USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 588 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 Single : A 3 GLN : amide:sc= -1.89! C(o=-1.9!,f=-2.1!) USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= -0.0672 (180deg=-0.988) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00558) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0572 K(o=-0.057,f=-1.6!) USER MOD Single : A 13 THR OG1 : rot -90:sc= -1.94! USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0.93 (180deg=0.912) USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.00712) USER MOD Single : A 19 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.824) USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= 0.646 (180deg=-1.98) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00947 USER MOD Single : A 33 ASN : amide:sc= -1.97! C(o=-2!,f=-4.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0827 USER MOD Single : A 38 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.011) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -153:sc= -1.48 (180deg=-2.36!) USER MOD Single : A 45 ASN : amide:sc= -0.0274 X(o=-0.027,f=0.43) USER MOD Single : A 49 TYR OH : rot -18:sc= -2.63! USER MOD Single : A 50 SER OG : rot -32:sc= 0.0593 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.106 USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 0.759! (180deg=-0.214!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.907 F(o=-2.9,f=-0.91) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 65 TYR OH : rot -140:sc= 0.615 USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.944 (180deg=0.9) USER MOD Single : A 68 GLN : amide:sc=-0.00678 K(o=-0.0068,f=-0.82) USER MOD Single : A 69 THR OG1 : rot 27:sc= 0.824 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 3 4.493 -18.076 0.293 1.00 0.00 N ATOM 2 CA GLN A 3 5.604 -17.563 1.146 1.00 0.00 C ATOM 3 C GLN A 3 6.472 -16.582 0.352 1.00 0.00 C ATOM 4 O GLN A 3 6.417 -16.546 -0.862 1.00 0.00 O ATOM 5 CB GLN A 3 6.412 -18.803 1.535 1.00 0.00 C ATOM 6 CG GLN A 3 7.234 -19.274 0.335 1.00 0.00 C ATOM 7 CD GLN A 3 7.788 -20.673 0.610 1.00 0.00 C ATOM 8 OE1 GLN A 3 7.471 -21.279 1.613 1.00 0.00 O ATOM 9 NE2 GLN A 3 8.609 -21.214 -0.249 1.00 0.00 N ATOM 0 HA GLN A 3 5.238 -17.025 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.071 -18.573 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.743 -19.597 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.613 -19.287 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.052 -18.579 0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.875 -20.704 -1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.985 -22.147 -0.078 1.00 0.00 H new ATOM 20 N PRO A 4 7.248 -15.818 1.069 1.00 0.00 N ATOM 21 CA PRO A 4 8.143 -14.822 0.429 1.00 0.00 C ATOM 22 C PRO A 4 9.331 -15.521 -0.241 1.00 0.00 C ATOM 23 O PRO A 4 10.474 -15.187 0.002 1.00 0.00 O ATOM 24 CB PRO A 4 8.616 -13.964 1.598 1.00 0.00 C ATOM 25 CG PRO A 4 8.495 -14.848 2.800 1.00 0.00 C ATOM 26 CD PRO A 4 7.363 -15.807 2.532 1.00 0.00 C ATOM 0 HA PRO A 4 7.648 -14.243 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.644 -13.632 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.004 -13.068 1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.425 -15.389 2.976 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.296 -14.257 3.694 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.580 -16.801 2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.438 -15.475 3.003 1.00 0.00 H new ATOM 34 N ALA A 5 9.073 -16.486 -1.079 1.00 0.00 N ATOM 35 CA ALA A 5 10.194 -17.200 -1.756 1.00 0.00 C ATOM 36 C ALA A 5 10.675 -16.397 -2.967 1.00 0.00 C ATOM 37 O ALA A 5 11.677 -16.715 -3.577 1.00 0.00 O ATOM 38 CB ALA A 5 9.604 -18.539 -2.202 1.00 0.00 C ATOM 0 H ALA A 5 8.138 -16.811 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 5 11.054 -17.334 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.371 -19.123 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.248 -19.088 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.772 -18.361 -2.884 1.00 0.00 H new ATOM 44 N LYS A 6 9.972 -15.356 -3.319 1.00 0.00 N ATOM 45 CA LYS A 6 10.392 -14.534 -4.489 1.00 0.00 C ATOM 46 C LYS A 6 11.453 -13.515 -4.065 1.00 0.00 C ATOM 47 O LYS A 6 12.131 -13.689 -3.072 1.00 0.00 O ATOM 48 CB LYS A 6 9.118 -13.825 -4.951 1.00 0.00 C ATOM 49 CG LYS A 6 8.125 -14.857 -5.490 1.00 0.00 C ATOM 50 CD LYS A 6 7.165 -15.272 -4.374 1.00 0.00 C ATOM 51 CE LYS A 6 5.721 -15.106 -4.852 1.00 0.00 C ATOM 52 NZ LYS A 6 5.560 -13.645 -5.091 1.00 0.00 N ATOM 0 H LYS A 6 9.125 -15.039 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 6 10.833 -15.137 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.673 -13.276 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.356 -13.095 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.567 -14.438 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.659 -15.729 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.348 -16.308 