USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 19 TYR OH : rot 24:sc= 0.0303 USER MOD Single : A 20 SER OG : rot 38:sc= 0.287 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -87:sc= 0.935 USER MOD Single : A 48 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 0.225 (180deg=-0.0177) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0548) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.55! C(o=-2.5!,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.23) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0202) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.22! C(o=-5.2!,f=-7.8!) USER MOD Single : A 75 THR OG1 : rot 148:sc= -1.24 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -148:sc= -0.141 (180deg=-1.39) USER MOD Single : A 79 MET CE :methyl -157:sc= -0.523 (180deg=-1.65) USER MOD Single : A 80 MET CE :methyl -143:sc= 0 (180deg=-0.00557) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 8.703 10.097 -2.678 1.00 0.00 N ATOM 67 CA LEU A 8 7.979 9.654 -1.499 1.00 0.00 C ATOM 68 C LEU A 8 7.874 8.128 -1.514 1.00 0.00 C ATOM 69 O LEU A 8 6.998 7.569 -2.173 1.00 0.00 O ATOM 70 CB LEU A 8 6.626 10.362 -1.403 1.00 0.00 C ATOM 71 CG LEU A 8 5.924 10.286 -0.046 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.289 11.486 0.830 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.410 10.143 -0.219 1.00 0.00 C ATOM 0 HA LEU A 8 8.521 9.928 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.769 11.412 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.963 9.939 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 8 6.276 9.393 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.776 11.406 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.366 11.502 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.985 12.406 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.935 10.091 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.023 11.004 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.192 9.232 -0.777 1.00 0.00 H new ATOM 85 N PRO A 9 8.803 7.480 -0.762 1.00 0.00 N ATOM 86 CA PRO A 9 8.823 6.029 -0.683 1.00 0.00 C ATOM 87 C PRO A 9 7.692 5.513 0.208 1.00 0.00 C ATOM 88 O PRO A 9 7.255 6.204 1.126 1.00 0.00 O ATOM 89 CB PRO A 9 10.204 5.683 -0.150 1.00 0.00 C ATOM 90 CG PRO A 9 10.736 6.957 0.486 1.00 0.00 C ATOM 91 CD PRO A 9 9.855 8.109 0.031 1.00 0.00 C ATOM 0 HA PRO A 9 8.652 5.553 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.150 4.875 0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.859 5.344 -0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.725 6.874 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.771 7.128 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.440 8.650 0.881 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.420 8.830 -0.561 1.00 0.00 H new ATOM 99 N ILE A 10 7.250 4.301 -0.095 1.00 0.00 N ATOM 100 CA ILE A 10 6.178 3.684 0.667 1.00 0.00 C ATOM 101 C ILE A 10 6.537 2.225 0.955 1.00 0.00 C ATOM 102 O ILE A 10 6.582 1.401 0.043 1.00 0.00 O ATOM 103 CB ILE A 10 4.839 3.856 -0.054 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.435 5.331 -0.115 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.754 2.990 0.588 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.381 5.567 -1.198 1.00 0.00 C ATOM 0 H ILE A 10 7.615 3.730 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 10 6.061 4.181 1.630 1.00 0.00 H new ATOM 0 HB ILE A 10 4.958 3.512 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.044 5.645 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.313 5.944 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.813 3.132 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.047 1.941 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.628 3.279 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.112 6.623 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.784 5.275 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.495 4.971 -0.979 1.00 0.00 H new ATOM 118 N ILE A 11 6.784 1.949 2.227 1.00 0.00 N ATOM 119 CA ILE A 11 7.138 0.604 2.647 1.00 0.00 C ATOM 120 C ILE A 11 5.867 -0.158 3.028 1.00 0.00 C ATOM 121 O ILE A 11 4.962 0.406 3.642 1.00 0.00 O ATOM 122 CB ILE A 11 8.185 0.648 3.761 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.440 1.395 3.304 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.508 -0.759 4.267 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.400 1.622 4.474 1.00 0.00 C ATOM 0 H ILE A 11 6.746 2.635 2.981 1.00 0.00 H new ATOM 0 HA ILE A 11 7.603 0.059 1.826 1.00 0.00 H new ATOM 0 HB ILE A 11 7.767 1.203 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.942 0.825 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.158 2.354 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.255 -0.698 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.602 -1.222 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.898 -1.361 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.283 2.155 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.903 2.213 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.699 0.660 4.891 1.00 0.00 H new ATOM 137 N VAL A 12 5.839 -1.427 2.649 1.00 0.00 N ATOM 138 CA VAL A 12 4.694 -2.271 2.943 1.00 0.00 C ATOM 139 C VAL A 12 5.161 -3.501 3.726 1.00 0.00 C ATOM 140 O VAL A 12 6.192 -4.090 3.407 1.00 0.00 O ATOM 141 CB VAL A 12 3.962 -2.630 1.649 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.602 -3.266 1.946 1.00 0.00 C ATOM 143 CG2 VAL A 12 3.808 -1.403 0.748 1.00 0.00 C ATOM 0 H VAL A 12 6.592 -1.891 2.141 1.00 0.00 H new ATOM 0 HA VAL A 12 3.978 -1.738 3.569 1.00 0.00 H new ATOM 0 HB VAL A 12 4.566 -3.364 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.103 -3.511 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.745 -4.175 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.988 -2.565 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.284 -1.686 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.237 -0.637 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.793 -1.011 0.495 1.00 0.00 H new ATOM 153 N LYS A 13 4.378 -3.851 4.736 1.00 0.00 N ATOM 154 CA LYS A 13 4.698 -4.999 5.567 1.00 0.00 C ATOM 155 C LYS A 13 3.742 -6.146 5.234 1.00 0.00 C ATOM 156 O LYS A 13 2.528 -5.954 5.187 1.00 0.00 O ATOM 157 CB LYS A 13 4.696 -4.607 7.046 1.00 0.00 C ATOM 158 CG LYS A 13 6.101 -4.716 7.644 1.00 0.00 C ATOM 159 CD LYS A 13 6.047 -5.257 9.075 1.00 0.00 C ATOM 160 CE LYS A 13 7.432 -5.227 9.724 1.00 0.00 C ATOM 161 NZ LYS A 13 7.966 -6.599 9.869 1.00 0.00 N ATOM 0 H LYS A 13 3.523 -3.360 4.997 1.00 0.00 H new ATOM 0 HA LYS A 13 5.707 -5.353 5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.329 -3.587 7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.012 -5.253 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.713 -5.373 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.579 -3.737 7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.351 -4.662 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.667 -6.279 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.111 -4.628 9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.372 -4.749 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.907 -6.561 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.325 -7.160 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.042 -7.043 8.932 1.00 0.00 H new ATOM 175 N TRP A 14 4.326 -7.315 5.012 1.00 0.00 N ATOM 176 CA TRP A 14 3.542 -8.493 4.685 1.00 0.00 C ATOM 177 C TRP A 14 4.139 -9.683 5.439 1.00 0.00 C ATOM 178 O TRP A 14 5.145 -10.249 5.015 1.00 0.00 O ATOM 179 CB TRP A 14 3.485 -8.711 3.172 1.00 0.00 C ATOM 180 CG TRP A 14 2.415 -9.710 2.726 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.165 -9.841 3.189 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.554 -10.719 1.704 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.490 -10.856 2.543 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.361 -11.407 1.611 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.650 -11.040 0.884 1.00 0.00 C ATOM 186 CZ2 TRP A 14 1.151 -12.459 0.711 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.424 -12.094 -0.009 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.230 -12.797 -0.115 1.00 0.00 C ATOM 0 H TRP A 14 5.333 -7.471 5.052 1.00 0.00 H new ATOM 0 HA TRP A 14 2.506 -8.366 5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.300 -7.754 2.684 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.459 -9.060 2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.739 -9.229 3.970 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.472 -11.148 2.717 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.592 -10.515 0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 0.207 -12.982 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.235 -12.381 -0.662 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.135 -13.600 -0.831 1.00 0.00 H new ATOM 199 N GLY A 15 3.493 -10.027 6.543 1.00 0.00 N ATOM 200 CA GLY A 15 3.947 -11.140 7.360 1.00 0.00 C ATOM 201 C GLY A 15 5.383 -10.917 7.840 1.00 0.00 C ATOM 202 O GLY A 15 5.605 -10.294 8.877 1.00 0.00 O ATOM 0 H GLY A 15 2.659 -9.555 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.287 -11.258 8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.891 -12.064 6.785 1.00 0.00 H new ATOM 206 N GLY A 16 6.321 -11.438 7.062 1.00 0.00 N ATOM 207 CA GLY A 16 7.729 -11.304 7.395 1.00 0.00 C ATOM 208 C GLY