USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 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 51 MET CE :methyl -103:sc= -1.21 (180deg=-4.23!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -78:sc= 0.921 USER MOD Set 2.2: A 48 GLN : amide:sc= -5.68! C(o=-12!,f=-26!) USER MOD Set 2.3: A 75 MET CE :methyl -114:sc= -6.8! (180deg=-7.29!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -150:sc= -0.146 (180deg=-0.00713) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 157:sc= -0.153 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.5!) USER MOD Single : A 26 THR OG1 : rot -110:sc= 0.537! USER MOD Single : A 31 MET CE :methyl -133:sc= 0 (180deg=-0.536) USER MOD Single : A 34 LYS NZ :NH3+ 131:sc= -7.89! (180deg=-13.1!) USER MOD Single : A 36 GLN : amide:sc= -1.29 K(o=-1.3,f=-7.7!) USER MOD Single : A 44 GLN : amide:sc= -0.92 K(o=-0.92,f=-3.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 164:sc= -1.19 (180deg=-1.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.14 F(o=-2.1!,f=-0.14) USER MOD Single : A 71 MET CE :methyl -136:sc= -0.762 (180deg=-1.61) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 171:sc= -0.606 (180deg=-1.07) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.751 3.407 -14.106 1.00 0.00 N ATOM 60 CA GLY A 7 -5.443 3.814 -12.746 1.00 0.00 C ATOM 61 C GLY A 7 -6.693 3.769 -11.864 1.00 0.00 C ATOM 62 O GLY A 7 -7.771 4.182 -12.288 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.677 3.159 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.032 4.823 -12.749 1.00 0.00 H new ATOM 66 N TYR A 8 -6.506 3.264 -10.654 1.00 0.00 N ATOM 67 CA TYR A 8 -7.605 3.159 -9.709 1.00 0.00 C ATOM 68 C TYR A 8 -7.284 3.903 -8.411 1.00 0.00 C ATOM 69 O TYR A 8 -6.117 4.096 -8.073 1.00 0.00 O ATOM 70 CB TYR A 8 -7.758 1.668 -9.403 1.00 0.00 C ATOM 71 CG TYR A 8 -8.349 0.854 -10.556 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.542 0.448 -11.599 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.690 0.527 -10.554 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.098 -0.318 -12.685 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.246 -0.239 -11.639 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.423 -0.624 -12.651 1.00 0.00 C ATOM 77 OH TYR A 8 -9.948 -1.347 -13.675 1.00 0.00 O ATOM 0 H TYR A 8 -5.610 2.923 -10.306 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.513 3.595 -10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.781 1.258 -9.146 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.394 1.551 -8.526 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.493 0.705 -11.601 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.322 0.846 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.477 -0.642 -13.507 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.293 -0.502 -11.649 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.904 -1.492 -13.517 1.00 0.00 H new ATOM 87 N SER A 9 -8.341 4.301 -7.718 1.00 0.00 N ATOM 88 CA SER A 9 -8.187 5.019 -6.464 1.00 0.00 C ATOM 89 C SER A 9 -8.690 4.160 -5.303 1.00 0.00 C ATOM 90 O SER A 9 -9.849 3.748 -5.288 1.00 0.00 O ATOM 91 CB SER A 9 -8.933 6.355 -6.499 1.00 0.00 C ATOM 92 OG SER A 9 -9.165 6.802 -7.832 1.00 0.00 O ATOM 0 H SER A 9 -9.308 4.140 -8.001 1.00 0.00 H new ATOM 0 HA SER A 9 -7.127 5.229 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.886 6.252 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.356 7.107 -5.960 1.00 0.00 H new ATOM 0 HG SER A 9 -9.645 7.656 -7.812 1.00 0.00 H new ATOM 98 N VAL A 10 -7.795 3.914 -4.358 1.00 0.00 N ATOM 99 CA VAL A 10 -8.134 3.112 -3.196 1.00 0.00 C ATOM 100 C VAL A 10 -7.659 3.828 -1.930 1.00 0.00 C ATOM 101 O VAL A 10 -7.058 4.899 -2.007 1.00 0.00 O ATOM 102 CB VAL A 10 -7.548 1.706 -3.342 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.067 1.025 -4.610 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.019 1.744 -3.327 1.00 0.00 C ATOM 0 H VAL A 10 -6.834 4.257 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.215 2.994 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.876 1.116 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.635 0.027 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.153 0.948 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.783 1.614 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.629 0.732 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.662 2.358 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.675 2.169 -2.384 1.00 0.00 H new ATOM 114 N THR A 11 -7.947 3.209 -0.795 1.00 0.00 N ATOM 115 CA THR A 11 -7.557 3.774 0.486 1.00 0.00 C ATOM 116 C THR A 11 -6.748 2.757 1.294 1.00 0.00 C ATOM 117 O THR A 11 -7.203 1.637 1.522 1.00 0.00 O ATOM 118 CB THR A 11 -8.825 4.247 1.200 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.038 5.562 0.694 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.609 4.455 2.700 1.00 0.00 C ATOM 0 H THR A 11 -8.446 2.321 -0.735 1.00 0.00 H new ATOM 0 HA THR A 11 -6.900 4.634 0.355 1.00 0.00 H new ATOM 0 HB THR A 11 -9.622 3.519 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.842 5.944 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.539 4.790 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.298 3.515 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.836 5.208 2.855 1.00 0.00 H new ATOM 128 N VAL A 12 -5.562 3.184 1.704 1.00 0.00 N ATOM 129 CA VAL A 12 -4.686 2.324 2.481 1.00 0.00 C ATOM 130 C VAL A 12 -4.992 2.504 3.970 1.00 0.00 C ATOM 131 O VAL A 12 -5.079 3.629 4.458 1.00 0.00 O ATOM 132 CB VAL A 12 -3.225 2.614 2.132 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.284 2.051 3.199 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.873 2.066 0.747 1.00 0.00 C ATOM 0 H VAL A 12 -5.188 4.113 1.513 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.863 1.277 2.237 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.095 3.696 2.108 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.252 2.271 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.510 2.509 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.418 0.972 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.829 2.286 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.028 0.987 0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.511 2.534 -0.003 1.00 0.00 H new ATOM 144 N LYS A 13 -5.146 1.377 4.650 1.00 0.00 N ATOM 145 CA LYS A 13 -5.440 1.396 6.072 1.00 0.00 C ATOM 146 C LYS A 13 -4.326 0.670 6.829 1.00 0.00 C ATOM 147 O LYS A 13 -4.180 -0.546 6.708 1.00 0.00 O ATOM 148 CB LYS A 13 -6.836 0.828 6.339 1.00 0.00 C ATOM 149 CG LYS A 13 -7.796 1.926 6.799 1.00 0.00 C ATOM 150 CD LYS A 13 -9.241 1.421 6.814 1.00 0.00 C ATOM 151 CE LYS A 13 -10.009 1.994 8.006 1.00 0.00 C ATOM 152 NZ LYS A 13 -11.192 2.755 7.543 1.00 0.00 N ATOM 0 H LYS A 13 -5.073 0.445 4.242 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.462 2.421 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.221 0.359 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.776 0.050 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.515 2.265 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.715 2.787 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.739 1.704 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.249 0.332 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.325 1.186 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.356 2.644 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.400 3.518 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.997 3.165 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.011 2.118 7.478 1.00 0.00 H new ATOM 166 N TRP A 14 -3.570 1.445 7.592 1.00 0.00 N ATOM 167 CA TRP A 14 -2.474 0.891 8.367 1.00 0.00 C ATOM 168 C TRP A 14 -2.735 1.199 9.843 1.00 0.00 C ATOM 169 O TRP A 14 -2.404 2.282 10.323 1.00 0.00 O ATOM 170 CB TRP A 14 -1.128 1.426 7.875 1.00 0.00 C ATOM 171 CG TRP A 14 0.084 0.718 8.483 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.259 -0.596 8.681 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.291 1.343 8.969 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.485 -0.863 9.256 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.132 0.354 9.437 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.660 2.699 9.012 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.396 0.616 9.980 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.925 2.944 9.558 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.784 1.960 10.033 1.00 0.00 C ATOM 0 H TRP A 14 -3.695 2.453 7.690 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.421 -0.190 8.240 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.085 1.330 6.790 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.066 2.490 8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.468 -1.351 8.423 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.849 -1.783 9.503 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.018 3.489 8.