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.337 -14.663 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.538 -15.677 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.014 -15.464 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.610 -13.347 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.274 -13.123 -4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.684 -13.443 -6.104 1.00 0.00 H new ATOM 66 N LYS A 7 11.603 -12.454 -4.809 1.00 0.00 N ATOM 67 CA LYS A 7 12.621 -11.428 -4.445 1.00 0.00 C ATOM 68 C LYS A 7 11.977 -10.310 -3.620 1.00 0.00 C ATOM 69 O LYS A 7 10.810 -10.008 -3.770 1.00 0.00 O ATOM 70 CB LYS A 7 13.126 -10.882 -5.782 1.00 0.00 C ATOM 71 CG LYS A 7 14.656 -10.883 -5.790 1.00 0.00 C ATOM 72 CD LYS A 7 15.158 -10.407 -7.154 1.00 0.00 C ATOM 73 CE LYS A 7 15.600 -8.946 -7.053 1.00 0.00 C ATOM 74 NZ LYS A 7 14.497 -8.169 -7.683 1.00 0.00 N ATOM 0 H LYS A 7 11.066 -12.253 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 7 13.427 -11.844 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.747 -11.492 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.752 -9.870 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.035 -10.231 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.031 -11.885 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.991 -11.028 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.369 -10.509 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.750 -8.649 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.545 -8.782 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.755 -7.162 -7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.337 -8.515 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.627 -8.286 -7.125 1.00 0.00 H new ATOM 88 N THR A 8 12.731 -9.693 -2.752 1.00 0.00 N ATOM 89 CA THR A 8 12.163 -8.594 -1.919 1.00 0.00 C ATOM 90 C THR A 8 12.370 -7.248 -2.616 1.00 0.00 C ATOM 91 O THR A 8 13.345 -7.041 -3.311 1.00 0.00 O ATOM 92 CB THR A 8 12.947 -8.644 -0.605 1.00 0.00 C ATOM 93 OG1 THR A 8 12.477 -9.728 0.183 1.00 0.00 O ATOM 94 CG2 THR A 8 12.751 -7.332 0.159 1.00 0.00 C ATOM 0 H THR A 8 13.715 -9.902 -2.583 1.00 0.00 H new ATOM 0 HA THR A 8 11.091 -8.709 -1.757 1.00 0.00 H new ATOM 0 HB THR A 8 14.007 -8.782 -0.819 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.979 -9.763 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.310 -7.369 1.094 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.112 -6.501 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.692 -7.191 0.374 1.00 0.00 H new ATOM 102 N TYR A 9 11.461 -6.331 -2.436 1.00 0.00 N ATOM 103 CA TYR A 9 11.608 -4.999 -3.087 1.00 0.00 C ATOM 104 C TYR A 9 12.423 -4.064 -2.188 1.00 0.00 C ATOM 105 O TYR A 9 12.521 -4.267 -0.994 1.00 0.00 O ATOM 106 CB TYR A 9 10.187 -4.460 -3.228 1.00 0.00 C ATOM 107 CG TYR A 9 9.497 -5.068 -4.425 1.00 0.00 C ATOM 108 CD1 TYR A 9 9.841 -6.350 -4.870 1.00 0.00 C ATOM 109 CD2 TYR A 9 8.505 -4.339 -5.090 1.00 0.00 C ATOM 110 CE1 TYR A 9 9.190 -6.902 -5.981 1.00 0.00 C ATOM 111 CE2 TYR A 9 7.854 -4.889 -6.198 1.00 0.00 C ATOM 112 CZ TYR A 9 8.196 -6.171 -6.646 1.00 0.00 C ATOM 113 OH TYR A 9 7.554 -6.715 -7.740 1.00 0.00 O ATOM 0 H TYR A 9 10.623 -6.446 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 9 12.121 -5.071 -4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.619 -4.681 -2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.214 -3.375 -3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.607 -6.913 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.242 -3.349 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.454 -7.891 -6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.087 -4.325 -6.709 1.00 0.00 H new ATOM 0 HH TYR A 9 6.893 -6.078 -8.082 1.00 0.00 H new ATOM 123 N THR A 10 12.998 -3.037 -2.747 1.00 0.00 N ATOM 124 CA THR A 10 13.792 -2.085 -1.918 1.00 0.00 C ATOM 125 C THR A 10 13.368 -0.645 -2.222 1.00 0.00 C ATOM 126 O THR A 10 13.104 -0.296 -3.356 1.00 0.00 O ATOM 127 CB THR A 10 15.245 -2.324 -2.324 1.00 0.00 C ATOM 128 OG1 THR A 10 15.471 -1.778 -3.616 1.00 0.00 O ATOM 129 CG2 THR A 10 15.523 -3.826 -2.343 1.00 0.00 C ATOM 0 H THR A 10 12.953 -2.814 -3.741 1.00 0.00 H new ATOM 0 HA THR A 10 13.643 -2.237 -0.849 1.00 0.00 H new ATOM 0 HB THR A 10 15.911 -1.841 -1.608 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.404 -1.929 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.559 -4.001 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.349 -4.241 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.860 -4.310 -3.060 1.00 0.00 H new ATOM 137 N TRP A 11 13.297 0.192 -1.224 1.00 0.00 N ATOM 138 CA TRP A 11 12.884 1.605 -1.468 1.00 0.00 C ATOM 139 C TRP A 11 13.885 2.576 -0.837 1.00 0.00 C ATOM 140 O TRP A 11 14.336 2.383 0.275 1.00 0.00 O ATOM 141 CB TRP A 11 11.517 1.743 -0.798 1.00 0.00 C ATOM 142 CG TRP A 11 10.469 1.138 -1.669 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.837 1.776 -2.679 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.919 -0.210 -1.628 