A 16 8.522 -10.754 6.208 1.00 0.00 C ATOM 209 O GLY A 16 9.724 -10.991 6.097 1.00 0.00 O ATOM 0 H GLY A 16 6.133 -11.954 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.842 -10.640 8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.131 -12.274 7.688 1.00 0.00 H new ATOM 213 N GLN A 17 7.818 -10.030 5.351 1.00 0.00 N ATOM 214 CA GLN A 17 8.442 -9.444 4.176 1.00 0.00 C ATOM 215 C GLN A 17 8.039 -7.974 4.039 1.00 0.00 C ATOM 216 O GLN A 17 6.861 -7.637 4.147 1.00 0.00 O ATOM 217 CB GLN A 17 8.082 -10.231 2.915 1.00 0.00 C ATOM 218 CG GLN A 17 8.769 -11.598 2.907 1.00 0.00 C ATOM 219 CD GLN A 17 9.632 -11.772 1.656 1.00 0.00 C ATOM 220 OE1 GLN A 17 9.145 -11.844 0.540 1.00 0.00 O ATOM 221 NE2 GLN A 17 10.937 -11.835 1.904 1.00 0.00 N ATOM 0 H GLN A 17 6.821 -9.835 5.446 1.00 0.00 H new ATOM 0 HA GLN A 17 9.524 -9.494 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.001 -10.363 2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.379 -9.665 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.389 -11.703 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.018 -12.387 2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.278 -11.768 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.597 -11.950 1.135 1.00 0.00 H new ATOM 230 N GLU A 18 9.040 -7.139 3.803 1.00 0.00 N ATOM 231 CA GLU A 18 8.805 -5.713 3.650 1.00 0.00 C ATOM 232 C GLU A 18 9.125 -5.273 2.220 1.00 0.00 C ATOM 233 O GLU A 18 10.221 -5.521 1.721 1.00 0.00 O ATOM 234 CB GLU A 18 9.621 -4.911 4.665 1.00 0.00 C ATOM 235 CG GLU A 18 9.015 -5.020 6.066 1.00 0.00 C ATOM 236 CD GLU A 18 10.108 -5.044 7.136 1.00 0.00 C ATOM 237 OE1 GLU A 18 10.679 -3.961 7.389 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.347 -6.145 7.679 1.00 0.00 O ATOM 0 H GLU A 18 10.016 -7.422 3.714 1.00 0.00 H new ATOM 0 HA GLU A 18 7.751 -5.516 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.648 -5.275 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.658 -3.865 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.346 -4.178 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.413 -5.926 6.136 1.00 0.00 H new ATOM 245 N TYR A 19 8.146 -4.628 1.601 1.00 0.00 N ATOM 246 CA TYR A 19 8.309 -4.152 0.238 1.00 0.00 C ATOM 247 C TYR A 19 8.540 -2.639 0.210 1.00 0.00 C ATOM 248 O TYR A 19 7.919 -1.899 0.971 1.00 0.00 O ATOM 249 CB TYR A 19 6.996 -4.469 -0.479 1.00 0.00 C ATOM 250 CG TYR A 19 6.780 -5.959 -0.752 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.273 -6.775 0.239 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.091 -6.487 -1.989 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.070 -8.178 -0.018 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.888 -7.889 -2.245 1.00 0.00 C ATOM 255 CZ TYR A 19 6.387 -8.665 -1.247 1.00 0.00 C ATOM 256 OH TYR A 19 6.195 -9.990 -1.489 1.00 0.00 O ATOM 0 H TYR A 19 7.238 -4.424 2.018 1.00 0.00 H new ATOM 0 HA TYR A 19 9.168 -4.627 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.167 -4.096 0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.971 -3.929 -1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.029 -6.362 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.487 -5.848 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.675 -8.828 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.128 -8.315 -3.208 1.00 0.00 H new ATOM 0 HH TYR A 19 5.515 -10.339 -0.876 1.00 0.00 H new ATOM 266 N SER A 20 9.434 -2.226 -0.676 1.00 0.00 N ATOM 267 CA SER A 20 9.754 -0.815 -0.813 1.00 0.00 C ATOM 268 C SER A 20 9.159 -0.267 -2.112 1.00 0.00 C ATOM 269 O SER A 20 9.528 -0.704 -3.201 1.00 0.00 O ATOM 270 CB SER A 20 11.267 -0.588 -0.786 1.00 0.00 C ATOM 271 OG SER A 20 11.943 -1.380 -1.758 1.00 0.00 O ATOM 0 H SER A 20 9.947 -2.843 -1.306 1.00 0.00 H new ATOM 0 HA SER A 20 9.318 -0.282 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.479 0.466 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.652 -0.825 0.206 1.00 0.00 H new ATOM 0 HG SER A 20 11.403 -1.427 -2.574 1.00 0.00 H new ATOM 277 N VAL A 21 8.247 0.681 -1.954 1.00 0.00 N ATOM 278 CA VAL A 21 7.597 1.293 -3.100 1.00 0.00 C ATOM 279 C VAL A 21 8.217 2.668 -3.359 1.00 0.00 C ATOM 280 O VAL A 21 7.991 3.608 -2.598 1.00 0.00 O ATOM 281 CB VAL A 21 6.085 1.352 -2.875 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.367 1.895 -4.112 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.536 -0.021 -2.481 1.00 0.00 C ATOM 0 H VAL A 21 7.943 1.040 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 21 7.755 0.691 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 21 5.896 2.039 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.294 1.926 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.727 2.901 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.568 1.245 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.459 0.048 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.743 -0.738 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.014 -0.353 -1.559 1.00 0.00 H new ATOM 293 N THR A 22 8.986 2.742 -4.435 1.00 0.00 N ATOM 294 CA THR A 22 9.640 3.986 -4.803 1.00 0.00 C ATOM 295 C THR A 22 9.656 4.151 -6.324 1.00 0.00 C ATOM 296 O THR A 22 10.621 4.666 -6.887 1.00 0.00 O ATOM 297 CB THR A 22 11.036 3.990 -4.177 1.00 0.00 C ATOM 298 OG1 THR A 22 11.770 3.051 -4.958 1.00 0.00 O ATOM 299 CG2 THR A 22 11.047 3.394 -2.768 1.00 0.00 C ATOM 0 H THR A 22 9.171 1.961 -5.064 1.00 0.00 H new ATOM 0 HA THR A 22 9.094 4.848 -4.420 1.00 0.00 H new ATOM 0 HB THR A 22 11.415 5.011 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.688 2.992 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.061 3.421 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.388 3.974 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.700 2.362 -2.807 1.00 0.00 H new ATOM 307 N THR A 23 8.576 3.703 -6.947 1.00 0.00 N ATOM 308 CA THR A 23 8.454 3.794 -8.392 1.00 0.00 C ATOM 309 C THR A 23 7.447 4.881 -8.775 1.00 0.00 C ATOM 310 O THR A 23 7.610 5.551 -9.793 1.00 0.00 O ATOM 311 CB THR A 23 8.082 2.408 -8.923 1.00 0.00 C ATOM 312 OG1 THR A 23 9.309 1.684 -8.894 1.00 0.00 O ATOM 313 CG2 THR A 23 7.699 2.432 -10.404 1.00 0.00 C ATOM 0 H THR A 23 7.777 3.276 -6.478 1.00 0.00 H new ATOM 0 HA THR A 23 9.397 4.092 -8.850 1.00 0.00 H new ATOM 0 HB THR A 23 7.253 2.007 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.159 0.772 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.444 1.424 -10.730 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.840 3.088 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.540 2.802 -10.991 1.00 0.00 H new ATOM 321 N LEU A 24 6.430 5.021 -7.938 1.00 0.00 N ATOM 322 CA LEU A 24 5.397 6.016 -8.176 1.00 0.00 C ATOM 323 C LEU A 24 5.652 7.233 -7.285 1.00 0.00 C ATOM 324 O LEU A 24 6.421 7.156 -6.328 1.00 0.00 O ATOM 325 CB LEU A 24 4.008 5.400 -7.994 1.00 0.00 C ATOM 326 CG LEU A 24 3.849 4.443 -6.810 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.448 4.548 -6.206 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.194 3.009 -7.215 1.00 0.00 C ATOM 0 H LEU A 24 6.299 4.463 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 24 5.433 6.364 -9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.286 6.208 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.747 4.864 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 24 4.556 4.737 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.361 3.858 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.277 5.567 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.706 4.294 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.073 2.349 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.529 2.687 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.226 2.967 -7.562 1.00 0.00 H new ATOM 340 N SER A 25 4.993 8.329 -7.632 1.00 0.00 N ATOM 341 CA SER A 25 5.139 9.561 -6.875 1.00 0.00 C ATOM 342 C SER A 25 3.762 10.095 -6.475 1.00 0.00 C ATOM 343 O SER A 25 2.741 9.483 -6.784 1.00 0.00 O ATOM 344 CB SER A 25 5.903 10.614 -7.680 1.00 0.00 C ATOM 345 OG SER A 25 7.062 10.070 -8.306 1.00 0.00 O ATOM 0 H SER A 25 4.357 8.390 -8.427 1.00 0.00 H new ATOM 0 HA SER A 25 5.713 9.344 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.246 11.037 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.197 11.431 -7.021 1.00 0.00 H new ATOM 0 HG SER A 25 7.521 10.773 -8.811 1.00 0.00 H new ATOM 351 N GLU A 26 3.779 11.231 -5.793 1.00 0.00 N ATOM 352 CA GLU A 26 2.544 11.855 -5.348 1.00 0.00 C ATOM 353 C GLU A 26 1.521 11.879 -6.485 1.00 0.00 C ATOM 354 O GLU A 26 0.359 11.528 -6.287 1.00 0.00 O ATOM 355 CB GLU A 26 2.804 13.264 -4.813 1.00 0.00 C ATOM 356 CG GLU A 26 3.742 13.229 -3.605 1.00 0.00 C ATOM 357 CD GLU A 26 4.982 14.092 -3.847 1.00 0.00 C ATOM 358 OE1 GLU A 26 5.565 13.952 -4.944 1.00 0.00 O ATOM 359 OE2 GLU A 26 5.318 14.872 -2.930 1.00 0.00 O ATOM 0 H GLU A 26 4.628 11.735 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 26 2.134 11.262 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.241 13.880 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.860 13.729 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.214 13.585 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.044 12.201 -3.404 1.00 0.00 H new ATOM 366 N ASP A 27 1.990 12.298 -7.651 1.00 0.00 N ATOM 367 CA ASP A 27 1.131 12.373 -8.820 1.00 0.00 C ATOM 368 C ASP A 27 0.244 11.127 -8.877 1.00 0.00 C ATOM 369 O ASP A 27 -0.981 11.232 -8.864 1.00 0.00 