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.037 -0.176 10.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.257 3.970 9.614 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.746 2.231 10.441 1.00 0.00 H new ATOM 190 N GLY A 15 -3.328 0.227 10.522 1.00 0.00 N ATOM 191 CA GLY A 15 -3.638 0.381 11.933 1.00 0.00 C ATOM 192 C GLY A 15 -4.078 1.813 12.244 1.00 0.00 C ATOM 193 O GLY A 15 -4.957 2.355 11.576 1.00 0.00 O ATOM 0 H GLY A 15 -3.602 -0.670 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.428 -0.315 12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.763 0.128 12.531 1.00 0.00 H new ATOM 197 N LYS A 16 -3.447 2.384 13.260 1.00 0.00 N ATOM 198 CA LYS A 16 -3.763 3.742 13.668 1.00 0.00 C ATOM 199 C LYS A 16 -3.569 4.686 12.479 1.00 0.00 C ATOM 200 O LYS A 16 -4.312 5.653 12.322 1.00 0.00 O ATOM 201 CB LYS A 16 -2.949 4.134 14.903 1.00 0.00 C ATOM 202 CG LYS A 16 -3.784 4.982 15.864 1.00 0.00 C ATOM 203 CD LYS A 16 -4.394 4.117 16.970 1.00 0.00 C ATOM 204 CE LYS A 16 -5.271 4.957 17.901 1.00 0.00 C ATOM 205 NZ LYS A 16 -6.449 4.178 18.344 1.00 0.00 N ATOM 0 H LYS A 16 -2.719 1.931 13.812 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.809 3.816 13.967 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.601 3.236 15.413 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.063 4.691 14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.159 5.758 16.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.577 5.487 15.313 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.989 3.319 16.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.599 3.641 17.544 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.691 5.276 18.767 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.597 5.861 17.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.034 4.762 18.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.010 3.895 17.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.132 3.329 18.854 1.00 0.00 H new ATOM 219 N GLU A 17 -2.566 4.371 11.673 1.00 0.00 N ATOM 220 CA GLU A 17 -2.265 5.179 10.503 1.00 0.00 C ATOM 221 C GLU A 17 -3.372 5.032 9.457 1.00 0.00 C ATOM 222 O GLU A 17 -3.970 3.964 9.327 1.00 0.00 O ATOM 223 CB GLU A 17 -0.902 4.806 9.915 1.00 0.00 C ATOM 224 CG GLU A 17 0.235 5.296 10.814 1.00 0.00 C ATOM 225 CD GLU A 17 0.163 6.811 11.013 1.00 0.00 C ATOM 226 OE1 GLU A 17 -0.051 7.507 9.997 1.00 0.00 O ATOM 227 OE2 GLU A 17 0.324 7.239 12.176 1.00 0.00 O ATOM 0 H GLU A 17 -1.952 3.568 11.807 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.218 6.224 10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.837 3.724 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.799 5.242 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.180 4.796 11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.194 5.029 10.371 1.00 0.00 H new ATOM 234 N LYS A 18 -3.611 6.118 8.738 1.00 0.00 N ATOM 235 CA LYS A 18 -4.636 6.124 7.708 1.00 0.00 C ATOM 236 C LYS A 18 -4.143 6.936 6.509 1.00 0.00 C ATOM 237 O LYS A 18 -3.478 7.957 6.677 1.00 0.00 O ATOM 238 CB LYS A 18 -5.967 6.616 8.278 1.00 0.00 C ATOM 239 CG LYS A 18 -6.997 6.826 7.166 1.00 0.00 C ATOM 240 CD LYS A 18 -8.420 6.625 7.691 1.00 0.00 C ATOM 241 CE LYS A 18 -9.088 5.425 7.018 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.549 5.637 6.913 1.00 0.00 N ATOM 0 H LYS A 18 -3.112 7.001 8.848 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.824 5.111 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.348 5.892 8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.812 7.551 8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.895 7.831 6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.805 6.129 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.395 6.474 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.009 7.524 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.664 5.275 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.886 4.520 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.931 5.048 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.003 5.374 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.741 6.638 6.708 1.00 0.00 H new ATOM 256 N PHE A 19 -4.488 6.452 5.324 1.00 0.00 N ATOM 257 CA PHE A 19 -4.089 7.120 4.097 1.00 0.00 C ATOM 258 C PHE A 19 -5.238 7.146 3.088 1.00 0.00 C ATOM 259 O PHE A 19 -5.668 6.100 2.605 1.00 0.00 O ATOM 260 CB PHE A 19 -2.927 6.317 3.509 1.00 0.00 C ATOM 261 CG PHE A 19 -1.739 6.153 4.459 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.766 7.102 4.502 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.657 5.058 5.262 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.336 6.949 5.384 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.555 4.905 6.144 1.00 0.00 C ATOM 266 CZ PHE A 19 0.419 5.854 6.187 1.00 0.00 C ATOM 0 H PHE A 19 -5.040 5.605 5.188 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.805 8.151 4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.289 5.329 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.585 6.807 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.832 7.972 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.430 4.305 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.109 7.703 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.490 4.035 6.781 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.257 5.738 6.858 1.00 0.00 H new ATOM 276 N GLU A 20 -5.703 8.352 2.800 1.00 0.00 N ATOM 277 CA GLU A 20 -6.795 8.528 1.857 1.00 0.00 C ATOM 278 C GLU A 20 -6.323 9.332 0.643 1.00 0.00 C ATOM 279 O GLU A 20 -5.779 10.425 0.791 1.00 0.00 O ATOM 280 CB GLU A 20 -7.995 9.200 2.526 1.00 0.00 C ATOM 281 CG GLU A 20 -8.495 8.373 3.713 1.00 0.00 C ATOM 282 CD GLU A 20 -9.991 8.597 3.946 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.780 7.959 3.217 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.310 9.402 4.847 1.00 0.00 O ATOM 0 H GLU A 20 -5.344 9.217 3.203 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.116 7.544 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.715 10.197 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.799 9.324 1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.306 7.315 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.939 8.645 4.610 1.00 0.00 H new ATOM 291 N GLY A 21 -6.549 8.759 -0.530 1.00 0.00 N ATOM 292 CA GLY A 21 -6.154 9.408 -1.768 1.00 0.00 C ATOM 293 C GLY A 21 -4.819 8.858 -2.274 1.00 0.00 C ATOM 294 O GLY A 21 -3.877 9.615 -2.501 1.00 0.00 O ATOM 0 H GLY A 21 -7.001 7.852 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.924 9.256 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.072 10.483 -1.609 1.00 0.00 H new ATOM 298 N VAL A 22 -4.781 7.543 -2.437 1.00 0.00 N ATOM 299 CA VAL A 22 -3.577 6.883 -2.912 1.00 0.00 C ATOM 300 C VAL A 22 -3.733 6.554 -4.398 1.00 0.00 C ATOM 301 O VAL A 22 -4.850 6.395 -4.888 1.00 0.00 O ATOM 302 CB VAL A 22 -3.284 5.650 -2.055 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.990 4.966 -2.503 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.226 6.015 -0.571 1.00 0.00 C ATOM 0 H VAL A 22 -5.564 6.918 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.715 7.544 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.102 4.943 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.805 4.093 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.085 4.654 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.158 5.664 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.016 5.121 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.437 6.749 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.183 6.436 -0.262 1.00 0.00 H new ATOM 314 N GLU A 23 -2.597 6.464 -5.074 1.00 0.00 N ATOM 315 CA GLU A 23 -2.594 6.157 -6.494 1.00 0.00 C ATOM 316 C GLU A 23 -2.297 4.673 -6.716 1.00 0.00 C ATOM 317 O GLU A 23 -1.324 4.144 -6.182 1.00 0.00 O ATOM 318 CB GLU A 23 -1.589 7.035 -7.242 1.00 0.00 C ATOM 319 CG GLU A 23 -0.181 6.872 -6.664 1.00 0.00 C ATOM 320 CD GLU A 23 0.859 7.561 -7.550 1.00 0.00 C ATOM 321 OE1 GLU A 23 1.102 8.763 -7.310 1.00 0.00 O ATOM 322 OE2 GLU A 23 1.387 6.870 -8.447 1.00 0.00 O ATOM 0 H GLU A 23 -1.672 6.598 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.585 6.373 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.585 6.769 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.894 8.079 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.145 7.294 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.058 5.812 -6.573 1.00 0.00 H new ATOM 329 N LEU A 24 -3.154 4.042 -7.506 