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.928 0.910 -3.255 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.943 -0.328 -2.644 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.168 -1.330 -0.814 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.237 -1.513 -2.845 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.462 -2.525 -1.017 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.499 -2.615 -2.029 1.00 0.00 C ATOM 0 H TRP A 11 13.506 -0.039 -0.253 1.00 0.00 H new ATOM 0 HA TRP A 11 12.846 1.838 -2.532 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.526 1.249 0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.293 2.795 -0.619 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.014 2.796 -2.986 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.320 1.155 -4.036 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.907 -1.269 -0.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.493 -1.578 -3.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.663 -3.380 -0.389 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.958 -3.538 -2.179 1.00 0.00 H new ATOM 161 N ASN A 12 14.225 3.622 -1.537 1.00 0.00 N ATOM 162 CA ASN A 12 15.187 4.617 -0.980 1.00 0.00 C ATOM 163 C ASN A 12 14.532 6.000 -0.932 1.00 0.00 C ATOM 164 O ASN A 12 14.930 6.861 -0.172 1.00 0.00 O ATOM 165 CB ASN A 12 16.370 4.616 -1.947 1.00 0.00 C ATOM 166 CG ASN A 12 17.579 5.273 -1.275 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.469 5.812 -0.192 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.736 5.250 -1.877 1.00 0.00 N ATOM 0 H ASN A 12 13.878 3.832 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 12 15.498 4.371 0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.614 3.595 -2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.109 5.155 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.548 5.684 -1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 12 18.829 4.797 -2.786 1.00 0.00 H new ATOM 175 N THR A 13 13.527 6.219 -1.738 1.00 0.00 N ATOM 176 CA THR A 13 12.843 7.544 -1.740 1.00 0.00 C ATOM 177 C THR A 13 11.430 7.406 -1.164 1.00 0.00 C ATOM 178 O THR A 13 10.812 6.365 -1.253 1.00 0.00 O ATOM 179 CB THR A 13 12.785 7.958 -3.211 1.00 0.00 C ATOM 180 OG1 THR A 13 12.246 6.891 -3.980 1.00 0.00 O ATOM 181 CG2 THR A 13 14.196 8.287 -3.707 1.00 0.00 C ATOM 0 H THR A 13 13.150 5.536 -2.396 1.00 0.00 H new ATOM 0 HA THR A 13 13.365 8.282 -1.131 1.00 0.00 H new ATOM 0 HB THR A 13 12.152 8.839 -3.317 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.973 6.309 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.154 8.582 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.608 9.105 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.832 7.408 -3.603 1.00 0.00 H new ATOM 189 N LYS A 14 10.919 8.449 -0.570 1.00 0.00 N ATOM 190 CA LYS A 14 9.549 8.378 0.017 1.00 0.00 C ATOM 191 C LYS A 14 8.502 8.200 -1.087 1.00 0.00 C ATOM 192 O LYS A 14 7.468 7.595 -0.882 1.00 0.00 O ATOM 193 CB LYS A 14 9.353 9.717 0.727 1.00 0.00 C ATOM 194 CG LYS A 14 8.296 9.566 1.822 1.00 0.00 C ATOM 195 CD LYS A 14 8.911 8.861 3.033 1.00 0.00 C ATOM 196 CE LYS A 14 7.838 8.035 3.745 1.00 0.00 C ATOM 197 NZ LYS A 14 8.503 6.742 4.071 1.00 0.00 N ATOM 0 H LYS A 14 11.390 9.348 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 14 9.438 7.533 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.295 10.052 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.043 10.478 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.916 10.545 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.448 8.993 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.729 8.215 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.333 9.596 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.487 8.537 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.968 7.882 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.852 6.146 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.760 6.252 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.361 6.924 4.629 1.00 0.00 H new ATOM 211 N GLU A 15 8.759 8.724 -2.254 1.00 0.00 N ATOM 212 CA GLU A 15 7.775 8.587 -3.367 1.00 0.00 C ATOM 213 C GLU A 15 7.700 7.135 -3.839 1.00 0.00 C ATOM 214 O GLU A 15 6.633 6.582 -4.014 1.00 0.00 O ATOM 215 CB GLU A 15 8.311 9.486 -4.482 1.00 0.00 C ATOM 216 CG GLU A 15 7.620 9.134 -5.803 1.00 0.00 C ATOM 217 CD GLU A 15 7.393 10.410 -6.615 1.00 0.00 C ATOM 218 OE1 GLU A 15 6.423 11.099 -6.341 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.192 10.679 -7.496 1.00 0.00 O ATOM 0 H GLU A 15 9.607 9.241 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 15 6.768 8.870 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.134 10.533 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.389 9.359 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.232 8.433 -6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.668 8.640 -5.608 1.00 0.00 H new ATOM 226 N GLU A 16 8.825 6.518 -4.051 1.00 0.00 N ATOM 227 CA GLU A 16 8.827 5.103 -4.521 1.00 