O ATOM 370 CB ASP A 27 1.956 12.425 -10.108 1.00 0.00 C ATOM 371 CG ASP A 27 3.121 13.415 -10.090 1.00 0.00 C ATOM 372 OD1 ASP A 27 2.835 14.627 -9.981 1.00 0.00 O ATOM 373 OD2 ASP A 27 4.273 12.938 -10.185 1.00 0.00 O ATOM 0 H ASP A 27 2.954 12.589 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 27 0.531 13.279 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.349 11.429 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.294 12.681 -10.935 1.00 0.00 H new ATOM 378 N ASP A 28 0.898 9.977 -8.938 1.00 0.00 N ATOM 379 CA ASP A 28 0.184 8.712 -8.996 1.00 0.00 C ATOM 380 C ASP A 28 -0.809 8.638 -7.835 1.00 0.00 C ATOM 381 O ASP A 28 -0.694 9.388 -6.866 1.00 0.00 O ATOM 382 CB ASP A 28 1.147 7.530 -8.871 1.00 0.00 C ATOM 383 CG ASP A 28 1.919 7.186 -10.147 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.197 8.133 -10.914 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.212 5.985 -10.326 1.00 0.00 O ATOM 0 H ASP A 28 1.915 9.894 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.330 8.658 -9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.863 7.747 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.582 6.652 -8.559 1.00 0.00 H new ATOM 390 N THR A 29 -1.762 7.728 -7.970 1.00 0.00 N ATOM 391 CA THR A 29 -2.774 7.546 -6.944 1.00 0.00 C ATOM 392 C THR A 29 -2.625 6.174 -6.285 1.00 0.00 C ATOM 393 O THR A 29 -1.820 5.354 -6.724 1.00 0.00 O ATOM 394 CB THR A 29 -4.145 7.765 -7.588 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.119 6.938 -8.748 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.311 9.181 -8.144 1.00 0.00 C ATOM 0 H THR A 29 -1.855 7.108 -8.775 1.00 0.00 H new ATOM 0 HA THR A 29 -2.657 8.272 -6.140 1.00 0.00 H new ATOM 0 HB THR A 29 -4.927 7.569 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.971 7.017 -9.226 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.300 9.283 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.200 9.904 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.551 9.365 -8.903 1.00 0.00 H new ATOM 404 N VAL A 30 -3.415 5.965 -5.241 1.00 0.00 N ATOM 405 CA VAL A 30 -3.381 4.706 -4.517 1.00 0.00 C ATOM 406 C VAL A 30 -3.480 3.547 -5.512 1.00 0.00 C ATOM 407 O VAL A 30 -2.721 2.583 -5.425 1.00 0.00 O ATOM 408 CB VAL A 30 -4.485 4.681 -3.459 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.556 3.315 -2.773 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.288 5.800 -2.434 1.00 0.00 C ATOM 0 H VAL A 30 -4.082 6.647 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.436 4.597 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.436 4.853 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.349 3.324 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.766 2.545 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.603 3.101 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.087 5.760 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.326 5.674 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.311 6.765 -2.940 1.00 0.00 H new ATOM 420 N LEU A 31 -4.421 3.681 -6.435 1.00 0.00 N ATOM 421 CA LEU A 31 -4.629 2.657 -7.445 1.00 0.00 C ATOM 422 C LEU A 31 -3.273 2.138 -7.926 1.00 0.00 C ATOM 423 O LEU A 31 -2.985 0.948 -7.816 1.00 0.00 O ATOM 424 CB LEU A 31 -5.519 3.188 -8.571 1.00 0.00 C ATOM 425 CG LEU A 31 -6.211 2.131 -9.434 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.301 1.405 -8.643 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.754 2.748 -10.725 1.00 0.00 C ATOM 0 H LEU A 31 -5.048 4.483 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.164 1.807 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.284 3.827 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.912 3.818 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.470 1.385 -9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.777 0.659 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.856 0.913 -7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.047 2.125 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.241 1.976 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.476 3.527 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.932 3.181 -11.295 1.00 0.00 H new ATOM 439 N ASP A 32 -2.475 3.058 -8.449 1.00 0.00 N ATOM 440 CA ASP A 32 -1.156 2.708 -8.947 1.00 0.00 C ATOM 441 C ASP A 32 -0.463 1.787 -7.941 1.00 0.00 C ATOM 442 O ASP A 32 -0.122 0.651 -8.268 1.00 0.00 O ATOM 443 CB ASP A 32 -0.286 3.954 -9.124 1.00 0.00 C ATOM 444 CG ASP A 32 -0.150 4.449 -10.565 1.00 0.00 C ATOM 445 OD1 ASP A 32 0.166 3.603 -11.428 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.365 5.664 -10.771 1.00 0.00 O ATOM 0 H ASP A 32 -2.717 4.045 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.280 2.214 -9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.702 4.758 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.709 3.742 -8.733 1.00 0.00 H new ATOM 451 N LEU A 33 -0.276 2.310 -6.739 1.00 0.00 N ATOM 452 CA LEU A 33 0.370 1.549 -5.683 1.00 0.00 C ATOM 453 C LEU A 33 -0.217 0.136 -5.648 1.00 0.00 C ATOM 454 O LEU A 33 0.508 -0.845 -5.807 1.00 0.00 O ATOM 455 CB LEU A 33 0.269 2.290 -4.349 1.00 0.00 C ATOM 456 CG LEU A 33 1.103 1.720 -3.200 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.560 2.174 -3.301 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.485 2.074 -1.846 1.00 0.00 C ATOM 0 H LEU A 33 -0.561 3.252 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 33 1.437 1.448 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.567 3.326 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.777 2.302 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 33 1.099 0.633 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.130 1.754 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.984 1.829 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.606 3.262 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.097 1.657 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.438 3.158 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.521 1.660 -1.786 1.00 0.00 H new ATOM 470 N LYS A 34 -1.524 0.078 -5.437 1.00 0.00 N ATOM 471 CA LYS A 34 -2.216 -1.198 -5.378 1.00 0.00 C ATOM 472 C LYS A 34 -1.842 -2.034 -6.604 1.00 0.00 C ATOM 473 O LYS A 34 -1.285 -3.123 -6.471 1.00 0.00 O ATOM 474 CB LYS A 34 -3.722 -0.984 -5.216 1.00 0.00 C ATOM 475 CG LYS A 34 -4.043 -0.338 -3.867 1.00 0.00 C ATOM 476 CD LYS A 34 -5.479 0.187 -3.838 1.00 0.00 C ATOM 477 CE LYS A 34 -6.209 -0.282 -2.577 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.668 -0.345 -2.817 1.00 0.00 N ATOM 0 H LYS A 34 -2.122 0.894 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.901 -1.761 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.092 -0.351 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.239 -1.940 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.902 -1.066 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.349 0.481 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.473 1.276 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.014 -0.159 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.840 -1.264 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.999 0.400 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.149 -0.665 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.018 0.599 -3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.864 -1.013 -3.589 1.00 0.00 H new ATOM 492 N GLN A 35 -2.162 -1.492 -7.770 1.00 0.00 N ATOM 493 CA GLN A 35 -1.866 -2.174 -9.018 1.00 0.00 C ATOM 494 C GLN A 35 -0.446 -2.742 -8.989 1.00 0.00 C ATOM 495 O GLN A 35 -0.189 -3.808 -9.547 1.00 0.00 O ATOM 496 CB GLN A 35 -2.058 -1.237 -10.213 1.00 0.00 C ATOM 497 CG GLN A 35 -3.542 -1.067 -10.544 1.00 0.00 C ATOM 498 CD GLN A 35 -4.199 -2.419 -10.827 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.543 -3.429 -11.020 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.528 -2.382 -10.842 1.00 0.00 N ATOM 0 H GLN A 35 -2.623 -0.589 -7.876 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.565 -3.003 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.617 -0.265 -9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.532 -1.636 -11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.050 -0.579 -9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.653 -0.416 -11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.016 -1.502 -10.672 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.060 -3.233 -11.023 1.00 0.00 H new ATOM 509 N PHE A 36 0.439 -2.006 -8.333 1.00 0.00 N ATOM 510 CA PHE A 36 1.826 -2.423 -8.224 1.00 0.00 C ATOM 511 C PHE A 36 1.999 -3.466 -7.118 1.00 0.00 C ATOM 512 O PHE A 36 2.761 -4.420 -7.273 1.00 0.00 O ATOM 513 CB PHE A 36 2.641 -1.179 -7.868 1.00 0.00 C ATOM 514 CG PHE A 36 4.147 -1.336 -8.090 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.615 -1.786 -9.285 1.00 0.00 C ATOM 516 CD2 PHE A 36 5.017 -1.026 -7.092 1.00 0.00 C ATOM 517 CE1 PHE A 36 6.012 -1.932 -9.490 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.414 -1.172 -7.297 1.00 0.00 C ATOM 519 CZ PHE A 36 6.882 -1.622 -8.492 1.00 0.00 C ATOM 0 H PHE A 36 0.222 -1.123 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 36 2.155 -2.869 -9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.282 -0.340 -8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.463 -0.927 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.924 -2.032 -10.078 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.645 -0.669 -6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.384 -2.289 -10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.105 -0.926 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.945 -1.733 -8.648 1.00 0.00 H new ATOM 529 N LEU A 37 1.281 -3.249 -6.027 1.00 0.00 N ATOM 530 CA LEU A 37 1.346 -4.158 -4.895 1.00 0.00 C ATOM 531 C LEU A 37 0.855 -5.541 -5.328 1.00 0.00 C ATOM 532 O LEU A 37 1.129 -6.538 -4.662 1.00 0.00 O ATOM 533 CB LEU A 37 0.583 -3.582 -3.700 1.00 0.00 C ATOM 534 CG LEU A 37 1.121 -2.266 -3.133 1.00 0.00 C ATOM 535 CD1 LEU A 37 -0.018 -1.386 -2.615 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.180 -2.525 -2.058 1.00 0.00 C ATOM 0 H LEU A 37 0.651 -2.457 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 37 2.377 -4.275 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.455 -3.430 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.582 -4.325 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 37 1.608 -1.719 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.392 -0.457 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.704 -1.160 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.555 -1.913 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.546 -1.574 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.739 -3.102 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.009 -3.084 -2.491 1.00 0.00 H new ATOM 548 N LYS A 38 0.138 -5.557 -6.442 1.00 0.00 N ATOM 549 CA LYS A 38 -0.394 -6.801 -6.972 1.00 0.00 C ATOM 550 C LYS A 38 0.735 -7.590 -7.638 1.00 0.00 C ATOM 551 O LYS A 38 0.677 -8.817 -7.715 1.00 0.00 O ATOM 552 CB LYS A 38 -1.580 -6.525 -7.899 1.00 0.00 C ATOM 553 CG LYS A 38 -2.128 -7.825 -8.490 1.00 0.00 C ATOM 554 CD LYS A 38 -3.391 -7.564 -9.313 1.00 0.00 C ATOM 555 CE LYS A 38 -3.228 -8.075 -10.745 1.00 0.00 C ATOM 556 NZ LYS A 38 -4.084 -7.302 -11.672 1.00 0.00 N ATOM 0 H LYS A 38 -0.087 -4.728 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.786 -7.421 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.367 -6.013 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.270 -5.858 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.369 -8.291 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.352 -8.528 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.243 -8.055 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.606 -6.495 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.185 -7.993 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.492 -9.132 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.961 -7.662 -12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.080 -7.401 -11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.813 -6.298 -11.639 1.00 0.00 H new ATOM 570 N THR A 39 1.735 -6.855 -8.100 1.00 0.00 N ATOM 571 CA THR A 39 2.876 -7.471 -8.757 1.00 0.00 C ATOM 572 C THR A 39 4.011 -7.694 -7.755 1.00 0.00 C ATOM 573 O THR A 39 4.881 -8.535 -7.974 1.00 0.00 O ATOM 574 CB THR A 39 3.274 -6.588 -9.941 1.00 0.00 C ATOM 575 OG1 THR A 39 3.705 -7.514 -10.935 1.00 0.00 O ATOM 576 CG2 THR A 39 4.519 -5.747 -9.651 1.00 0.00 C ATOM 0 H THR A 39 1.779 -5.838 -8.033 1.00 0.00 H new ATOM 0 HA THR A 39 2.625 -8.460 -9.142 1.00 0.00 H new ATOM 0 HB THR A 39 2.444 -5.931 -10.199 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.980 -7.026 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.759 -5.139 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.328 -5.097 -8.797 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.358 -6.405 -9.426 1.00 0.00 H new ATOM 584 N LEU A 40 3.966 -6.924 -6.678 1.00 0.00 N ATOM 585 CA LEU A 40 4.980 -7.026 -5.642 1.00 0.00 C ATOM 586 C LEU A 40 4.745 -8.299 -4.828 1.00 0.00 C ATOM 587 O LEU A 40 5.637 -9.137 -4.706 1.00 0.00 O ATOM 588 CB LEU A 40 5.011 -5.752 -4.796 1.00 0.00 C ATOM 589 CG LEU A 40 5.724 -4.550 -5.419 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.370 -3.258 -4.679 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.235 -4.779 -5.480 1.00 0.00 C ATOM 0 H LEU A 40 3.243 -6.227 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 40 5.972 -7.110 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.984 -5.464 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.493 -5.982 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 40 5.373 -4.440 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.890 -2.419 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.294 -3.092 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.673 -3.342 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.717 -3.910 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.621 -4.930 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.445 -5.661 -6.085 1.00 0.00 H new ATOM 603 N THR A 41 3.538 -8.406 -4.291 1.00 0.00 N ATOM 604 CA THR A 41 3.174 -9.563 -3.491 1.00 0.00 C ATOM 605 C THR A 41 2.588 -10.662 -4.380 1.00 0.00 C ATOM 606 O THR A 41 3.133 -11.762 -4.454 1.00 0.00 O ATOM 607 CB THR A 41 2.218 -9.097 -2.392 1.00 0.00 C ATOM 608 OG1 THR A 41 1.093 -8.588 -3.103 1.00 0.00 O ATOM 609 CG2 THR A 41 2.753 -7.885 -1.626 1.00 0.00 C ATOM 0 H THR A 41 2.800 -7.710 -4.394 1.00 0.00 H new ATOM 0 HA THR A 41 4.049 -10.005 -3.014 1.00 0.00 H new ATOM 0 HB THR A 41 2.038 -9.917 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.248 -7.647 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.036 -7.595 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.703 -8.141 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.901 -7.055 -2.316 1.00 0.00 H new ATOM 617 N GLY A 42 1.485 -10.326 -5.033 1.00 0.00 N ATOM 618 CA GLY A 42 0.819 -11.270 -5.913 1.00 0.00 C ATOM 619 C GLY A 42 -0.620 -11.522 -5.459 1.00 0.00 C ATOM 620 O GLY A 42 -1.109 -12.649 -5.532 1.00 0.00 O ATOM 0 H GLY A 42 1.036 -9.412 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.820 -10.885 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.370 -12.211 -5.927 1.00 0.00 H new ATOM 624 N VAL A 43 -1.258 -10.455 -5.001 1.00 0.00 N ATOM 625 CA VAL A 43 -2.631 -10.547 -4.535 1.00 0.00 C ATOM 626 C VAL A 43 -3.450 -9.409 -5.147 1.00 0.00 C ATOM 627 O VAL A 43 -2.952 -8.294 -5.301 1.00 0.00 O ATOM 628 CB VAL A 43 -2.665 -10.552 -3.005 1.00 0.00 C ATOM 629 CG1 VAL A 43 -4.105 -10.501 -2.489 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.925 -11.768 -2.444 1.00 0.00 C ATOM 0 H VAL A 43 -0.849 -9.522 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.083 -11.484 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.151 -9.656 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.101 -10.506 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.588 -9.591 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.653 -11.370 -2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.964 -11.747 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.398 -12.681 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.885 -11.743 -2.770 1.00 0.00 H new ATOM 640 N LEU A 44 -4.691 -9.729 -5.481 1.00 0.00 N ATOM 641 CA LEU A 44 -5.584 -8.747 -6.074 1.00 0.00 C ATOM 642 C LEU A 44 -5.559 -7.469 -5.233 1.00 0.00 C ATOM 643 O LEU A 44 -5.283 -7.515 -4.035 1.00 0.00 O ATOM 644 CB LEU A 44 -6.984 -9.337 -6.256 1.00 0.00 C ATOM 645 CG LEU A 44 -7.075 -10.590 -7.128 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.497 -11.156 -7.127 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.571 -10.311 -8.545 1.00 0.00 C ATOM 0 H LEU A 44 -5.100 -10.655 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.245 -8.478 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.388 -9.573 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.627 -8.570 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.424 -11.352 -6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.535 -12.046 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.784 -11.417 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.187 -10.408 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.647 -11.219 -9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.176 -9.526 -8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.530 -9.989 -8.504 1.00 0.00 H new ATOM 659 N PRO A 45 -5.860 -6.329 -5.911 1.00 0.00 N ATOM 660 CA PRO A 45 -5.875 -5.041 -5.239 1.00 0.00 C ATOM 661 C PRO A 45 -7.123 -4.892 -4.366 1.00 0.00 C ATOM 662 O PRO A 45 -7.056 -4.339 -3.270 1.00 0.00 O ATOM 663 CB PRO A 45 -5.806 -4.013 -6.357 1.00 0.00 C ATOM 664 CG PRO A 45 -6.223 -4.746 -7.622 1.00 0.00 C ATOM 665 CD PRO A 45 -6.192 -6.237 -7.329 1.00 0.00 C ATOM 0 HA PRO A 45 -5.040 -4.917 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.470 -3.172 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.799 -3.608 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.222 -4.438 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.548 -4.504 -8.443 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.155 -6.702 -7.541 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.449 -6.746 -7.943 1.00 0.00 H new ATOM 673 N GLU A 46 -8.233 -5.396 -4.886 1.00 0.00 N ATOM 674 CA GLU A 46 -9.494 -5.326 -4.168 1.00 0.00 C ATOM 675 C GLU A 46 -9.419 -6.150 -2.881 1.00 0.00 C ATOM 676 O GLU A 46 -9.926 -5.732 -1.841 1.00 0.00 O ATOM 677 CB GLU A 46 -10.654 -5.791 -5.050 1.00 0.00 C ATOM 678 CG GLU A 46 -10.568 -7.294 -5.322 1.00 0.00 C ATOM 679 CD GLU A 46 -11.481 -7.695 -6.482 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.346 -7.067 -7.554 1.00 0.00 O ATOM 681 