1.00 0.00 N ATOM 330 CA LEU A 24 -2.996 2.630 -7.806 1.00 0.00 C ATOM 331 C LEU A 24 -3.226 2.400 -9.301 1.00 0.00 C ATOM 332 O LEU A 24 -4.148 2.968 -9.884 1.00 0.00 O ATOM 333 CB LEU A 24 -3.903 1.787 -6.908 1.00 0.00 C ATOM 334 CG LEU A 24 -4.264 0.396 -7.434 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.308 -0.664 -6.882 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.726 0.060 -7.137 1.00 0.00 C ATOM 0 H LEU A 24 -3.960 4.484 -7.947 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.978 2.306 -7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.416 1.672 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.827 2.340 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.149 0.400 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.587 -1.643 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.288 -0.429 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.367 -0.676 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.956 -0.934 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.892 0.080 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.373 0.794 -7.618 1.00 0.00 H new ATOM 348 N ASN A 25 -2.372 1.568 -9.878 1.00 0.00 N ATOM 349 CA ASN A 25 -2.471 1.257 -11.294 1.00 0.00 C ATOM 350 C ASN A 25 -2.466 -0.262 -11.480 1.00 0.00 C ATOM 351 O ASN A 25 -1.731 -0.972 -10.795 1.00 0.00 O ATOM 352 CB ASN A 25 -1.284 1.832 -12.068 1.00 0.00 C ATOM 353 CG ASN A 25 -1.476 3.326 -12.336 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.420 3.949 -11.879 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.531 3.865 -13.101 1.00 0.00 N ATOM 0 H ASN A 25 -1.608 1.099 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.395 1.696 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.366 1.676 -11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.170 1.301 -13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.570 4.856 -13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.233 3.287 -13.451 1.00 0.00 H new ATOM 362 N THR A 26 -3.294 -0.715 -12.409 1.00 0.00 N ATOM 363 CA THR A 26 -3.394 -2.137 -12.693 1.00 0.00 C ATOM 364 C THR A 26 -2.528 -2.501 -13.901 1.00 0.00 C ATOM 365 O THR A 26 -2.005 -3.611 -13.982 1.00 0.00 O ATOM 366 CB THR A 26 -4.873 -2.478 -12.881 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.395 -1.372 -13.612 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.652 -2.455 -11.564 1.00 0.00 C ATOM 0 H THR A 26 -3.902 -0.123 -12.975 1.00 0.00 H new ATOM 0 HA THR A 26 -3.011 -2.734 -11.866 1.00 0.00 H new ATOM 0 HB THR A 26 -4.962 -3.463 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.991 -0.850 -13.035 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.696 -2.704 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.225 -3.184 -10.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.591 -1.460 -11.122 1.00 0.00 H new ATOM 376 N ASP A 27 -2.404 -1.545 -14.809 1.00 0.00 N ATOM 377 CA ASP A 27 -1.610 -1.751 -16.009 1.00 0.00 C ATOM 378 C ASP A 27 -0.223 -2.263 -15.616 1.00 0.00 C ATOM 379 O ASP A 27 0.441 -2.935 -16.403 1.00 0.00 O ATOM 380 CB ASP A 27 -1.430 -0.443 -16.782 1.00 0.00 C ATOM 381 CG ASP A 27 -0.519 -0.536 -18.008 1.00 0.00 C ATOM 382 OD1 ASP A 27 -1.003 -1.057 -19.036 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.640 -0.085 -17.889 1.00 0.00 O ATOM 0 H ASP A 27 -2.840 -0.625 -14.738 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.131 -2.473 -16.638 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.410 -0.090 -17.102 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.026 0.309 -16.104 1.00 0.00 H new ATOM 388 N GLU A 28 0.174 -1.925 -14.398 1.00 0.00 N ATOM 389 CA GLU A 28 1.471 -2.342 -13.891 1.00 0.00 C ATOM 390 C GLU A 28 1.302 -3.453 -12.853 1.00 0.00 C ATOM 391 O GLU A 28 0.183 -3.881 -12.572 1.00 0.00 O ATOM 392 CB GLU A 28 2.237 -1.155 -13.304 1.00 0.00 C ATOM 393 CG GLU A 28 1.576 0.170 -13.690 1.00 0.00 C ATOM 394 CD GLU A 28 1.457 0.301 -15.209 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.948 -0.619 -15.899 1.00 0.00 O ATOM 396 OE2 GLU A 28 0.877 1.318 -15.648 1.00 0.00 O ATOM 0 H GLU A 28 -0.379 -1.367 -13.747 1.00 0.00 H new ATOM 0 HA GLU A 28 2.056 -2.734 -14.723 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.275 -1.244 -12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.267 -1.169 -13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.586 0.232 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.160 1.001 -13.294 1.00 0.00 H new ATOM 403 N PRO A 29 2.459 -3.900 -12.296 1.00 0.00 N ATOM 404 CA PRO A 29 2.450 -4.953 -11.295 1.00 0.00 C ATOM 405 C PRO A 29 1.965 -4.422 -9.944 1.00 0.00 C ATOM 406 O PRO A 29 1.884 -3.211 -9.742 1.00 0.00 O ATOM 407 CB PRO A 29 3.880 -5.467 -11.252 1.00 0.00 C ATOM 408 CG PRO A 29 4.733 -4.381 -11.886 1.00 0.00 C ATOM 409 CD PRO A 29 3.802 -3.416 -12.603 1.00 0.00 C ATOM 0 HA PRO A 29 1.758 -5.759 -11.539 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.194 -5.662 -10.227 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.974 -6.406 -11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.313 -3.858 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.446 -4.816 -12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.944 -2.394 -12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.986 -3.413 -13.677 1.00 0.00 H new ATOM 417 N PRO A 30 1.647 -5.378 -9.031 1.00 0.00 N ATOM 418 CA PRO A 30 1.173 -5.019 -7.706 1.00 0.00 C ATOM 419 C PRO A 30 2.322 -4.516 -6.830 1.00 0.00 C ATOM 420 O PRO A 30 2.090 -3.928 -5.774 1.00 0.00 O ATOM 421 CB PRO A 30 0.523 -6.282 -7.165 1.00 0.00 C ATOM 422 CG PRO A 30 1.064 -7.424 -8.010 1.00 0.00 C ATOM 423 CD PRO A 30 1.731 -6.822 -9.236 1.00 0.00 C ATOM 0 HA PRO A 30 0.459 -4.196 -7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.766 -6.426 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.563 -6.224 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.779 -8.016 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.258 -8.096 -8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.767 -7.150 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.222 -7.122 -10.152 1.00 0.00 H new ATOM 431 N MET A 31 3.535 -4.765 -7.300 1.00 0.00 N ATOM 432 CA MET A 31 4.720 -4.344 -6.572 1.00 0.00 C ATOM 433 C MET A 31 4.774 -2.820 -6.447 1.00 0.00 C ATOM 434 O MET A 31 5.173 -2.293 -5.409 1.00 0.00 O ATOM 435 CB MET A 31 5.970 -4.841 -7.302 1.00 0.00 C ATOM 436 CG MET A 31 5.916 -6.356 -7.512 1.00 0.00 C ATOM 437 SD MET A 31 7.551 -7.054 -7.345 1.00 0.00 S ATOM 438 CE MET A 31 7.650 -7.190 -5.568 1.00 0.00 C ATOM 0 H MET A 31 3.723 -5.253 -8.176 1.00 0.00 H new ATOM 0 HA MET A 31 4.679 -4.771 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.056 -4.339 -8.266 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.859 -4.581 -6.727 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.242 -6.809 -6.784 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.515 -6.580 -8.500 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.606 -6.795 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.839 -6.621 -5.114 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.566 -8.237 -5.278 1.00 0.00 H new ATOM 448 N VAL A 32 4.367 -2.155 -7.518 1.00 0.00 N ATOM 449 CA VAL A 32 4.364 -0.702 -7.540 1.00 0.00 C ATOM 450 C VAL A 32 3.519 -0.180 -6.377 1.00 0.00 C ATOM 451 O VAL A 32 4.027 0.514 -5.498 1.00 0.00 O ATOM 452 CB VAL A 32 3.881 -0.201 -8.903 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.774 1.325 -8.919 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.794 -0.699 -10.025 1.00 0.00 C ATOM 0 H VAL A 32 4.037 -2.595 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 32 5.374 -0.316 -7.406 1.00 0.00 H new ATOM 0 HB VAL A 32 2.885 -0.608 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.429 1.655 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.065 1.648 -8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.752 1.760 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.428 -0.329 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.808 -0.335 -9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.797 -1.789 -10.035 1.00 0.00 H new ATOM 464 N PHE A 33 2.242 -0.535 -6.409 1.00 0.00 N ATOM 465 CA PHE A 33 1.322 -0.111 -5.368 1.00 0.00 C ATOM 466 C PHE A 33 1.923 -0.336 -3.979 1.00 0.00 C ATOM 467 O PHE A 33 1.741 0.483 -3.080 1.00 0.00 O ATOM 468 CB PHE A 33 0.061 -0.966 -5.510 1.00 0.00 C ATOM 469 CG PHE A 33 -1.043 -0.618 -4.510 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.718 0.558 -4.623 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.350 -1.484 -3.508 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.742 0.881 -3.695 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.375 -1.161 -2.579 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.050 0.014 -2.693 1.00 0.00 C ATOM 0 H PHE A 33 1.824 -1.111 -7.139 1.00 0.00 H new ATOM 0 HA PHE A 33 1.107 0.952 -5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.330 -0.853 -6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.330 -2.015 -5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.474 1.246 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.815 -2.418 -3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.277 1.815 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.618 -1.848 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.831 0.259 -1.988 1.00 0.00 H new ATOM 484 N LYS A 34 2.627 -1.450 -3.848 1.00 0.00 N ATOM 485 CA LYS A 34 3.256 -1.794 -2.584 1.00 0.00 C ATOM 486 C LYS A 34 4.511 -0.940 -2.395 1.00 0.00 C ATOM 487 O LYS A 34 4.913 -0.660 -1.267 1.00 0.00 O ATOM 488 CB LYS A 34 3.518 -3.299 -2.507 1.00 0.00 C ATOM 489 CG LYS A 34 2.217 -4.091 -2.654 1.00 0.00 C ATOM 490 CD LYS A 34 2.483 -5.480 -3.237 1.00 0.00 C ATOM 491 CE LYS A 34 1.237 -6.362 -3.142 1.00 0.00 C ATOM 492 NZ LYS A 34 0.150 -5.817 -3.986 1.00 0.00 N ATOM 0 H LYS A 34 2.776 -2.127 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 34 2.588 -1.568 -1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.216 -3.591 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.990 -3.541 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.734 -4.187 -1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.527 -3.548 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.789 -5.388 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.308 -5.951 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.478 -7.377 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.905 -6.422 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.246 -6.577 -4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.598 -5.425 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.529 -5.066 -4.598 1.00 0.00 H new ATOM 506 N ALA A 35 5.097 -0.550 -3.518 1.00 0.00 N ATOM 507 CA ALA A 35 6.299 0.266 -3.491 1.00 0.00 C ATOM 508 C ALA A 35 5.967 1.634 -2.892 1.00 0.00 C ATOM 509 O ALA A 35 6.804 2.244 -2.228 1.00 0.00 O ATOM 510 CB ALA A 35 6.876 0.373 -4.904 1.00 0.00 C ATOM 0 H ALA A 35 4.761 -0.784 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 35 7.061 -0.194 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.778 0.985 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.122 -0.623 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.140 0.833 -5.564 1.00 0.00 H new ATOM 516 N GLN A 36 4.745 2.077 -3.147 1.00 0.00 N ATOM 517 CA GLN A 36 4.293 3.362 -2.641 1.00 0.00 C ATOM 518 C GLN A 36 3.980 3.263 -1.147 1.00 0.00 C ATOM 519 O GLN A 36 4.451 4.079 -0.356 1.00 0.00 O ATOM 520 CB GLN A 36 3.078 3.862 -3.424 1.00 0.00 C ATOM 521 CG GLN A 36 2.253 4.844 -2.588 1.00 0.00 C ATOM 522 CD GLN A 36 1.721 5.988 -3.453 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.592 5.978 -3.915 1.00 0.00 O ATOM 524 NE2 GLN A 36 2.594 6.972 -3.646 1.00 0.00 N ATOM 0 H GLN A 36 4.053 1.569 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 36 5.095 4.087 -2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.408 4.348 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.456 3.016 -3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.420 4.319 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.867 5.247 -1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.524 6.918 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.334 7.781 -4.210 1.00 0.00 H new ATOM 533 N LEU A 37 3.189 2.258 -0.805 1.00 0.00 N ATOM 534 CA LEU A 37 2.808 2.042 0.580 1.00 0.00 C ATOM 535 C LEU A 37 4.056 2.098 1.462 1.00 0.00 C ATOM 536 O LEU A 37 3.996 2.558 2.602 1.00 0.00 O ATOM 537 CB LEU A 37 2.013 0.742 0.721 1.00 0.00 C ATOM 538 CG LEU A 37 0.738 0.641 -0.119 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.324 -0.197 0.595 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.216 2.030 -0.493 1.00 0.00 C ATOM 0 H LEU A 37 2.801 1.583 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 37 2.141 2.835 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.665 -0.090 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.744 0.616 1.770 1.00 0.00 H new ATOM 0 HG LEU A 37 0.982 0.127 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.220 -0.253 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.061 -1.202 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.571 0.266 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.691 1.929 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.007 2.591 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.973 2.560 -1.070 1.00 0.00 H new ATOM 552 N PHE A 38 5.159 1.624 0.903 1.00 0.00 N ATOM 553 CA PHE A 38 6.421 1.614 1.624 1.00 0.00 C ATOM 554 C PHE A 38 6.818 3.028 2.053 1.00 0.00 C ATOM 555 O PHE A 38 7.431 3.213 3.103 1.00 0.00 O ATOM 556 CB PHE A 38 7.481 1.068 0.665 1.00 0.00 C ATOM 557 CG PHE A 38 8.857 0.874 1.305 1.00 0.00 C ATOM 558 CD1 PHE A 38 8.995 0.945 2.656 1.00 0.00 C ATOM 559 CD2 PHE A 38 9.942 0.631 0.522 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.273 0.765 3.249 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.220 0.451 1.115 1.00 0.00 C ATOM 562 CZ PHE A 38 11.358 0.522 2.466 1.00 0.00 C ATOM 0 H PHE A 38 5.205 1.243 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 38 6.332 1.002 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.139 0.113 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.577 1.750 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.133 1.138 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.832 0.575 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.383 0.821 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.082 0.258 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.330 0.385 2.917 1.00 0.00 H new ATOM 572 N ALA A 39 6.451 3.990 1.219 1.00 0.00 N ATOM 573 CA ALA A 39 6.761 5.382 1.498 1.00 0.00 C ATOM 574 C ALA A 39 5.596 6.017 2.259 1.00 0.00 C ATOM 575 O ALA A 39 5.727 7.113 2.802 1.00 0.00 O ATOM 576 CB ALA A 39 7.068 6.110 0.188 1.00 0.00 C ATOM 0 H ALA A 39 5.942 3.833 0.349 1.00 0.00 H new ATOM 0 HA ALA A 39 7.647 5.459 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.300 7.154 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.922 5.639 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.201 6.057 -0.470 1.00 0.00 H new ATOM 582 N LEU A 40 4.481 5.301 2.274 1.00 0.00 N ATOM 583 CA LEU A 40 3.292 5.781 2.959 1.00 0.00 C ATOM 584 C LEU A 40 3.303 5.277 4.403 1.00 0.00 C ATOM 585 O LEU A 40 2.937 6.008 5.322 1.00 0.00 O ATOM 586 CB LEU A 40 2.033 5.393 2.182 1.00 0.00 C ATOM 587 CG LEU A 40 1.930 5.938 0.756 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.712 5.359 0.034 1.00 0.00 C ATOM 589 CD2 LEU A 40 1.923 7.468 0.753 1.00 0.00 C ATOM 0 H LEU A 40 4.376 4.392 1.823 1.00 0.00 H new ATOM 0 HA LEU A 40 3.290 6.870 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.978 4.305 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.164 5.734 2.744 1.00 0.00 H new ATOM 0 HG LEU A 40 2.814 5.618 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.663 5.763 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.799 4.273 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.194 5.628 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.849 7.829 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.070 7.829 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.845 7.837 1.202 1.00 0.00 H new ATOM 601 N THR A 41 3.728 4.032 4.559 1.00 0.00 N ATOM 602 CA THR A 41 3.792 3.422 5.876 1.00 0.00 C ATOM 603 C THR A 41 5.246 3.291 6.334 1.00 0.00 C ATOM 604 O THR A 41 5.642 3.891 7.332 1.00 0.00 O ATOM 605 CB THR A 41 3.052 2.084 5.814 1.00 0.00 C ATOM 606 OG1 THR A 41 3.709 1.372 4.769 1.00 0.00 O ATOM 607 CG2 THR A 41 1.613 2.234 5.316 1.00 0.00 C ATOM 0 H THR A 41 4.032 3.429 3.795 1.00 0.00 H new ATOM 0 HA THR A 41 3.304 4.046 6.624 1.00 0.00 H new ATOM 0 HB THR A 41 3.048 1.625 6.803 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.403 1.709 3.901 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.133 1.256 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.062 2.892 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.618 2.662 4.313 1.00 0.00 H new ATOM 615 N GLY A 42 6.001 2.504 5.582 1.00 0.00 N ATOM 616 CA GLY A 42 7.402 2.287 5.898 1.00 0.00 C ATOM 617 C GLY A 42 7.751 0.798 5.850 1.00 0.00 C ATOM 618 O GLY A 42 8.923 0.429 5.911 1.00 0.00 O ATOM 0 H GLY A 42 5.669 2.009 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.027 2.833 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.620 2.684 6.890 1.00 0.00 H new ATOM 622 N VAL