0.00 C ATOM 228 C GLU A 16 8.153 4.199 -3.490 1.00 0.00 C ATOM 229 O GLU A 16 7.331 3.367 -3.821 1.00 0.00 O ATOM 230 CB GLU A 16 10.304 4.742 -4.682 1.00 0.00 C ATOM 231 CG GLU A 16 10.772 5.133 -6.084 1.00 0.00 C ATOM 232 CD GLU A 16 11.008 3.870 -6.913 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.436 2.847 -6.573 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.757 3.946 -7.873 1.00 0.00 O ATOM 0 H GLU A 16 9.748 6.932 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 16 8.276 4.975 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.900 5.259 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.448 3.673 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.024 5.763 -6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.690 5.718 -6.023 1.00 0.00 H new ATOM 241 N ALA A 17 8.488 4.356 -2.242 1.00 0.00 N ATOM 242 CA ALA A 17 7.859 3.506 -1.192 1.00 0.00 C ATOM 243 C ALA A 17 6.352 3.768 -1.152 1.00 0.00 C ATOM 244 O ALA A 17 5.546 2.855 -1.138 1.00 0.00 O ATOM 245 CB ALA A 17 8.517 3.948 0.115 1.00 0.00 C ATOM 0 H ALA A 17 9.169 5.035 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 17 7.996 2.440 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.108 3.368 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.593 3.784 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.320 5.007 0.282 1.00 0.00 H new ATOM 251 N LYS A 18 5.967 5.014 -1.147 1.00 0.00 N ATOM 252 CA LYS A 18 4.518 5.349 -1.119 1.00 0.00 C ATOM 253 C LYS A 18 3.849 4.861 -2.404 1.00 0.00 C ATOM 254 O LYS A 18 2.734 4.373 -2.395 1.00 0.00 O ATOM 255 CB LYS A 18 4.472 6.876 -1.036 1.00 0.00 C ATOM 256 CG LYS A 18 3.221 7.311 -0.273 1.00 0.00 C ATOM 257 CD LYS A 18 3.380 8.765 0.179 1.00 0.00 C ATOM 258 CE LYS A 18 2.020 9.319 0.610 1.00 0.00 C ATOM 259 NZ LYS A 18 1.395 9.822 -0.646 1.00 0.00 N ATOM 0 H LYS A 18 6.597 5.816 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 18 3.994 4.880 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.365 7.250 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.466 7.305 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.341 7.210 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.066 6.665 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.087 8.824 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.788 9.367 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.408 8.546 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.133 10.118 1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.361 9.836 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.736 10.785 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.652 9.196 -1.436 1.00 0.00 H new ATOM 273 N GLN A 19 4.526 4.984 -3.514 1.00 0.00 N ATOM 274 CA GLN A 19 3.937 4.528 -4.802 1.00 0.00 C ATOM 275 C GLN A 19 3.813 3.003 -4.811 1.00 0.00 C ATOM 276 O GLN A 19 2.854 2.454 -5.316 1.00 0.00 O ATOM 277 CB GLN A 19 4.916 4.999 -5.876 1.00 0.00 C ATOM 278 CG GLN A 19 4.359 4.663 -7.260 1.00 0.00 C ATOM 279 CD GLN A 19 5.471 4.072 -8.124 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.608 4.417 -9.281 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.279 3.190 -7.606 1.00 0.00 N ATOM 0 H GLN A 19 5.463 5.381 -3.582 1.00 0.00 H new ATOM 0 HA GLN A 19 2.936 4.928 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.078 6.073 -5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.884 4.518 -5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.537 3.953 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.956 5.560 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.163 2.901 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.027 2.789 -8.172 1.00 0.00 H new ATOM 290 N ALA A 20 4.767 2.310 -4.250 1.00 0.00 N ATOM 291 CA ALA A 20 4.678 0.822 -4.226 1.00 0.00 C ATOM 292 C ALA A 20 3.530 0.398 -3.312 1.00 0.00 C ATOM 293 O ALA A 20 2.874 -0.600 -3.539 1.00 0.00 O ATOM 294 CB ALA A 20 6.021 0.341 -3.673 1.00 0.00 C ATOM 0 H ALA A 20 5.598 2.706 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 20 4.484 0.398 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.027 -0.748 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.826 0.681 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.169 0.747 -2.672 1.00 0.00 H new ATOM 300 N PHE A 21 3.278 1.155 -2.280 1.00 0.00 N ATOM 301 CA PHE A 21 2.167 0.803 -1.352 1.00 0.00 C ATOM 302 C PHE A 21 0.818 1.022 -2.046 1.00 0.00 C ATOM 303 O PHE A 21 -0.068 0.187 -1.988 1.00 0.00 O ATOM 304 CB PHE A 21 2.333 1.755 -0.166 1.00 0.00 C ATOM 305 CG PHE A 21 1.852 1.084 1.096 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.670 0.151 1.747 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.592 1.396 1.621 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.227 -0.468 2.921 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.150 0.775 2.794 1.00 0.00 C ATOM 310 CZ PHE A 21 0.968 -0.156 3.445 1.00 0.00 C ATOM 0 H PHE A 21 3.793 2.002 -2.039 1.00 0.00 H new ATOM 0 HA PHE A 21 2.194 -0.241 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.379 