OE2 GLU A 46 -12.294 -8.621 -6.271 1.00 0.00 O ATOM 0 H GLU A 46 -8.285 -5.854 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.679 -4.286 -3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.601 -5.560 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.639 -5.246 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.538 -7.567 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.850 -7.846 -4.425 1.00 0.00 H new ATOM 688 N ARG A 47 -8.783 -7.307 -2.994 1.00 0.00 N ATOM 689 CA ARG A 47 -8.635 -8.194 -1.853 1.00 0.00 C ATOM 690 C ARG A 47 -7.528 -7.686 -0.926 1.00 0.00 C ATOM 691 O ARG A 47 -7.614 -7.841 0.291 1.00 0.00 O ATOM 692 CB ARG A 47 -8.301 -9.618 -2.302 1.00 0.00 C ATOM 693 CG ARG A 47 -9.453 -10.224 -3.105 1.00 0.00 C ATOM 694 CD ARG A 47 -9.993 -11.483 -2.424 1.00 0.00 C ATOM 695 NE ARG A 47 -11.472 -11.440 -2.379 1.00 0.00 N ATOM 696 CZ ARG A 47 -12.265 -11.786 -3.402 1.00 0.00 C ATOM 697 NH1 ARG A 47 -11.726 -12.204 -4.556 1.00 0.00 N ATOM 698 NH2 ARG A 47 -13.597 -11.715 -3.272 1.00 0.00 N ATOM 0 H ARG A 47 -8.364 -7.650 -3.858 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.585 -8.207 -1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.395 -9.609 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.094 -10.239 -1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.253 -9.491 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.111 -10.468 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.663 -12.369 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.592 -11.560 -1.413 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.915 -11.127 -1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.712 -12.259 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.330 -12.467 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.008 -11.397 -2.394 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.200 -11.979 -4.051 1.00 0.00 H new ATOM 712 N GLN A 48 -6.515 -7.090 -1.537 1.00 0.00 N ATOM 713 CA GLN A 48 -5.394 -6.559 -0.782 1.00 0.00 C ATOM 714 C GLN A 48 -5.890 -5.598 0.300 1.00 0.00 C ATOM 715 O GLN A 48 -6.573 -4.619 0.001 1.00 0.00 O ATOM 716 CB GLN A 48 -4.387 -5.871 -1.706 1.00 0.00 C ATOM 717 CG GLN A 48 -3.211 -6.798 -2.023 1.00 0.00 C ATOM 718 CD GLN A 48 -2.056 -6.020 -2.656 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.964 -5.934 -2.119 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.356 -5.461 -3.825 1.00 0.00 N ATOM 0 H GLN A 48 -6.447 -6.963 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.883 -7.390 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.881 -5.575 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.019 -4.959 -1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.869 -7.284 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.537 -7.587 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.290 -5.572 -4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.652 -4.921 -4.328 1.00 0.00 H new ATOM 729 N LYS A 49 -5.527 -5.910 1.536 1.00 0.00 N ATOM 730 CA LYS A 49 -5.928 -5.086 2.664 1.00 0.00 C ATOM 731 C LYS A 49 -4.739 -4.235 3.115 1.00 0.00 C ATOM 732 O LYS A 49 -3.751 -4.762 3.625 1.00 0.00 O ATOM 733 CB LYS A 49 -6.521 -5.953 3.776 1.00 0.00 C ATOM 734 CG LYS A 49 -7.914 -5.460 4.171 1.00 0.00 C ATOM 735 CD LYS A 49 -7.829 -4.390 5.261 1.00 0.00 C ATOM 736 CE LYS A 49 -7.168 -3.117 4.729 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.744 -1.921 5.383 1.00 0.00 N ATOM 0 H LYS A 49 -4.960 -6.722 1.781 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.721 -4.398 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.579 -6.989 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.864 -5.934 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.421 -5.053 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.513 -6.299 4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.829 -4.159 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.260 -4.773 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.094 -3.155 4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.308 -3.051 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.029 -1.166 5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.569 -1.592 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.039 -2.163 6.350 1.00 0.00 H new ATOM 751 N LEU A 50 -4.873 -2.933 2.911 1.00 0.00 N ATOM 752 CA LEU A 50 -3.823 -2.003 3.290 1.00 0.00 C ATOM 753 C LEU A 50 -4.108 -1.463 4.693 1.00 0.00 C ATOM 754 O LEU A 50 -5.022 -0.661 4.879 1.00 0.00 O ATOM 755 CB LEU A 50 -3.665 -0.911 2.230 1.00 0.00 C ATOM 756 CG LEU A 50 -3.466 -1.394 0.793 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.029 -0.245 -0.117 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.489 -2.570 0.740 1.00 0.00 C ATOM 0 H LEU A 50 -5.694 -2.500 2.488 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.860 -2.513 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.549 -0.274 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.814 -0.287 2.504 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.424 -1.754 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.895 -0.616 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.793 0.533 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.088 0.168 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.365 -2.894 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.524 -2.260 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.880 -3.395 1.335 1.00 0.00 H new ATOM 770 N LEU A 51 -3.308 -1.924 5.643 1.00 0.00 N ATOM 771 CA LEU A 51 -3.463 -1.497 7.024 1.00 0.00 C ATOM 772 C LEU A 51 -2.460 -0.381 7.323 1.00 0.00 C ATOM 773 O LEU A 51 -1.253 -0.615 7.342 1.00 0.00 O ATOM 774 CB LEU A 51 -3.352 -2.694 7.970 1.00 0.00 C ATOM 775 CG LEU A 51 -4.611 -3.036 8.770 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.652 -3.724 7.885 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.267 -3.870 10.005 1.00 0.00 C ATOM 0 H LEU A 51 -2.551 -2.589 5.484 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.458 -1.083 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.068 -3.569 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.540 -2.503 8.672 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.054 -2.105 9.124 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.537 -3.956 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.928 -3.061 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.234 -4.646 7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.180 -4.099 10.555 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.788 -4.799 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.588 -3.308 10.646 1.00 0.00 H new ATOM 789 N GLY A 52 -2.998 0.808 7.551 1.00 0.00 N ATOM 790 CA GLY A 52 -2.165 1.961 7.849 1.00 0.00 C ATOM 791 C GLY A 52 -2.655 3.201 7.098 1.00 0.00 C ATOM 792 O GLY A 52 -2.877 4.249 7.701 1.00 0.00 O ATOM 0 H GLY A 52 -4.000 0.998 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.175 2.154 8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.132 1.749 7.573 1.00 0.00 H new ATOM 796 N LEU A 53 -2.810 3.039 5.792 1.00 0.00 N ATOM 797 CA LEU A 53 -3.270 4.132 4.952 1.00 0.00 C ATOM 798 C LEU A 53 -4.799 4.176 4.972 1.00 0.00 C ATOM 799 O LEU A 53 -5.454 3.480 4.197 1.00 0.00 O ATOM 800 CB LEU A 53 -2.677 4.014 3.546 1.00 0.00 C ATOM 801 CG LEU A 53 -1.149 4.005 3.462 1.00 0.00 C ATOM 802 CD1 LEU A 53 -0.646 2.748 2.750 1.00 0.00 C ATOM 803 CD2 LEU A 53 -0.630 5.284 2.801 1.00 0.00 C ATOM 0 H LEU A 53 -2.625 2.168 5.295 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.918 5.087 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.052 3.097 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.049 4.844 2.945 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.751 3.981 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.443 2.767 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.971 1.864 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.051 2.716 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.459 5.253 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.035 5.362 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.943 6.149 3.386 1.00 0.00 H new ATOM 815 N LYS A 54 -5.324 5.001 5.866 1.00 0.00 N ATOM 816 CA LYS A 54 -6.763 5.145 5.997 1.00 0.00 C ATOM 817 C LYS A 54 -7.104 6.617 6.241 1.00 0.00 C ATOM 818 O LYS A 54 -6.212 7.439 6.442 1.00 0.00 O ATOM 819 CB LYS A 54 -7.300 4.203 7.077 1.00 0.00 C ATOM 820 CG LYS A 54 -7.848 4.990 8.269 1.00 0.00 C ATOM 821 CD LYS A 54 -8.020 4.085 9.491 1.00 0.00 C ATOM 822 CE LYS A 54 -8.072 4.908 10.780 1.00 0.00 C ATOM 823 NZ LYS A 54 -6.885 4.632 11.619 1.00 0.00 N ATOM 0 H LYS A 54 -4.778 5.577 6.507 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.261 4.850 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.087 3.575 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.505 3.537 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.171 5.809 8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.807 5.437 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.936 3.502 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.194 3.375 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.115 5.970 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.980 4.670 11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.936 5.198 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.861 3.622 