A 43 6.712 -0.017 5.740 1.00 0.00 N ATOM 623 CA VAL A 43 6.894 -1.457 5.683 1.00 0.00 C ATOM 624 C VAL A 43 7.207 -1.871 4.243 1.00 0.00 C ATOM 625 O VAL A 43 6.618 -1.344 3.300 1.00 0.00 O ATOM 626 CB VAL A 43 5.663 -2.163 6.253 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.865 -3.680 6.284 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.319 -1.628 7.645 1.00 0.00 C ATOM 0 H VAL A 43 5.742 0.293 5.689 1.00 0.00 H new ATOM 0 HA VAL A 43 7.740 -1.759 6.300 1.00 0.00 H new ATOM 0 HB VAL A 43 4.821 -1.950 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.975 -4.157 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.039 -4.045 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.725 -3.920 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.440 -2.147 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.160 -1.796 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.111 -0.560 7.583 1.00 0.00 H new ATOM 638 N GLN A 44 8.133 -2.810 4.119 1.00 0.00 N ATOM 639 CA GLN A 44 8.531 -3.301 2.811 1.00 0.00 C ATOM 640 C GLN A 44 7.298 -3.679 1.988 1.00 0.00 C ATOM 641 O GLN A 44 6.248 -3.994 2.545 1.00 0.00 O ATOM 642 CB GLN A 44 9.490 -4.486 2.938 1.00 0.00 C ATOM 643 CG GLN A 44 10.863 -4.030 3.433 1.00 0.00 C ATOM 644 CD GLN A 44 10.884 -3.911 4.959 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.146 -4.574 5.669 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.768 -3.030 5.421 1.00 0.00 N ATOM 0 H GLN A 44 8.619 -3.244 4.903 1.00 0.00 H new ATOM 0 HA GLN A 44 9.060 -2.503 2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.076 -5.221 3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.593 -4.980 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.624 -4.740 3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.114 -3.068 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.355 -2.508 4.771 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.858 -2.877 6.425 1.00 0.00 H new ATOM 655 N PRO A 45 7.470 -3.633 0.639 1.00 0.00 N ATOM 656 CA PRO A 45 6.384 -3.967 -0.266 1.00 0.00 C ATOM 657 C PRO A 45 6.153 -5.479 -0.312 1.00 0.00 C ATOM 658 O PRO A 45 5.148 -5.941 -0.849 1.00 0.00 O ATOM 659 CB PRO A 45 6.799 -3.388 -1.609 1.00 0.00 C ATOM 660 CG PRO A 45 8.299 -3.161 -1.519 1.00 0.00 C ATOM 661 CD PRO A 45 8.699 -3.264 -0.056 1.00 0.00 C ATOM 0 HA PRO A 45 5.428 -3.552 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.556 -4.073 -2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.274 -2.454 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.834 -3.902 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.562 -2.181 -1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.477 -4.014 0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.094 -2.318 0.314 1.00 0.00 H new ATOM 669 N ALA A 46 7.102 -6.207 0.258 1.00 0.00 N ATOM 670 CA ALA A 46 7.015 -7.657 0.289 1.00 0.00 C ATOM 671 C ALA A 46 6.304 -8.094 1.572 1.00 0.00 C ATOM 672 O ALA A 46 5.388 -8.913 1.530 1.00 0.00 O ATOM 673 CB ALA A 46 8.418 -8.256 0.167 1.00 0.00 C ATOM 0 H ALA A 46 7.935 -5.820 0.702 1.00 0.00 H new ATOM 0 HA ALA A 46 6.429 -8.024 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.352 -9.344 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.868 -7.940 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.034 -7.912 0.998 1.00 0.00 H new ATOM 679 N ARG A 47 6.754 -7.528 2.682 1.00 0.00 N ATOM 680 CA ARG A 47 6.173 -7.849 3.974 1.00 0.00 C ATOM 681 C ARG A 47 4.777 -7.233 4.096 1.00 0.00 C ATOM 682 O ARG A 47 3.889 -7.817 4.714 1.00 0.00 O ATOM 683 CB ARG A 47 7.051 -7.334 5.116 1.00 0.00 C ATOM 684 CG ARG A 47 8.250 -8.257 5.345 1.00 0.00 C ATOM 685 CD ARG A 47 9.286 -8.096 4.231 1.00 0.00 C ATOM 686 NE ARG A 47 10.430 -9.004 4.469 1.00 0.00 N ATOM 687 CZ ARG A 47 10.390 -10.330 4.276 1.00 0.00 C ATOM 688 NH1 ARG A 47 9.262 -10.909 3.841 1.00 0.00 N ATOM 689 NH2 ARG A 47 11.476 -11.075 4.518 1.00 0.00 N ATOM 0 H ARG A 47 7.514 -6.849 2.713 1.00 0.00 H new ATOM 0 HA ARG A 47 6.103 -8.934 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.401 -6.328 4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.461 -7.264 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.708 -8.032 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.913 -9.293 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.831 -8.316 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.633 -7.063 4.192 1.00 0.00 H new ATOM 0 HE ARG A 47 11.304 -8.595 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.435 -10.341 3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.231 -11.918 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.334 -10.634 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.445 -12.084 4.371 1.00 0.00 H new ATOM 703 N GLN A 48 4.628 -6.061 3.497 1.00 0.00 N ATOM 704 CA GLN A 48 3.356 -5.360 3.530 1.00 0.00 C ATOM 705 C GLN A 48 2.229 -6.281 3.059 1.00 0.00 C ATOM 706 O GLN A 48 2.025 -6.455 1.858 1.00 0.00 O ATOM 707 CB GLN A 48 3.410 -4.084 2.686 1.00 0.00 C ATOM 708 CG GLN A 48 3.835 -2.884 3.534 1.00 0.00 C ATOM 709 CD GLN A 48 3.819 -1.596 2.708 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.053 -0.679 2.955 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.704 -1.579 1.716 1.00 0.00 N ATOM 0 H GLN A 48 5.367 -5.579 2.986 1.00 0.00 H new ATOM 0 HA GLN A 48 3.153 -5.067 4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.111 -4.218 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.432 -3.894 2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.165 -2.781 4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.835 -3.052 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.316 -2.381 1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.771 -0.764 1.106 1.00 0.00 H new ATOM 720 N LYS A 49 1.527 -6.848 4.029 1.00 0.00 N ATOM 721 CA LYS A 49 0.426 -7.748 3.728 1.00 0.00 C ATOM 722 C LYS A 49 -0.772 -6.934 3.234 1.00 0.00 C ATOM 723 O LYS A 49 -1.576 -6.459 4.035 1.00 0.00 O ATOM 724 CB LYS A 49 0.112 -8.633 4.936 1.00 0.00 C ATOM 725 CG LYS A 49 -0.569 -9.933 4.501 1.00 0.00 C ATOM 726 CD LYS A 49 -1.332 -10.568 5.665 1.00 0.00 C ATOM 727 CE LYS A 49 -2.302 -11.640 5.165 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.409 -12.741 6.147 1.00 0.00 N ATOM 0 H LYS A 49 1.699 -6.702 5.024 1.00 0.00 H new ATOM 0 HA LYS A 49 0.701 -8.431 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.033 -8.862 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.534 -8.094 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.255 -9.731 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.179 -10.632 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.627 -11.010 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.882 -9.799 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.284 -11.199 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.959 -12.031 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.071 -13.460 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.473 -13.172 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.758 -12.366 7.052 1.00 0.00 H new ATOM 742 N VAL A 50 -0.852 -6.797 1.919 1.00 0.00 N ATOM 743 CA VAL A 50 -1.938 -6.049 1.309 1.00 0.00 C ATOM 744 C VAL A 50 -3.137 -6.976 1.102 1.00 0.00 C ATOM 745 O VAL A 50 -3.107 -7.853 0.240 1.00 0.00 O ATOM 746 CB VAL A 50 -1.459 -5.393 0.013 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.514 -4.433 -0.539 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.122 -4.678 0.222 1.00 0.00 C ATOM 0 H VAL A 50 -0.182 -7.191 1.259 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.261 -5.241 1.966 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.306 -6.181 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.148 -3.981 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.433 -4.982 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.714 -3.652 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.196 -4.220 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.237 -3.906 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.629 -5.398 0.547 1.00 0.00 H new ATOM 758 N MET A 51 -4.165 -6.751 1.907 1.00 0.00 N ATOM 759 CA MET A 51 -5.372 -7.556 1.823 1.00 0.00 C ATOM 760 C MET A 51 -6.290 -7.052 0.708 1.00 0.00 C ATOM 761 O MET A 51 -6.052 -5.989 0.135 1.00 0.00 O ATOM 762 CB MET A 51 -6.115 -7.503 3.159 1.00 0.00 C ATOM 763 CG MET A 51 -5.696 -8.662 4.066 1.00 0.00 C ATOM 764 SD MET A 51 -7.100 -9.712 4.403 1.00 0.00 S ATOM 765 CE MET A 51 -7.311 -10.470 2.801 1.00 0.00 C ATOM 0 H MET A 51 -4.187 -6.023 2.621 1.00 0.00 H new ATOM 0 HA MET A 51 -5.086 -8.583 1.597 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.910 -6.555 3.656 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.190 -7.544 