2.041 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.768 2.671 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.642 -0.090 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.038 2.116 1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.857 -1.187 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.823 1.014 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.627 -0.633 4.352 1.00 0.00 H new ATOM 320 N LYS A 22 0.654 2.127 -2.725 1.00 0.00 N ATOM 321 CA LYS A 22 -0.631 2.364 -3.430 1.00 0.00 C ATOM 322 C LYS A 22 -0.692 1.430 -4.646 1.00 0.00 C ATOM 323 O LYS A 22 -1.693 0.787 -4.902 1.00 0.00 O ATOM 324 CB LYS A 22 -0.596 3.858 -3.812 1.00 0.00 C ATOM 325 CG LYS A 22 -0.673 4.037 -5.327 1.00 0.00 C ATOM 326 CD LYS A 22 -0.490 5.515 -5.682 1.00 0.00 C ATOM 327 CE LYS A 22 -0.737 5.711 -7.179 1.00 0.00 C ATOM 328 NZ LYS A 22 0.066 6.912 -7.547 1.00 0.00 N ATOM 0 H LYS A 22 1.350 2.867 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.521 2.154 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.428 4.378 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.320 4.312 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.097 3.438 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.635 3.681 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.182 6.128 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.517 5.841 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.423 4.836 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.796 5.865 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.052 7.111 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.260 7.730 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.070 6.734 -7.344 1.00 0.00 H new ATOM 342 N GLU A 23 0.390 1.321 -5.374 1.00 0.00 N ATOM 343 CA GLU A 23 0.403 0.398 -6.542 1.00 0.00 C ATOM 344 C GLU A 23 0.122 -1.013 -6.033 1.00 0.00 C ATOM 345 O GLU A 23 -0.528 -1.809 -6.681 1.00 0.00 O ATOM 346 CB GLU A 23 1.816 0.493 -7.121 1.00 0.00 C ATOM 347 CG GLU A 23 1.991 -0.563 -8.214 1.00 0.00 C ATOM 348 CD GLU A 23 2.403 0.118 -9.521 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.211 1.029 -9.460 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.904 -0.283 -10.559 1.00 0.00 O ATOM 0 H GLU A 23 1.259 1.829 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.343 0.646 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.986 1.488 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.554 0.342 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.748 -1.289 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.060 -1.113 -8.356 1.00 0.00 H new ATOM 357 N LEU A 24 0.594 -1.307 -4.851 1.00 0.00 N ATOM 358 CA LEU A 24 0.352 -2.643 -4.249 1.00 0.00 C ATOM 359 C LEU A 24 -1.155 -2.841 -4.073 1.00 0.00 C ATOM 360 O LEU A 24 -1.706 -3.863 -4.430 1.00 0.00 O ATOM 361 CB LEU A 24 1.069 -2.565 -2.900 1.00 0.00 C ATOM 362 CG LEU A 24 0.688 -3.744 -2.009 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.970 -5.048 -2.745 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.529 -3.690 -0.726 1.00 0.00 C ATOM 0 H LEU A 24 1.142 -0.669 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 24 0.711 -3.478 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.148 -2.557 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.813 -1.630 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.372 -3.692 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.698 -5.891 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.383 -5.082 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.031 -5.106 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.264 -4.529 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.587 -3.749 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.334 -2.754 -0.202 1.00 0.00 H new ATOM 376 N LEU A 25 -1.830 -1.854 -3.547 1.00 0.00 N ATOM 377 CA LEU A 25 -3.305 -1.978 -3.377 1.00 0.00 C ATOM 378 C LEU A 25 -3.972 -2.200 -4.737 1.00 0.00 C ATOM 379 O LEU A 25 -4.922 -2.955 -4.861 1.00 0.00 O ATOM 380 CB LEU A 25 -3.752 -0.650 -2.773 1.00 0.00 C ATOM 381 CG LEU A 25 -3.743 -0.755 -1.252 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.894 0.370 -0.661 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.178 -0.635 -0.741 1.00 0.00 C ATOM 0 H LEU A 25 -1.426 -0.973 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.578 -2.822 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.088 0.151 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.752 -0.396 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.320 -1.714 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.891 0.291 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.873 0.290 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.312 1.333 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.184 -0.709 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.592 0.327 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.783 -1.438 -1.163 1.00 0.00 H new ATOM 395 N LYS A 26 -3.483 -1.551 -5.762 1.00 0.00 N ATOM 