11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.023 4.882 11.094 1.00 0.00 H new ATOM 837 N VAL A 55 -8.398 6.903 6.216 1.00 0.00 N ATOM 838 CA VAL A 55 -8.867 8.261 6.431 1.00 0.00 C ATOM 839 C VAL A 55 -9.941 8.258 7.521 1.00 0.00 C ATOM 840 O VAL A 55 -11.117 8.032 7.238 1.00 0.00 O ATOM 841 CB VAL A 55 -9.356 8.862 5.111 1.00 0.00 C ATOM 842 CG1 VAL A 55 -10.051 10.205 5.344 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.205 9.005 4.114 1.00 0.00 C ATOM 0 H VAL A 55 -9.135 6.218 6.050 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.052 8.896 6.779 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.087 8.177 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.389 10.610 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.909 10.062 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.352 10.901 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.580 9.434 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.440 9.658 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.774 8.024 3.913 1.00 0.00 H new ATOM 853 N LYS A 56 -9.499 8.512 8.744 1.00 0.00 N ATOM 854 CA LYS A 56 -10.408 8.541 9.877 1.00 0.00 C ATOM 855 C LYS A 56 -11.433 7.415 9.732 1.00 0.00 C ATOM 856 O LYS A 56 -12.626 7.672 9.581 1.00 0.00 O ATOM 857 CB LYS A 56 -11.035 9.928 10.025 1.00 0.00 C ATOM 858 CG LYS A 56 -9.961 10.995 10.247 1.00 0.00 C ATOM 859 CD LYS A 56 -10.524 12.188 11.023 1.00 0.00 C ATOM 860 CE LYS A 56 -10.907 13.327 10.076 1.00 0.00 C ATOM 861 NZ LYS A 56 -12.214 13.054 9.438 1.00 0.00 N ATOM 0 H LYS A 56 -8.523 8.700 8.975 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.866 8.361 10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.611 10.168 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.732 9.928 10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.123 10.564 10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.574 11.332 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.398 11.875 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.784 12.541 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.954 14.266 10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.140 13.445 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.522 13.893 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.122 12.247 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.918 12.830 10.170 1.00 0.00 H new ATOM 875 N GLY A 57 -10.930 6.190 9.784 1.00 0.00 N ATOM 876 CA GLY A 57 -11.788 5.023 9.660 1.00 0.00 C ATOM 877 C GLY A 57 -11.571 4.323 8.317 1.00 0.00 C ATOM 878 O GLY A 57 -10.791 3.377 8.224 1.00 0.00 O ATOM 0 H GLY A 57 -9.940 5.980 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.582 4.328 10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.832 5.323 9.753 1.00 0.00 H new ATOM 882 N LYS A 58 -12.275 4.817 7.309 1.00 0.00 N ATOM 883 CA LYS A 58 -12.170 4.250 5.975 1.00 0.00 C ATOM 884 C LYS A 58 -11.096 5.005 5.188 1.00 0.00 C ATOM 885 O LYS A 58 -10.920 6.209 5.369 1.00 0.00 O ATOM 886 CB LYS A 58 -13.538 4.236 5.289 1.00 0.00 C ATOM 887 CG LYS A 58 -14.548 3.420 6.098 1.00 0.00 C ATOM 888 CD LYS A 58 -15.103 2.259 5.271 1.00 0.00 C ATOM 889 CE LYS A 58 -16.455 2.623 4.653 1.00 0.00 C ATOM 890 NZ LYS A 58 -16.933 1.532 3.774 1.00 0.00 N ATOM 0 H LYS A 58 -12.920 5.603 7.389 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.855 3.208 6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.901 5.257 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.443 3.815 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.071 3.034 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.366 4.064 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.397 1.999 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.213 1.378 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.184 2.809 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.363 3.546 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.851 1.795 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.244 1.374 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.040 0.660 4.330 1.00 0.00 H new ATOM 904 N PRO A 59 -10.388 4.246 4.309 1.00 0.00 N ATOM 905 CA PRO A 59 -9.336 4.831 3.495 1.00 0.00 C ATOM 906 C PRO A 59 -9.924 5.664 2.355 1.00 0.00 C ATOM 907 O PRO A 59 -11.135 5.658 2.137 1.00 0.00 O ATOM 908 CB PRO A 59 -8.515 3.649 3.005 1.00 0.00 C ATOM 909 CG PRO A 59 -9.402 2.426 3.176 1.00 0.00 C ATOM 910 CD PRO A 59 -10.569 2.818 4.069 1.00 0.00 C ATOM 0 HA PRO A 59 -8.712 5.529 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.226 3.779 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.595 3.547 3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.762 2.077 2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.839 1.605 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.524 2.616 3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.560 2.255 5.002 1.00 0.00 H new ATOM 918 N ALA A 60 -9.040 6.362 1.657 1.00 0.00 N ATOM 919 CA ALA A 60 -9.456 7.199 0.545 1.00 0.00 C ATOM 920 C ALA A 60 -9.632 6.331 -0.703 1.00 0.00 C ATOM 921 O ALA A 60 -9.204 5.178 -0.727 1.00 0.00 O ATOM 922 CB ALA A 60 -8.434 8.318 0.337 1.00 0.00 C ATOM 0 H ALA A 60 -8.037 6.365 1.840 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.416 7.670 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.747 8.946 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.368 8.923 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.458 7.884 0.119 1.00 0.00 H new ATOM 928 N GLU A 61 -10.262 6.919 -1.710 1.00 0.00 N ATOM 929 CA GLU A 61 -10.499 6.214 -2.958 1.00 0.00 C ATOM 930 C GLU A 61 -9.173 5.764 -3.574 1.00 0.00 C ATOM 931 O GLU A 61 -8.105 6.185 -3.132 1.00 0.00 O ATOM 932 CB GLU A 61 -11.292 7.082 -3.936 1.00 0.00 C ATOM 933 CG GLU A 61 -12.671 7.427 -3.370 1.00 0.00 C ATOM 934 CD GLU A 61 -13.766 6.607 -4.056 1.00 0.00 C ATOM 935 OE1 GLU A 61 -14.247 7.074 -5.111 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.097 5.532 -3.510 1.00 0.00 O ATOM 0 H GLU A 61 -10.615 7.876 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.096 5.328 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.740 7.999 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.405 6.557 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.686 7.235 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.868 8.490 -3.506 1.00 0.00 H new ATOM 943 N ASN A 62 -9.284 4.916 -4.586 1.00 0.00 N ATOM 944 CA ASN A 62 -8.107 4.405 -5.267 1.00 0.00 C ATOM 945 C ASN A 62 -7.563 5.480 -6.211 1.00 0.00 C ATOM 946 O ASN A 62 -6.356 5.567 -6.428 1.00 0.00 O ATOM 947 CB ASN A 62 -8.447 3.170 -6.103 1.00 0.00 C ATOM 948 CG ASN A 62 -9.603 3.459 -7.063 1.00 0.00 C ATOM 949 OD1 ASN A 62 -9.425 3.983 -8.150 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.794 3.088 -6.602 1.00 0.00 N ATOM 0 H ASN A 62 -10.171 4.570 -4.951 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.370 4.136 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.570 2.857 -6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.714 2.343 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.629 3.237 -7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.872 2.654 -5.682 1.00 0.00 H new ATOM 957 N ASP A 63 -8.481 6.271 -6.747 1.00 0.00 N ATOM 958 CA ASP A 63 -8.109 7.336 -7.662 1.00 0.00 C ATOM 959 C ASP A 63 -7.838 8.615 -6.867 1.00 0.00 C ATOM 960 O ASP A 63 -8.276 9.697 -7.256 1.00 0.00 O ATOM 961 CB ASP A 63 -9.235 7.627 -8.656 1.00 0.00 C ATOM 962 CG ASP A 63 -8.801 8.353 -9.931 1.00 0.00 C ATOM 963 OD1 ASP A 63 -7.592 8.657 -10.027 1.00 0.00 O ATOM 964 OD2 ASP A 63 -9.687 8.588 -10.781 1.00 0.00 O ATOM 0 H ASP A 63 -9.482 6.195 -6.565 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.221 7.017 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.705 6.684 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.995 8.227 -8.155 1.00 0.00 H new ATOM 969 N VAL A 64 -7.118 8.449 -5.767 1.00 0.00 N ATOM 970 CA VAL A 64 -6.784 9.577 -4.914 1.00 0.00 C ATOM 971 C VAL A 64 -5.282 9.852 -5.005 1.00 0.00 C ATOM 972 O VAL A 64 -4.491 8.935 -5.221 1.00 0.00 O ATOM 973 CB VAL A 64 -7.257 9.309 -3.484 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.356 10.012 -2.467 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.718 9.726 -3.303 1.00 0.00 C ATOM 0 H VAL A 64 -6.757 7.550 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.300 10.476 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.190 8.236 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.715 9.805 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.335 9.646 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.376 11.087 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.029 9.525 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.821 10.791 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.346 9.160 -3.991 1.00 0.00 H new ATOM 985 N LYS A 65 -4.934 11.119 -4.836 1.00 0.00 N ATOM 986 CA LYS A 65 -3.540 11.527 -4.896 1.00 0.00 C ATOM 987 C LYS A 65 -2.864 11.216 -3.559 1.00 0.00 C ATOM 988 O LYS A 65 -3.196 11.816 -2.537 1.00 0.00 O ATOM 989 CB LYS A 65 -3.429 12.994 -5.315 1.00 0.00 C ATOM 990 CG LYS A 65 -3.051 13.115 -6.793 1.00 0.00 C ATOM 991 CD LYS A 65 -1.628 13.652 -6.953 1.00 0.00 C ATOM 992 CE LYS A 65 -1.615 14.932 -7.789 1.00 0.00 C ATOM 993 NZ LYS A 65 -0.350 15.673 -7.585 1.00 0.00 N ATOM 0 H LYS A 65 -5.593 11.877 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.010 