2.983 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.905 -9.241 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.289 -8.275 5.000 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.152 -10.005 2.286 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.404 -10.333 2.212 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.506 -11.535 2.925 1.00 0.00 H new ATOM 775 N VAL A 52 -7.320 -7.838 0.432 1.00 0.00 N ATOM 776 CA VAL A 52 -8.275 -7.485 -0.604 1.00 0.00 C ATOM 777 C VAL A 52 -9.695 -7.736 -0.091 1.00 0.00 C ATOM 778 O VAL A 52 -9.897 -8.541 0.816 1.00 0.00 O ATOM 779 CB VAL A 52 -7.960 -8.251 -1.890 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.821 -7.752 -3.052 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.471 -8.159 -2.232 1.00 0.00 C ATOM 0 H VAL A 52 -7.514 -8.719 0.908 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.200 -6.425 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.202 -9.300 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.576 -8.314 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.875 -7.893 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.626 -6.693 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.274 -8.712 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.193 -7.114 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.884 -8.585 -1.419 1.00 0.00 H new ATOM 791 N LYS A 53 -10.641 -7.032 -0.695 1.00 0.00 N ATOM 792 CA LYS A 53 -12.036 -7.169 -0.310 1.00 0.00 C ATOM 793 C LYS A 53 -12.290 -8.600 0.169 1.00 0.00 C ATOM 794 O LYS A 53 -12.929 -8.809 1.199 1.00 0.00 O ATOM 795 CB LYS A 53 -12.952 -6.732 -1.455 1.00 0.00 C ATOM 796 CG LYS A 53 -12.981 -5.208 -1.582 1.00 0.00 C ATOM 797 CD LYS A 53 -14.357 -4.652 -1.209 1.00 0.00 C ATOM 798 CE LYS A 53 -14.260 -3.184 -0.789 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.609 -2.582 -0.694 1.00 0.00 N ATOM 0 H LYS A 53 -10.469 -6.365 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.268 -6.507 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.606 -7.172 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.961 -7.105 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.221 -4.771 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.733 -4.920 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.034 -4.747 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.782 -5.239 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.753 -3.107 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.659 -2.632 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.525 -1.586 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.080 -2.638 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.171 -3.099 0.012 1.00 0.00 H new ATOM 813 N GLY A 54 -11.777 -9.548 -0.601 1.00 0.00 N ATOM 814 CA GLY A 54 -11.941 -10.953 -0.268 1.00 0.00 C ATOM 815 C GLY A 54 -10.803 -11.791 -0.854 1.00 0.00 C ATOM 816 O GLY A 54 -11.043 -12.846 -1.440 1.00 0.00 O ATOM 0 H GLY A 54 -11.247 -9.371 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.966 -11.073 0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.896 -11.312 -0.651 1.00 0.00 H new ATOM 820 N GLY A 55 -9.589 -11.291 -0.676 1.00 0.00 N ATOM 821 CA GLY A 55 -8.414 -11.981 -1.180 1.00 0.00 C ATOM 822 C GLY A 55 -7.134 -11.236 -0.795 1.00 0.00 C ATOM 823 O GLY A 55 -7.179 -10.268 -0.037 1.00 0.00 O ATOM 0 H GLY A 55 -9.394 -10.416 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.383 -12.995 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.476 -12.068 -2.265 1.00 0.00 H new ATOM 827 N THR A 56 -6.023 -11.716 -1.334 1.00 0.00 N ATOM 828 CA THR A 56 -4.733 -11.108 -1.056 1.00 0.00 C ATOM 829 C THR A 56 -4.055 -10.678 -2.358 1.00 0.00 C ATOM 830 O THR A 56 -4.164 -11.362 -3.375 1.00 0.00 O ATOM 831 CB THR A 56 -3.906 -12.105 -0.241 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.725 -12.392 0.890 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.650 -11.471 0.360 1.00 0.00 C ATOM 0 H THR A 56 -5.990 -12.519 -1.962 1.00 0.00 H new ATOM 0 HA THR A 56 -4.844 -10.197 -0.467 1.00 0.00 H new ATOM 0 HB THR A 56 -3.621 -12.944 -0.875 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.266 -13.033 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.100 -12.221 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.018 -11.086 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.936 -10.653 1.021 1.00 0.00 H new ATOM 841 N LEU A 57 -3.369 -9.547 -2.285 1.00 0.00 N ATOM 842 CA LEU A 57 -2.673 -9.017 -3.445 1.00 0.00 C ATOM 843 C LEU A 57 -1.308 -9.697 -3.570 1.00 0.00 C ATOM 844 O LEU A 57 -0.501 -9.653 -2.643 1.00 0.00 O ATOM 845 CB LEU A 57 -2.595 -7.491 -3.373 1.00 0.00 C ATOM 846 CG LEU A 57 -3.072 -6.735 -4.614 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.799 -5.235 -4.483 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.454 -7.321 -5.885 1.00 0.00 C ATOM 0 H LEU A 57 -3.280 -8.983 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.227 -9.242 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.185 -7.157 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.561 -7.209 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.152 -6.859 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.148 -4.722 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.326 -4.844 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.728 -5.069 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.810 -6.765 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.368 -7.249 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.743 -8.367 -5.981 1.00 0.00 H new ATOM 860 N LYS A 58 -1.092 -10.311 -4.725 1.00 0.00 N ATOM 861 CA LYS A 58 0.161 -10.999 -4.983 1.00 0.00 C ATOM 862 C LYS A 58 1.226 -9.977 -5.388 1.00 0.00 C ATOM 863 O LYS A 58 0.923 -8.799 -5.569 1.00 0.00 O ATOM 864 CB LYS A 58 -0.042 -12.115 -6.010 1.00 0.00 C ATOM 865 CG LYS A 58 -0.532 -13.398 -5.336 1.00 0.00 C ATOM 866 CD LYS A 58 -0.542 -14.567 -6.323 1.00 0.00 C ATOM 867 CE LYS A 58 -1.893 -15.286 -6.308 1.00 0.00 C ATOM 868 NZ LYS A 58 -1.946 -16.266 -5.200 1.00 0.00 N ATOM 0 H LYS A 58 -1.764 -10.346 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 58 0.518 -11.491 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.765 -11.796 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.895 -12.309 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.112 -13.637 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.535 -13.244 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.332 -14.201 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.251 -15.270 -6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.697 -14.559 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.052 -15.794 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.869 -16.745 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.190 -16.970 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.816 -15.773 -4.294 1.00 0.00 H new ATOM 882 N ASP A 59 2.450 -10.466 -5.518 1.00 0.00 N ATOM 883 CA ASP A 59 3.561 -9.610 -5.898 1.00 0.00 C ATOM 884 C ASP A 59 4.258 -10.201 -7.126 1.00 0.00 C ATOM 885 O ASP A 59 5.184 -10.999 -6.994 1.00 0.00 O ATOM 886 CB ASP A 59 4.591 -9.512 -4.772 1.00 0.00 C ATOM 887 CG ASP A 59 4.533 -10.642 -3.742 1.00 0.00 C ATOM 888 OD1 ASP A 59 4.465 -11.809 -4.183 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.558 -10.313 -2.536 1.00 0.00 O ATOM 0 H ASP A 59 2.697 -11.444 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 59 3.164 -8.617 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.588 -9.493 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.453 -8.562 -4.255 1.00 0.00 H new ATOM 894 N ASP A 60 3.785 -9.786 -8.292 1.00 0.00 N ATOM 895 CA ASP A 60 4.351 -10.264 -9.542 1.00 0.00 C ATOM 896 C ASP A 60 3.304 -10.141 -10.651 1.00 0.00 C ATOM 897 O ASP A 60 3.624 -9.746 -11.770 1.00 0.00 O ATOM 898 CB ASP A 60 4.756 -11.736 -9.436 1.00 0.00 C ATOM 899 CG ASP A 60 6.253 -11.981 -9.238 1.00 0.00 C ATOM 900 OD1 ASP A 60 7.038 -11.244 -9.873 1.00 0.00 O ATOM 901 OD2 ASP A 60 6.579 -12.901 -8.456 1.00 0.00 O ATOM 0 H ASP A 60 3.016 -9.124 -8.397 1.00 0.00 H new ATOM 0 HA ASP A 60 5.232 -9.662 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.216 -12.187 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.435 -12.252 -10.341 1.00 0.00 H new ATOM 906 N ASP A 61 2.074 -10.488 -10.300 1.00 0.00 N ATOM 907 CA ASP A 61 0.978 -10.421 -11.252 1.00 0.00 C ATOM 908 C ASP A 61 -0.339 -10.237 -10.495 1.00 0.00 C ATOM 909 O ASP A 61 -0.608 -10.948 -9.528 1.00 0.00 O ATOM 910 CB ASP A 61 0.878 -11.711 -12.068 1.00 0.00 C ATOM 911 CG ASP A 61 2.147 -12.094 -12.831 1.00 0.00 C ATOM 912 OD1 ASP A 61 3.166 -12.342 -12.149 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.072 -12.130 -14.078 1.00 0.00 O ATOM 0 H ASP A 61 1.812 -10.816 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 61 1.165 -9.583 -11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.615 -12.528 -11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.060 -11.609 -12.781 1.00 0.00 H new ATOM 918 N TRP A 62 -1.125 -9.279 -10.963 1.00 0.00 N ATOM 919 CA TRP A 62 -2.407 -8.992 -10.343 1.00 0.00 C ATOM 920 C TRP A 62 -3.298 -10.226 -10.507 1.00 0.00 C ATOM 921 O TRP A 62 -3.733 -10.818 -9.520 1.00 0.00 O ATOM 922 CB TRP A 62 -3.029 -7.724 -10.929 1.00 0.00 C ATOM 923 CG TRP A 62 -2.421 -6.427 -10.391 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.352 -5.764 -10.851 1.00 0.00 C ATOM 925 CD2 TRP A 62 -2.894 -5.658 -9.264 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.102 -4.629 -10.108 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.069 -4.562 -9.112 1.00 0.00 C ATOM 928 CE3 TRP A 62 -3.983 -5.881 -8.403 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.246 -3.604 -8.107 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.146 -4.914 -7.404 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.324 -3.805 -7.237 1.00 0.00 C ATOM 0 H TRP A 62 -0.898 -8.691 -11.765 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.284 -8.790 -9.279 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.916 -7.744 -12.013 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.099 -7.726 -10.720 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.760 -6.079 -11.698 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.346 -3.961 -10.261 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.642 -6.731 -8.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.586 -2.755 -8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.968 -5.038 -6.715 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.516 -3.102 -6.440 1.00 0.00 H new ATOM 942 N GLY A 63 -3.544 -10.576 -11.761 1.00 0.00 N ATOM 943 CA GLY A 63 -4.375 -11.728 -12.067 1.00 0.00 C ATOM 944 C GLY A 63 -5.825 -11.308 -12.315 1.00 0.00 C ATOM 945 O GLY A 63 -6.123 -10.118 -12.407 1.00 0.00 O ATOM 0 H GLY A 63 -3.182 -10.082 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.985 -12.239 -12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.335 -12.439 -11.242 1.00 0.00 H new ATOM 949 N ASN A 64 -6.688 -12.307 -12.417 1.00 0.00 N ATOM 950 CA ASN A 64 -8.099 -12.056 -12.654 1.00 0.00 C ATOM 951 C ASN A 64 -8.733 -11.496 -11.379 1.00 0.00 C ATOM 952 O ASN A 64 -9.650 -12.097 -10.821 1.00 0.00 O ATOM 953 CB ASN A 64 -8.835 -13.347 -13.019 1.00 0.00 C ATOM 954 CG ASN A 64 -8.824 -13.574 -14.532 1.00 0.00 C ATOM 955 OD1 ASN A 64 -8.076 -14.381 -15.060 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.693 -12.820 -15.199 1.00 0.00 N ATOM 0 H ASN A 64 -6.437 -13.293 -12.340 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.182 -11.348 -13.479 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.365 -14.193 -12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.864 -13.297 -12.662 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.762 -12.898 -16.214 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.290 -12.164 -14.696 1.00 0.00 H new ATOM 963 N ILE A 65 -8.220 -10.350 -10.955 1.00 0.00 N ATOM 964 CA ILE A 65 -8.725 -9.702 -9.757 1.00 0.00 C ATOM 965 C ILE A 65 -9.632 -8.536 -10.156 1.00 0.00 C ATOM 966 O ILE A 65 -9.340 -7.816 -11.109 1.00 0.00 O ATOM 967 CB ILE A 65 -7.569 -9.295 -8.840 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.741 -10.514 -8.429 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.079 -8.513 -7.628 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.592 -10.110 -7.503 1.00 0.00 C ATOM 0 H ILE A 65 -7.460 -9.854 -11.420 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.333 -10.396 -9.177 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.909 -8.630 -9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.380 -11.239 -7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.342 -11.003 -9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.237 -8.236 -6.993 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.591 -7.612 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.773 -9.133 -7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.020 -10.995 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.941 -9.403 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.996 -9.643 -6.605 1.00 0.00 H new ATOM 982 N LYS A 66 -10.714 -8.387 -9.406 1.00 0.00 N ATOM 983 CA LYS A 66 -11.666 -7.321 -9.670 1.00 0.00 C ATOM 984 C LYS A 66 -11.259 -6.074 -8.884 1.00 0.00 C ATOM 985 O LYS A 66 -11.358 -6.048 -7.658 1.00 0.00 O ATOM 986 CB LYS A 66 -13.092 -7.793 -9.380 1.00 0.00 C ATOM 987 CG LYS A 66 -14.020 -6.605 -9.117 1.00 0.00 C ATOM 988 CD LYS A 66 -15.368 -6.796 -9.815 1.00 0.00 C ATOM 989 CE LYS A 66 -16.521 -6.364 -8.908 1.00 0.00 C ATOM 990 NZ LYS A 66 -16.935 -7.479 -8.027 1.00 0.00 N ATOM 0 H LYS A 66 -10.953 -8.986 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.653 -7.051 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.466 -8.371 -10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.091 -8.456 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.175 -6.491 -8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.550 -5.687 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.389 -6.216 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.492 -7.842 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.215 -5.510 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.366 -6.039 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.719 -7.168 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.246 -8.283 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.131 -7.770 -7.435 1.00 0.00 H new ATOM 1004 N MET A 67 -10.809 -5.069 -9.621 1.00 0.00 N ATOM 1005 CA MET A 67 -10.387 -3.821 -9.008 1.00 0.00 C ATOM 1006 C MET A 67 -11.390 -2.702 -9.296 1.00 0.00 C ATOM 1007 O MET A 67 -12.036 -2.696 -10.342 1.00 0.00 O ATOM 1008 CB MET A 67 -9.012 -3.426 -9.549 1.00 0.00 C ATOM 1009 CG MET A 67 -7.940 -4.423 -9.103 1.00 0.00 C ATOM 1010 SD MET A 67 -6.486 -3.549 -8.548 1.00 0.00 S ATOM 1011 CE MET A 67 -6.983 -3.146 -6.882 1.00 0.00 C ATOM 0 H MET A 67 -10.727 -5.094 -10.637 1.00 0.00 H new ATOM 0 HA MET A 67 -10.334 -3.967 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.044 -3.384 -10.638 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.753 -2.427 -9.199 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.326 -5.050 -8.299 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.683 -5.086 -9.929 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.107 -2.856 -6.301 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.694 -2.320 -6.904 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.452 -4.016 -6.422 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.488 -1.781 -8.348 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.401 -0.659 -8.487 1.00 0.00 C ATOM 1023 C LYS A 68 -11.885 0.518 -7.656 1.00 0.00 C ATOM 1024 O LYS A 68 -11.123 0.328 -6.710 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.828 -1.082 -8.133 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.906 -1.596 -6.694 1.00 0.00 C ATOM 1027 CD LYS A 68 -14.728 -2.884 -6.615 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.382 -3.034 -5.240 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.717 -2.395 -5.228 1.00 0.00 N ATOM 0 H LYS A 68 -10.950 -1.789 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.440 -0.326 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.504 -0.236 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.161 -1.860 -8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.901 -1.778 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.355 -0.835 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.496 -2.877 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.085 -3.742 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.476 -4.091 -4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.748 -2.580 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.147 -2.506 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.619 -1.383 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.324 -2.846 -5.941 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.321 1.709 -8.041 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.913 2.917 -7.344 1.00 0.00 C ATOM 1045 C ASN A 69 -12.921 3.225 -6.235 1.00 0.00 C ATOM 1046 O ASN A 69 -14.103 3.434 -6.506 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.875 4.115 -8.295 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.128 4.160 -9.171 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.093 3.330 -10.209 