396 CA LYS A 26 -4.088 -1.734 -7.113 1.00 0.00 C ATOM 397 C LYS A 26 -3.913 -3.185 -7.556 1.00 0.00 C ATOM 398 O LYS A 26 -4.833 -3.809 -8.049 1.00 0.00 O ATOM 399 CB LYS A 26 -3.313 -0.792 -8.034 1.00 0.00 C ATOM 400 CG LYS A 26 -4.032 -0.695 -9.383 1.00 0.00 C ATOM 401 CD LYS A 26 -3.458 -1.737 -10.344 1.00 0.00 C ATOM 402 CE LYS A 26 -4.562 -2.221 -11.288 1.00 0.00 C ATOM 403 NZ LYS A 26 -5.111 -0.982 -11.905 1.00 0.00 N ATOM 0 H LYS A 26 -2.694 -0.905 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.156 -1.515 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.234 0.196 -7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.297 -1.159 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.101 -0.858 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.912 0.305 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.637 -1.306 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.049 -2.578 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.165 -2.897 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.334 -2.767 -10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.523 -1.209 -12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.847 -0.583 -11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.347 -0.287 -12.027 1.00 0.00 H new ATOM 417 N GLU A 27 -2.744 -3.735 -7.369 1.00 0.00 N ATOM 418 CA GLU A 27 -2.525 -5.154 -7.760 1.00 0.00 C ATOM 419 C GLU A 27 -3.385 -6.048 -6.868 1.00 0.00 C ATOM 420 O GLU A 27 -3.756 -7.145 -7.234 1.00 0.00 O ATOM 421 CB GLU A 27 -1.037 -5.412 -7.521 1.00 0.00 C ATOM 422 CG GLU A 27 -0.337 -5.651 -8.861 1.00 0.00 C ATOM 423 CD GLU A 27 0.579 -4.467 -9.177 1.00 0.00 C ATOM 424 OE1 GLU A 27 0.385 -3.419 -8.583 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.459 -4.629 -10.007 1.00 0.00 O ATOM 0 H GLU A 27 -1.935 -3.264 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.797 -5.360 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.587 -4.560 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.907 -6.278 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.243 -6.573 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.076 -5.774 -9.653 1.00 0.00 H new ATOM 432 N LYS A 28 -3.714 -5.569 -5.698 1.00 0.00 N ATOM 433 CA LYS A 28 -4.566 -6.365 -4.770 1.00 0.00 C ATOM 434 C LYS A 28 -6.042 -6.149 -5.112 1.00 0.00 C ATOM 435 O LYS A 28 -6.922 -6.712 -4.493 1.00 0.00 O ATOM 436 CB LYS A 28 -4.260 -5.815 -3.375 1.00 0.00 C ATOM 437 CG LYS A 28 -3.126 -6.615 -2.735 1.00 0.00 C ATOM 438 CD LYS A 28 -1.806 -6.314 -3.445 1.00 0.00 C ATOM 439 CE LYS A 28 -0.915 -7.556 -3.399 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.069 -7.482 -4.626 1.00 0.00 N ATOM 0 H LYS A 28 -3.427 -4.656 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.367 -7.435 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.981 -4.763 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.152 -5.869 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.045 -6.364 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.345 -7.681 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.993 -6.024 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.304 -5.474 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.301 -7.566 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.512 -8.468 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.904 -7.767 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.453 -8.120 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.067 -6.507 -4.988 1.00 0.00 H new ATOM 454 N ARG A 29 -6.316 -5.331 -6.092 1.00 0.00 N ATOM 455 CA ARG A 29 -7.732 -5.071 -6.471 1.00 0.00 C ATOM 456 C ARG A 29 -8.516 -4.574 -5.255 1.00 0.00 C ATOM 457 O ARG A 29 -9.705 -4.799 -5.140 1.00 0.00 O ATOM 458 CB ARG A 29 -8.271 -6.419 -6.949 1.00 0.00 C ATOM 459 CG ARG A 29 -8.168 -6.498 -8.474 1.00 0.00 C ATOM 460 CD ARG A 29 -9.333 -5.731 -9.105 1.00 0.00 C ATOM 461 NE ARG A 29 -8.787 -5.180 -10.376 1.00 0.00 N ATOM 462 CZ ARG A 29 -8.769 -5.918 -11.453 1.00 0.00 C ATOM 463 NH1 ARG A 29 -7.635 -6.352 -11.928 1.00 0.00 N ATOM 464 NH2 ARG A 29 -9.887 -6.222 -12.055 1.00 0.00 N ATOM 0 H ARG A 29 -5.620 -4.832 -6.646 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.822 -4.306 -7.242 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.705 -7.231 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.309 -6.539 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.219 -6.078 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.187 -7.539 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.183 -6.388 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.684 -4.935 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.427 -4.226 -10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.761 -6.115 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.622 -6.928 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.775 -5.883 -11.684 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.873 -6.798 -12.896 1.00 0.00 H new ATOM 478 N VAL A 30 -7.865 -3.895 -4.347 1.00 