10.960 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.378 13.500 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.680 13.495 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.132 12.140 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.753 13.778 -7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.198 13.851 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.002 12.897 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.732 14.685 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.461 15.562 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.140 16.241 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.444 16.300 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.425 14.999 -7.420 1.00 0.00 H new ATOM 1007 N LEU A 66 -1.929 10.279 -3.609 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.203 9.882 -2.414 1.00 0.00 C ATOM 1009 C LEU A 66 -0.585 11.120 -1.763 1.00 0.00 C ATOM 1010 O LEU A 66 -0.293 11.117 -0.568 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.186 8.787 -2.744 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.760 7.486 -3.309 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.065 6.994 -4.499 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.882 6.422 -2.217 1.00 0.00 C ATOM 0 H LEU A 66 -1.657 9.783 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.883 9.444 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.529 9.188 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.371 8.551 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.766 7.687 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.364 6.068 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.057 7.750 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.092 6.813 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.292 5.507 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.103 6.217 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.544 6.783 -1.430 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.403 12.149 -2.577 1.00 0.00 N ATOM 1027 CA GLY A 67 0.176 13.392 -2.095 1.00 0.00 C ATOM 1028 C GLY A 67 -0.837 14.183 -1.264 1.00 0.00 C ATOM 1029 O GLY A 67 -0.503 14.702 -0.200 1.00 0.00 O ATOM 0 H GLY A 67 -0.646 12.148 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.058 13.177 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.508 13.995 -2.940 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.055 14.249 -1.782 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.119 14.968 -1.102 1.00 0.00 C ATOM 1035 C ALA A 68 -3.183 14.514 0.358 1.00 0.00 C ATOM 1036 O ALA A 68 -3.427 15.322 1.253 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.440 14.744 -1.840 1.00 0.00 C ATOM 0 H ALA A 68 -2.328 13.816 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.921 16.040 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.238 15.283 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.352 15.109 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.673 13.679 -1.854 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.958 13.223 0.554 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.987 12.652 1.890 1.00 0.00 C ATOM 1045 C LEU A 69 -1.811 13.202 2.700 1.00 0.00 C ATOM 1046 O LEU A 69 -1.903 13.339 3.918 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.025 11.124 1.819 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.416 10.489 1.764 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.343 11.109 2.812 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.004 10.578 0.355 1.00 0.00 C ATOM 0 H LEU A 69 -2.755 12.556 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.898 12.946 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.468 10.807 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.500 10.727 2.688 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.318 9.431 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.325 10.640 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.926 10.951 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.439 12.179 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.993 10.119 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.086 11.624 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.353 10.054 -0.345 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.733 13.500 1.990 1.00 0.00 N ATOM 1063 CA LYS A 70 0.459 14.032 2.627 1.00 0.00 C ATOM 1064 C LYS A 70 0.884 13.098 3.763 1.00 0.00 C ATOM 1065 O LYS A 70 0.946 13.511 4.920 1.00 0.00 O ATOM 1066 CB LYS A 70 0.230 15.477 3.073 1.00 0.00 C ATOM 1067 CG LYS A 70 0.827 16.463 2.066 1.00 0.00 C ATOM 1068 CD LYS A 70 2.355 16.481 2.157 1.00 0.00 C ATOM 1069 CE LYS A 70 2.933 17.686 1.413 1.00 0.00 C ATOM 1070 NZ LYS A 70 2.643 17.590 -0.035 1.00 0.00 N ATOM 0 H LYS A 70 -0.660 13.383 0.979 1.00 0.00 H new ATOM 0 HA LYS A 70 1.285 14.070 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.839 15.663 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.681 15.635 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.522 16.187 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.436 17.463 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.660 16.514 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.759 15.561 1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.509 18.606 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.010 17.736 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.128 18.360 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.980 16.675 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.617 17.667 -0.190 1.00 0.00 H new ATOM 1084 N LEU A 71 1.165 11.858 3.392 1.00 0.00 N ATOM 1085 CA LEU A 71 1.582 10.862 4.366 1.00 0.00 C ATOM 1086 C LEU A 71 3.064 11.062 4.690 1.00 0.00 C ATOM 1087 O LEU A 71 3.711 11.949 4.135 1.00 0.00 O ATOM 1088 CB LEU A 71 1.246 9.455 3.870 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.212 9.213 3.473 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.303 8.549 2.099 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -0.947 8.410 4.549 1.00 0.00 C ATOM 0 H LEU A 71 1.112 11.520 2.431 1.00 0.00 H new ATOM 0 HA LEU A 71 1.031 10.986 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.877 9.234 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.512 8.743 4.651 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.710 10.179 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.350 8.388 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.160 9.194 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.216 7.591 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.981 8.252 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.456 7.446 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.928 8.960 5.490 1.00 0.00 H new ATOM 1103 N LYS A 72 3.559 10.223 5.589 1.00 0.00 N ATOM 1104 CA LYS A 72 4.952 10.297 5.994 1.00 0.00 C ATOM 1105 C LYS A 72 5.800 9.446 5.047 1.00 0.00 C ATOM 1106 O LYS A 72 5.288 8.535 4.398 1.00 0.00 O ATOM 1107 CB LYS A 72 5.102 9.912 7.467 1.00 0.00 C ATOM 1108 CG LYS A 72 4.276 10.837 8.363 1.00 0.00 C ATOM 1109 CD LYS A 72 4.550 10.557 9.842 1.00 0.00 C ATOM 1110 CE LYS A 72 3.727 9.366 10.335 1.00 0.00 C ATOM 1111 NZ LYS A 72 2.675 9.815 11.274 1.00 0.00 N ATOM 0 H LYS A 72 3.020 9.489 6.048 1.00 0.00 H new ATOM 0 HA LYS A 72 5.318 11.321 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.782 8.880 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.152 9.964 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.514 11.876 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.215 10.700 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.611 10.355 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.309 11.440 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.271 8.855 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.379 8.645 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.126 8.994 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.116 10.282 12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.043 10.485 10.792 1.00 0.00 H new ATOM 1125 N PRO A 73 7.117 9.782 4.995 1.00 0.00 N ATOM 1126 CA PRO A 73 8.041 9.059 4.138 1.00 0.00 C ATOM 1127 C PRO A 73 8.378 7.688 4.728 1.00 0.00 C ATOM 1128 O PRO A 73 8.250 7.479 5.933 1.00 0.00 O ATOM 1129 CB PRO A 73 9.253 9.966 4.013 1.00 0.00 C ATOM 1130 CG PRO A 73 9.161 10.947 5.170 1.00 0.00 C ATOM 1131 CD PRO A 73 7.759 10.855 5.749 1.00 0.00 C ATOM 0 HA PRO A 73 7.621 8.841 3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.178 9.391 4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.252 10.489 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.905 10.710 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.367 11.961 4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.785 10.629 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.221 11.796 5.635 1.00 0.00 H new ATOM 1139 N ASN A 74 8.802 6.790 3.851 1.00 0.00 N ATOM 1140 CA ASN A 74 9.158 5.445 4.270 1.00 0.00 C ATOM 1141 C ASN A 74 8.129 4.942 5.284 1.00 0.00 C ATOM 1142 O ASN A 74 8.469 4.195 6.200 1.00 0.00 O ATOM 1143 CB ASN A 74 10.533 5.424 4.941 1.00 0.00 C ATOM 1144 CG ASN A 74 10.707 6.624 5.874 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.945 7.743 5.450 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.575 6.330 7.164 1.00 0.00 N ATOM 0 H ASN A 74 8.907 6.967 2.852 1.00 0.00 H new ATOM 0 HA ASN A 74 9.179 4.810 