 59 -18.599 -4.731 -7.749 1.00 0.00 C ATOM 911 O HIS A 59 -18.614 -5.674 -6.957 1.00 0.00 O ATOM 912 CB HIS A 59 -19.802 -5.435 -9.824 1.00 0.00 C ATOM 913 CG HIS A 59 -21.070 -5.421 -10.620 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.179 -5.988 -11.871 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.290 -4.903 -10.336 1.00 0.00 C ATOM 916 CE1 HIS A 59 -22.408 -5.822 -12.324 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.103 -5.167 -11.412 1.00 0.00 N ATOM 0 H HIS A 59 -19.337 -2.959 -10.052 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.708 -4.586 -8.066 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -18.967 -5.201 -10.484 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.635 -6.442 -9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.571 -4.381 -9.433 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -22.781 -6.164 -13.278 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.084 -4.900 -11.493 1.00 0.00 H new ATOM 926 N GLY A 60 -17.559 -3.912 -7.877 1.00 0.00 N ATOM 927 CA GLY A 60 -16.369 -4.099 -7.071 1.00 0.00 C ATOM 928 C GLY A 60 -15.260 -4.791 -7.840 1.00 0.00 C ATOM 929 O GLY A 60 -14.363 -5.395 -7.248 1.00 0.00 O ATOM 0 H GLY A 60 -17.520 -3.124 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.015 -3.130 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.619 -4.687 -6.188 1.00 0.00 H new ATOM 933 N VAL A 61 -15.323 -4.700 -9.166 1.00 0.00 N ATOM 934 CA VAL A 61 -14.320 -5.314 -10.027 1.00 0.00 C ATOM 935 C VAL A 61 -13.298 -4.276 -10.469 1.00 0.00 C ATOM 936 O VAL A 61 -13.640 -3.116 -10.671 1.00 0.00 O ATOM 937 CB VAL A 61 -14.972 -5.947 -11.270 1.00 0.00 C ATOM 938 CG1 VAL A 61 -13.960 -6.773 -12.047 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.171 -6.796 -10.874 1.00 0.00 C ATOM 0 H VAL A 61 -16.061 -4.205 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.822 -6.096 -9.454 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.323 -5.143 -11.918 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.442 -7.211 -12.921 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.138 -6.133 -12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.573 -7.568 -11.410 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.617 -7.234 -11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.848 -7.591 -10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.908 -6.172 -10.369 1.00 0.00 H new ATOM 949 N VAL A 62 -12.041 -4.683 -10.601 1.00 0.00 N ATOM 950 CA VAL A 62 -10.989 -3.760 -11.013 1.00 0.00 C ATOM 951 C VAL A 62 -11.075 -3.469 -12.504 1.00 0.00 C ATOM 952 O VAL A 62 -10.850 -4.349 -13.336 1.00 0.00 O ATOM 953 CB VAL A 62 -9.584 -4.306 -10.686 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.515 -3.289 -11.064 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.480 -4.674 -9.214 1.00 0.00 C ATOM 0 H VAL A 62 -11.726 -5.638 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.143 -2.839 -10.451 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.421 -5.209 -11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.530 -3.691 -10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.573 -3.080 -12.132 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.675 -2.367 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.481 -5.057 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.665 -3.790 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.219 -5.439 -8.977 1.00 0.00 H new ATOM 965 N THR A 63 -11.406 -2.228 -12.837 1.00 0.00 N ATOM 966 CA THR A 63 -11.525 -1.817 -14.228 1.00 0.00 C ATOM 967 C THR A 63 -10.222 -1.207 -14.730 1.00 0.00 C ATOM 968 O THR A 63 -9.887 -1.320 -15.908 1.00 0.00 O ATOM 969 CB THR A 63 -12.666 -0.815 -14.390 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.377 0.390 -13.704 1.00 0.00 O ATOM 971 CG2 THR A 63 -13.993 -1.330 -13.879 1.00 0.00 C ATOM 0 H THR A 63 -11.597 -1.488 -12.161 1.00 0.00 H new ATOM 0 HA THR A 63 -11.742 -2.703 -14.824 1.00 0.00 H new ATOM 0 HB THR A 63 -12.751 -0.646 -15.463 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.119 1.019 -13.821 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.759 -0.569 -14.025 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.269 -2.231 -14.426 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.909 -1.562 -12.817 1.00 0.00 H new ATOM 979 N SER A 64 -9.491 -0.562 -13.830 1.00 0.00 N ATOM 980 CA SER A 64 -8.226 0.065 -14.189 1.00 0.00 C ATOM 981 C SER A 64 -7.041 -0.770 -13.712 1.00 0.00 C ATOM 982 O SER A 64 -7.144 -1.518 -12.742 1.00 0.00 O ATOM 983 CB SER A 64 -8.142 1.475 -13.598 1.00 0.00 C ATOM 984 OG SER A 64 -7.632 2.395 -14.546 1.00 0.00 O ATOM 0 H SER A 64 -9.751 -0.460 -12.849 1.00 0.00 H new ATOM 0 HA SER A 64 -8.183 0.130 -15.276 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.131 1.795 -13.271 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.503 1.465 -12.715 1.00 0.00 H new ATOM 0 HG SER A 64 -7.590 3.288 -14.145 1.00 0.00 H new ATOM 990 N VAL A 65 -5.915 -0.621 -14.402 1.00 0.00 N ATOM 991 CA VAL A 65 -4.692 -1.348 -14.067 1.00 0.00 C ATOM 992 C VAL A 65 -4.136 -0.923 -12.716 1.00 0.00 C ATOM 993 O VAL A 65 -3.475 0.100 -12.621 1.00 0.00 O ATOM 994 CB VAL A 65 -3.595 -1.101 -15.117 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.468 -2.110 -14.964 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.171 -1.136 -16.527 1.00 0.00 C ATOM 0 H VAL A 65 -5.823 0.002 -15.204 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.964 -2.403 -14.040 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.184 -0.105 -14.950 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.703 -1.918 -15.716 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.031 -2.019 -13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.861 -3.118 -15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.375 -0.959 -17.250 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.619 -2.112 -16.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.932 -0.362 -16.628 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.352 -1.710 -11.650 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.817 -1.377 -10.330 1.00 0.00 C ATOM 1008 C PRO A 66 -2.299 -1.240 -10.379 1.00 0.00 C ATOM 1009 O PRO A 66 -1.573 -2.223 -10.252 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.233 -2.564 -9.453 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.544 -3.660 -10.414 1.00 0.00 C ATOM 1012 CD PRO A 66 -5.081 -2.985 -11.643 1.00 0.00 C ATOM 0 HA PRO A 66 -4.191 -0.426 -9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.432 -2.851 -8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.100 -2.318 -8.840 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.652 -4.242 -10.646 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.276 -4.351 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.887 -3.568 -12.543 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.159 -2.836 -11.586 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.828 -0.016 -10.601 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.411 0.256 -10.700 1.00 0.00 C ATOM 1021 C HIS A 67 0.024 1.300 -9.676 1.00 0.00 C ATOM 1022 O HIS A 67 -0.769 2.140 -9.248 1.00 0.00 O ATOM 1023 CB HIS A 67 -0.091 0.746 -12.110 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.841 1.989 -12.491 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -2.217 2.085 -12.491 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -0.390 3.198 -12.869 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -2.573 3.303 -12.852 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -1.482 4.003 -13.087 1.00 0.00 N ATOM 0 H HIS A 67 -2.420 0.806 -10.716 1.00 0.00 H new ATOM 0 HA HIS A 67 0.135 -0.664 -10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.979 0.938 -12.186 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.325 -0.044 -12.824 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.860 1.331 -12.249 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.645 3.485 -12.981 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.587 3.665 -12.940 1.00 0.00 H new ATOM 1037 N ILE A 68 1.295 1.240 -9.299 1.00 0.00 N ATOM 1038 CA ILE A 68 1.872 2.172 -8.339 1.00 0.00 C ATOM 1039 C ILE A 68 1.519 3.616 -8.704 1.00 0.00 C ATOM 1040 O ILE A 68 1.922 4.123 -9.752 1.00 0.00 O ATOM 1041 CB ILE A 68 3.412 1.975 -8.266 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.795 1.285 -6.957 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.166 3.290 -8.416 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.275 0.993 -6.836 1.00 0.00 C ATOM 0 H ILE A 68 1.954 0.545 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 68 1.450 1.967 -7.355 1.00 0.00 H new ATOM 0 HB ILE A 68 3.701 1.340 -9.104 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.488 1.914 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.241 0.350 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.238 3.103 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.927 3.739 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.873 3.971 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.472 0.503 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.585 0.339 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.835 1.926 -6.887 1.00 0.00 H new ATOM 1056 N THR A 69 0.747 4.265 -7.839 1.00 0.00 N ATOM 1057 CA THR A 69 0.326 5.643 -8.072 1.00 0.00 C ATOM 1058 C THR A 69 -0.116 6.306 -6.770 1.00 0.00 C ATOM 1059 O THR A 69 0.742 6.909 -6.095 1.00 0.00 O ATOM 1060 CB THR A 69 -0.817 5.677 -9.092 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.351 5.316 -10.379 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.489 7.029 -9.211 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.319 6.226 -6.440 1.00 0.00 O ATOM 0 H THR A 69 0.400 3.859 -6.970 1.00 0.00 H new ATOM 0 HA THR A 69 1.177 6.198 -8.467 1.00 0.00 H new ATOM 0 HB THR A 69 -1.550 4.962 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.617 5.169 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.287 6.975 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.908 7.313 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.756 7.774 -9.522 1.00 0.00 H new TER 1071 THR A 69