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.065 4.901 -8.920 1.00 0.00 N flip ATOM 0 H ASN A 69 -12.953 1.863 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.917 2.750 -6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.796 5.038 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.988 4.055 -8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.027 5.514 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.886 4.907 -9.525 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.418 3.244 -5.010 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.259 3.524 -3.859 1.00 0.00 C ATOM 1059 C GLY A 70 -12.998 2.522 -2.732 1.00 0.00 C ATOM 1060 O GLY A 70 -12.987 2.891 -1.559 1.00 0.00 O ATOM 0 H GLY A 70 -11.438 3.070 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.068 4.536 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.308 3.482 -4.152 1.00 0.00 H new ATOM 1064 N MET A 71 -12.794 1.275 -3.129 1.00 0.00 N ATOM 1065 CA MET A 71 -12.534 0.217 -2.167 1.00 0.00 C ATOM 1066 C MET A 71 -11.439 0.630 -1.181 1.00 0.00 C ATOM 1067 O MET A 71 -10.777 1.649 -1.373 1.00 0.00 O ATOM 1068 CB MET A 71 -12.103 -1.051 -2.906 1.00 0.00 C ATOM 1069 CG MET A 71 -10.814 -0.814 -3.696 1.00 0.00 C ATOM 1070 SD MET A 71 -10.658 -2.033 -4.991 1.00 0.00 S ATOM 1071 CE MET A 71 -10.650 -3.526 -4.011 1.00 0.00 C ATOM 0 H MET A 71 -12.803 0.973 -4.103 1.00 0.00 H new ATOM 0 HA MET A 71 -13.450 0.028 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.952 -1.859 -2.191 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.896 -1.369 -3.583 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.821 0.187 -4.127 1.00 0.00 H new ATOM 0 HG3 MET A 71 -9.954 -0.868 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.872 -4.197 -4.376 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.453 -3.276 -2.968 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.620 -4.018 -4.089 1.00 0.00 H new ATOM 1081 N THR A 72 -11.283 -0.182 -0.145 1.00 0.00 N ATOM 1082 CA THR A 72 -10.280 0.086 0.871 1.00 0.00 C ATOM 1083 C THR A 72 -9.259 -1.052 0.927 1.00 0.00 C ATOM 1084 O THR A 72 -9.625 -2.224 0.842 1.00 0.00 O ATOM 1085 CB THR A 72 -11.003 0.319 2.199 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.267 1.719 2.210 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.091 0.102 3.408 1.00 0.00 C ATOM 0 H THR A 72 -11.835 -1.025 0.012 1.00 0.00 H new ATOM 0 HA THR A 72 -9.707 0.983 0.634 1.00 0.00 H new ATOM 0 HB THR A 72 -11.861 -0.350 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.736 1.957 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.653 0.280 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.719 -0.923 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.250 0.794 3.358 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.999 -0.668 1.068 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.923 -1.642 1.136 1.00 0.00 C ATOM 1097 C VAL A 73 -6.422 -1.743 2.578 1.00 0.00 C ATOM 1098 O VAL A 73 -6.078 -0.734 3.191 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.818 -1.271 0.144 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.559 -2.105 0.388 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.304 -1.421 -1.299 1.00 0.00 C ATOM 0 H VAL A 73 -7.699 0.304 1.137 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.283 -2.629 0.847 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.562 -0.224 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.790 -1.821 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.194 -1.926 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.794 -3.163 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.500 -1.151 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.601 -2.454 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.158 -0.764 -1.465 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.397 -2.970 3.077 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.944 -3.215 4.436 1.00 0.00 C ATOM 1113 C LEU A 74 -4.498 -3.714 4.404 1.00 0.00 C ATOM 1114 O LEU A 74 -4.180 -4.661 3.686 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.905 -4.161 5.159 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.978 -4.010 6.679 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.616 -4.278 7.323 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.537 -2.640 7.068 1.00 0.00 C ATOM 0 H LEU A 74 -6.683 -3.805 2.565 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.950 -2.290 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.905 -4.013 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.615 -5.186 4.929 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.669 -4.760 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.696 -4.164 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.296 -5.293 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.885 -3.568 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.578 -2.559 8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.891 -1.857 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.540 -2.526 6.657 1.00 0.00 H new ATOM 1130 N MET A 75 -3.661 -3.055 5.192 1.00 0.00 N ATOM 1131 CA MET A 75 -2.256 -3.420 5.263 1.00 0.00 C ATOM 1132 C MET A 75 -1.883 -3.892 6.670 1.00 0.00 C ATOM 1133 O MET A 75 -2.456 -3.430 7.656 1.00 0.00 O ATOM 1134 CB MET A 75 -1.395 -2.214 4.884 1.00 0.00 C ATOM 1135 CG MET A 75 0.023 -2.649 4.508 1.00 0.00 C ATOM 1136 SD MET A 75 1.090 -2.550 5.935 1.00 0.00 S ATOM 1137 CE MET A 75 1.922 -1.008 5.595 1.00 0.00 C ATOM 0 H MET A 75 -3.929 -2.271 5.787 1.00 0.00 H new ATOM 0 HA MET A 75 -2.077 -4.238 4.566 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.851 -1.686 4.047 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.355 -1.514 5.719 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.010 -3.669 4.124 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.408 -2.013 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.979 -1.198 5.411 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.479 -0.542 4.715 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.816 -0.341 6.451 1.00 0.00 H new ATOM 1147 N MET A 76 -0.924 -4.806 6.719 1.00 0.00 N ATOM 1148 CA MET A 76 -0.468 -5.345 7.988 1.00 0.00 C ATOM 1149 C MET A 76 1.048 -5.554 7.982 1.00 0.00 C ATOM 1150 O MET A 76 1.610 -6.019 6.991 1.00 0.00 O ATOM 1151 CB MET A 76 -1.167 -6.679 8.257 1.00 0.00 C ATOM 1152 CG MET A 76 -2.633 -6.463 8.637 1.00 0.00 C ATOM 1153 SD MET A 76 -2.852 -6.711 10.392 1.00 0.00 S ATOM 1154 CE MET A 76 -1.868 -5.360 11.020 1.00 0.00 C ATOM 0 H MET A 76 -0.451 -5.186 5.899 1.00 0.00 H new ATOM 0 HA MET A 76 -0.714 -4.631 8.774 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.107 -7.310 7.371 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.653 -7.207 9.060 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.944 -5.455 8.362 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.267 -7.154 8.082 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.021 -5.267 12.095 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.814 -5.553 10.819 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.167 -4.434 10.530 1.00 0.00 H new ATOM 1164 N GLY A 77 1.666 -5.201 9.099 1.00 0.00 N ATOM 1165 CA GLY A 77 3.106 -5.344 9.235 1.00 0.00 C ATOM 1166 C GLY A 77 3.717 -4.120 9.919 1.00 0.00 C ATOM 1167 O GLY A 77 3.030 -3.125 10.149 1.00 0.00 O ATOM 0 H GLY A 77 1.196 -4.816 9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.333 -6.239 9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.556 -5.478 8.251 1.00 0.00 H new ATOM 1171 N SER A 78 5.001 -4.232 10.225 1.00 0.00 N ATOM 1172 CA SER A 78 5.712 -3.146 10.878 1.00 0.00 C ATOM 1173 C SER A 78 7.048 -2.897 10.175 1.00 0.00 C ATOM 1174 O SER A 78 7.528 -3.748 9.427 1.00 0.00 O ATOM 1175 CB SER A 78 5.942 -3.451 12.360 1.00 0.00 C ATOM 1176 OG SER A 78 4.808 -3.118 13.156 1.00 0.00 O ATOM 0 H SER A 78 5.568 -5.058 10.033 1.00 0.00 H new ATOM 0 HA SER A 78 5.099 -2.247 10.810 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.171 -4.510 12.481 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.810 -2.894 12.714 1.00 0.00 H new ATOM 0 HG SER A 78 4.994 -3.329 14.095 1.00 0.00 H new ATOM 1182 N ALA A 79 7.610 -1.727 10.439 1.00 0.00 N ATOM 1183 CA ALA A 79 8.881 -1.355 9.840 1.00 0.00 C ATOM 1184 C ALA A 79 9.932 -1.200 10.940 1.00 0.00 C ATOM 1185 O ALA A 79 10.363 -0.087 11.240 1.00 0.00 O ATOM 1186 CB ALA A 79 8.704 -0.076 9.018 1.00 0.00 C ATOM 0 H ALA A 79 7.209 -1.024 11.060 1.00 0.00 H new ATOM 0 HA ALA A 79 9.227 -2.134 9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.657 0.203 8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.969 -0.248 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.360 0.729 9.667 1.00 0.00 H new