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.652 4.499 5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.313 5.435 4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.673 7.063 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.376 5.372 7.451 1.00 0.00 H new ATOM 1153 N THR A 75 6.892 5.372 5.086 1.00 0.00 N ATOM 1154 CA THR A 75 5.811 4.974 5.972 1.00 0.00 C ATOM 1155 C THR A 75 5.582 3.464 5.890 1.00 0.00 C ATOM 1156 O THR A 75 4.944 2.979 4.957 1.00 0.00 O ATOM 1157 CB THR A 75 4.574 5.797 5.608 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.790 7.051 6.248 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.299 5.260 6.262 1.00 0.00 C ATOM 0 H THR A 75 6.614 5.992 4.325 1.00 0.00 H new ATOM 0 HA THR A 75 6.059 5.177 7.014 1.00 0.00 H new ATOM 0 HB THR A 75 4.451 5.805 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.388 7.766 5.711 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.452 5.880 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.127 4.234 5.936 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.409 5.282 7.346 1.00 0.00 H new ATOM 1167 N LYS A 76 6.115 2.761 6.879 1.00 0.00 N ATOM 1168 CA LYS A 76 5.977 1.316 6.930 1.00 0.00 C ATOM 1169 C LYS A 76 4.534 0.958 7.290 1.00 0.00 C ATOM 1170 O LYS A 76 4.143 1.039 8.454 1.00 0.00 O ATOM 1171 CB LYS A 76 7.015 0.711 7.877 1.00 0.00 C ATOM 1172 CG LYS A 76 8.426 1.183 7.518 1.00 0.00 C ATOM 1173 CD LYS A 76 9.260 1.426 8.777 1.00 0.00 C ATOM 1174 CE LYS A 76 8.928 2.783 9.400 1.00 0.00 C ATOM 1175 NZ LYS A 76 9.989 3.191 10.349 1.00 0.00 N ATOM 0 H LYS A 76 6.643 3.166 7.652 1.00 0.00 H new ATOM 0 HA LYS A 76 6.180 0.880 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.784 0.993 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.968 -0.377 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.915 0.436 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.368 2.101 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.072 0.633 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.321 1.385 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.824 3.534 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.970 2.728 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.748 4.114 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.069 2.482 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.896 3.263 9.845 1.00 0.00 H new ATOM 1189 N ILE A 77 3.782 0.571 6.271 1.00 0.00 N ATOM 1190 CA ILE A 77 2.390 0.201 6.466 1.00 0.00 C ATOM 1191 C ILE A 77 2.268 -1.325 6.465 1.00 0.00 C ATOM 1192 O ILE A 77 3.158 -2.022 5.982 1.00 0.00 O ATOM 1193 CB ILE A 77 1.502 0.889 5.428 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.740 0.310 4.031 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.696 2.407 5.460 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.812 -0.877 3.764 1.00 0.00 C ATOM 0 H ILE A 77 4.110 0.505 5.307 1.00 0.00 H new ATOM 0 HA ILE A 77 2.035 0.550 7.436 1.00 0.00 H new ATOM 0 HB ILE A 77 0.461 0.692 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.574 1.082 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.779 -0.007 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.053 2.872 4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.436 2.786 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.737 2.645 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.002 -1.270 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.998 -1.657 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.226 -0.551 3.835 1.00 0.00 H new ATOM 1208 N MET A 78 1.157 -1.798 7.011 1.00 0.00 N ATOM 1209 CA MET A 78 0.907 -3.227 7.079 1.00 0.00 C ATOM 1210 C MET A 78 -0.046 -3.671 5.967 1.00 0.00 C ATOM 1211 O MET A 78 -0.788 -2.856 5.419 1.00 0.00 O ATOM 1212 CB MET A 78 0.301 -3.575 8.440 1.00 0.00 C ATOM 1213 CG MET A 78 0.769 -4.953 8.912 1.00 0.00 C ATOM 1214 SD MET A 78 1.138 -4.907 10.658 1.00 0.00 S ATOM 1215 CE MET A 78 2.587 -3.865 10.641 1.00 0.00 C ATOM 0 H MET A 78 0.420 -1.217 7.410 1.00 0.00 H new ATOM 0 HA MET A 78 1.855 -3.749 6.949 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.585 -2.820 9.173 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.787 -3.560 8.372 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.004 -5.696 8.715 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.654 -5.257 8.353 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.256 -4.160 11.449 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.101 -3.973 9.686 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.289 -2.825 10.777 1.00 0.00 H new ATOM 1225 N MET A 79 0.004 -4.960 5.667 1.00 0.00 N ATOM 1226 CA MET A 79 -0.845 -5.521 4.631 1.00 0.00 C ATOM 1227 C MET A 79 -1.498 -6.823 5.102 1.00 0.00 C ATOM 1228 O MET A 79 -0.903 -7.577 5.870 1.00 0.00 O ATOM 1229 CB MET A 79 -0.010 -5.793 3.378 1.00 0.00 C ATOM 1230 CG MET A 79 -0.882 -5.763 2.121 1.00 0.00 C ATOM 1231 SD MET A 79 -0.089 -6.671 0.805 1.00 0.00 S ATOM 1232 CE MET A 79 -0.904 -8.249 0.983 1.00 0.00 C ATOM 0 H MET A 79 0.620 -5.632 6.124 1.00 0.00 H new ATOM 0 HA MET A 79 -1.633 -4.802 4.405 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.781 -5.047 3.294 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.476 -6.765 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.859 -6.197 2.336 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.052 -4.732 1.811 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.281 -9.031 0.549 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.065 -8.458 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.864 -8.223 0.468 1.00 0.00 H new ATOM 1242 N MET A 80 -2.712 -7.046 4.621 1.00 0.00 N ATOM 1243 CA MET A 80 -3.452 -8.243 4.983 1.00 0.00 C ATOM 1244 C MET A 80 -4.201 -8.811 3.776 1.00 0.00 C ATOM 1245 O MET A 80 -4.663 -8.060 2.919 1.00 0.00 O ATOM 1246 CB MET A 80 -4.450 -7.910 6.094 1.00 0.00 C ATOM 1247 CG MET A 80 -3.846 -8.181 7.473 1.00 0.00 C ATOM 1248 SD MET A 80 -4.888 -9.309 8.385 1.00 0.00 S ATOM 1249 CE MET A 80 -6.255 -8.227 8.767 1.00 0.00 C ATOM 0 H MET A 80 -3.202 -6.418 3.984 1.00 0.00 H new ATOM 0 HA MET A 80 -2.743 -8.994 5.333 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.744 -6.863 6.021 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.354 -8.505 5.966 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.847 -8.603 7.365 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.740 -7.246 8.023 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.630 -8.453 9.765 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.920 -7.190 8.731 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.052 -8.376 8.038 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.298 -10.132 3.748 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.983 -10.809 2.660 1.00 0.00 C ATOM 1261 C GLY A 81 -4.319 -12.151 2.345 1.00 0.00 C ATOM 1262 O GLY A 81 -3.715 -12.770 3.220 1.00 0.00 O ATOM 0 H GLY A 81 -3.914 -10.752 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.027 -10.970 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.975 -10.178 1.771 1.00 0.00 H new ATOM 1266 N THR A 82 -4.452 -12.561 1.092 1.00 0.00 N ATOM 1267 CA THR A 82 -3.872 -13.818 0.650 1.00 0.00 C ATOM 1268 C THR A 82 -4.040 -13.980 -0.862 1.00 0.00 C ATOM 1269 O THR A 82 -4.901 -13.342 -1.467 1.00 0.00 O ATOM 1270 CB THR A 82 -4.518 -14.946 1.457 1.00 0.00 C ATOM 1271 OG1 THR A 82 -3.836 -16.119 1.022 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.974 -15.192 1.059 1.00 0.00 C ATOM 0 H THR A 82 -4.953 -12.045 0.369 1.00 0.00 H new ATOM 0 HA THR A 82 -2.797 -13.843 0.831 1.00 0.00 H new ATOM 0 HB THR A 82 -4.468 -14.706 2.519 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.192 -16.899 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.384 -16.002 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.555 -14.285 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.022 -15.464 0.005 1.00 0.00 H new ATOM 1280 N ARG A 83 -3.204 -14.837 -1.430 1.00 0.00 N ATOM 1281 CA ARG A 83 -3.249 -15.091 -2.859 1.00 0.00 C ATOM 1282 C ARG A 83 -4.238 -16.217 -3.168 1.00 0.00 C ATOM 1283 O ARG A 83 -4.510 -17.060 -2.315 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.868 -15.475 -3.394 1.00 0.00 C ATOM 1285 CG ARG A 83 -1.472 -16.879 -2.934 1.00 0.00 C ATOM 1286 CD ARG A 83 -0.006 -17.171 -3.261 1.00 0.00 C ATOM 1287 NE ARG A 83 0.328 -18.563 -2.886 1.00 0.00 N ATOM 1288 CZ ARG A 83 0.127 -19.623 -3.681 1.00 0.00 C ATOM 1289 NH1 ARG A 83 -0.408 -19.457 -4.898 1.00 0.00 N ATOM 1290 NH2 ARG A 83 0.462 -20.850 -3.258 1.00 0.00 N ATOM 0 H ARG A 83 -2.491 -15.364 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.574 -14.173 -3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.872 -15.433 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.127 -14.753 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.634 -16.973 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.110 -17.618 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.175 -17.019 -4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.640 -16.476 -2.725 1.00 0.00 H new ATOM 0 HE ARG A 83 0.736 -18.726 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.663 -18.523 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.561 -20.264 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.870 -20.976 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.309 -21.657 -3.863 1.00 0.00 H new