0.00 N ATOM 479 CA VAL A 30 -8.592 -3.386 -3.147 1.00 0.00 C ATOM 480 C VAL A 30 -9.677 -2.395 -3.580 1.00 0.00 C ATOM 481 O VAL A 30 -9.405 -1.457 -4.301 1.00 0.00 O ATOM 482 CB VAL A 30 -7.533 -2.680 -2.299 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.197 -2.065 -1.067 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.476 -3.687 -1.847 1.00 0.00 C ATOM 0 H VAL A 30 -6.870 -3.672 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.083 -4.186 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.060 -1.899 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.444 -1.561 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.951 -1.344 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.670 -2.851 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.724 -3.179 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.949 -4.470 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.000 -4.132 -2.721 1.00 0.00 H new ATOM 494 N PRO A 31 -10.878 -2.634 -3.126 1.00 0.00 N ATOM 495 CA PRO A 31 -12.010 -1.745 -3.480 1.00 0.00 C ATOM 496 C PRO A 31 -11.880 -0.408 -2.747 1.00 0.00 C ATOM 497 O PRO A 31 -11.135 -0.280 -1.796 1.00 0.00 O ATOM 498 CB PRO A 31 -13.236 -2.513 -2.995 1.00 0.00 C ATOM 499 CG PRO A 31 -12.724 -3.406 -1.912 1.00 0.00 C ATOM 500 CD PRO A 31 -11.293 -3.737 -2.254 1.00 0.00 C ATOM 0 HA PRO A 31 -12.056 -1.509 -4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.004 -1.836 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.687 -3.089 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.784 -2.911 -0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.324 -4.313 -1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.672 -3.796 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.215 -4.699 -2.761 1.00 0.00 H new ATOM 508 N SER A 32 -12.598 0.588 -3.183 1.00 0.00 N ATOM 509 CA SER A 32 -12.513 1.916 -2.513 1.00 0.00 C ATOM 510 C SER A 32 -13.196 1.862 -1.144 1.00 0.00 C ATOM 511 O SER A 32 -13.113 2.788 -0.362 1.00 0.00 O ATOM 512 CB SER A 32 -13.252 2.876 -3.444 1.00 0.00 C ATOM 513 OG SER A 32 -14.577 2.403 -3.649 1.00 0.00 O ATOM 0 H SER A 32 -13.240 0.541 -3.974 1.00 0.00 H new ATOM 0 HA SER A 32 -11.483 2.227 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.273 3.876 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.729 2.952 -4.397 1.00 0.00 H new ATOM 0 HG SER A 32 -15.055 3.017 -4.244 1.00 0.00 H new ATOM 519 N ASN A 33 -13.874 0.786 -0.848 1.00 0.00 N ATOM 520 CA ASN A 33 -14.563 0.679 0.469 1.00 0.00 C ATOM 521 C ASN A 33 -13.894 -0.388 1.340 1.00 0.00 C ATOM 522 O ASN A 33 -14.483 -0.900 2.270 1.00 0.00 O ATOM 523 CB ASN A 33 -15.999 0.274 0.134 1.00 0.00 C ATOM 524 CG ASN A 33 -16.021 -1.175 -0.360 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.730 -1.442 -1.508 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.358 -2.127 0.467 1.00 0.00 N ATOM 0 H ASN A 33 -13.980 -0.022 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.521 1.613 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.632 0.378 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.405 0.936 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.377 -3.096 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.602 -1.902 1.431 1.00 0.00 H new ATOM 533 N ALA A 34 -12.667 -0.726 1.050 1.00 0.00 N ATOM 534 CA ALA A 34 -11.971 -1.760 1.869 1.00 0.00 C ATOM 535 C ALA A 34 -11.522 -1.165 3.204 1.00 0.00 C ATOM 536 O ALA A 34 -11.184 0.000 3.295 1.00 0.00 O ATOM 537 CB ALA A 34 -10.749 -2.179 1.048 1.00 0.00 C ATOM 0 H ALA A 34 -12.118 -0.333 0.285 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.624 -2.604 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.189 -2.940 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.076 -2.584 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.111 -1.312 0.877 1.00 0.00 H new ATOM 543 N SER A 35 -11.499 -1.959 4.234 1.00 0.00 N ATOM 544 CA SER A 35 -11.047 -1.448 5.557 1.00 0.00 C ATOM 545 C SER A 35 -9.530 -1.594 5.643 1.00 0.00 C ATOM 546 O SER A 35 -8.928 -2.287 4.847 1.00 0.00 O ATOM 547 CB SER A 35 -11.731 -2.343 6.586 1.00 0.00 C ATOM 548 OG SER A 35 -11.072 -3.603 6.621 1.00 0.00 O ATOM 0 H SER A 35 -11.774 -2.941 4.218 1.00 0.00 H new ATOM 0 HA SER A 35 -11.294 -0.399 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.700 -1.875 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.782 -2.476 6.329 1.00 0.00 H new ATOM 0 HG SER A 35 -11.507 -4.181 7.282 1.00 0.00 H new ATOM 554 N TRP A 36 -8.896 -0.964 6.589 1.00 0.00 N ATOM 555 CA TRP A 36 -7.420 -1.112 6.674 1.00 0.00 C ATOM 556 C TRP A 36 -7.070 -2.581 6.903 1.00 0.00 C ATOM 557 O TRP A 36 -6.052 -3.055 6.458 1.00 0.00 O ATOM 558 CB TRP A 36 -6.969 -0.266 7.860 1.00 0.00 C ATOM 559 CG TRP A 36 -5.515 -0.523 8.097 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.957 -0.834 9.289 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.428 -0.507 7.127 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.595 -1.012 9.111 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.222 -0.820 7.795 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.374 -0.254 5.745 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -2.003 -0.879 7.114 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.152 -0.312 5.057 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.970 -0.624 5.741 1.00 0.00 C ATOM 0 H TRP A 36 -9.325 -0.365 7.294 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.927 -0.788 5.758 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.139 0.792 7.658 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.548 -0.518 8.748 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.486 -0.928 10.226 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.947 -1.255 9.860 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.280 -0.013 5.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.094 -1.120 7.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.123 -0.115 3.995 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.033 -0.667 5.206 1.00 0.00 H new ATOM 578 N GLU A 37 -7.906 -3.307 7.588 1.00 0.00 N ATOM 579 CA GLU A 37 -7.610 -4.747 7.832 1.00 0.00 C ATOM 580 C GLU A 37 -7.630 -5.519 6.507 1.00 0.00 C ATOM 581 O GLU A 37 -6.722 -6.269 6.199 1.00 0.00 O ATOM 582 CB GLU A 37 -8.731 -5.232 8.751 1.00 0.00 C ATOM 583 CG GLU A 37 -8.479 -4.733 10.176 1.00 0.00 C ATOM 584 CD GLU A 37 -9.617 -5.196 11.087 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.172 -6.249 10.822 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.916 -4.487 12.035 1.00 0.00 O ATOM 0 H GLU A 37 -8.780 -2.968 7.989 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.626 -4.899 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.693 -4.867 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.779 -6.321 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.526 -5.115 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.411 -3.645 10.185 1.00 0.00 H new ATOM 593 N GLN A 38 -8.658 -5.338 5.721 1.00 0.00 N ATOM 594 CA GLN A 38 -8.741 -6.061 4.418 1.00 0.00 C ATOM 595 C GLN A 38 -7.682 -5.536 3.445 1.00 0.00 C ATOM 596 O GLN A 38 -6.985 -6.296 2.794 1.00 0.00 O ATOM 597 CB GLN A 38 -10.143 -5.755 3.892 1.00 0.00 C ATOM 598 CG GLN A 38 -11.184 -6.426 4.791 1.00 0.00 C ATOM 599 CD GLN A 38 -12.465 -6.671 3.993 1.00 0.00 C ATOM 600 OE1 GLN A 38 -13.521 -6.184 4.351 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.418 -7.409 2.918 1.00 0.00 N ATOM 0 H GLN A 38 -9.444 -4.721 5.925 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.564 -7.131 4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.307 -4.678 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.245 -6.115 2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.795 -7.370 5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.396 -5.795 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.533 -7.817 2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.267 -7.578 2.378 1.00 0.00 H new ATOM 610 N ALA A 39 -7.555 -4.244 3.341 1.00 0.00 N ATOM 611 CA ALA A 39 -6.548 -3.667 2.407 1.00 0.00 C ATOM 612 C ALA A 39 -5.128 -3.938 2.910 1.00 0.00 C ATOM 613 O ALA A 39 -4.257 -4.312 2.152 1.00 0.00 O ATOM 614 CB ALA A 39 -6.834 -2.164 2.396 1.00 0.00 C ATOM 0 H ALA A 39 -8.105 -3.561 3.862 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.616 -4.106 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.132 -1.665 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.852 -1.990 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.722 -1.765 3.404 1.00 0.00 H new ATOM 620 N MET A 40 -4.884 -3.745 4.179 1.00 0.00 N ATOM 621 CA MET A 40 -3.514 -3.980 4.721 1.00 0.00 C ATOM 622 C MET A 40 -3.087 -5.433 4.526 1.00 0.00 C ATOM 623 O MET A 40 -2.005 -5.703 4.059 1.00 0.00 O ATOM 624 CB MET A 40 -3.600 -3.661 6.212 1.00 0.00 C ATOM 625 CG MET A 40 -2.260 -3.970 6.880 1.00 0.00 C ATOM 626 SD MET A 40 -2.379 -5.541 7.775 1.00 0.00 S ATOM 627 CE MET A 40 -2.677 -4.847 9.419 1.00 0.00 C ATOM 0 H MET A 40 -5.574 -3.435 4.863 1.00 0.00 H new ATOM 0 HA MET A 40 -2.779 -3.361 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.856 -2.611 6.356 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.393 -4.249 6.675 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.472 -4.026 6.129 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.990 -3.168 7.567 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.783 -5.656 10.142 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.837 -4.214 9.704 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.591 -4.253 9.403 1.00 0.00 H new ATOM 637 N LYS A 41 -3.914 -6.376 4.888 1.00 0.00 N ATOM 638 CA LYS A 41 -3.513 -7.803 4.719 1.00 0.00 C ATOM 639 C LYS A 41 -3.347 -8.138 3.231 1.00 0.00 C ATOM 640 O LYS A 41 -2.369 -8.749 2.826 1.00 0.00 O ATOM 641 CB LYS A 41 -4.647 -8.621 5.347 1.00 0.00 C ATOM 642 CG LYS A 41 -5.867 -8.617 4.424 1.00 0.00 C ATOM 643 CD LYS A 41 -7.021 -9.362 5.099 1.00 0.00 C ATOM 644 CE LYS A 41 -6.660 -10.842 5.241 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.352 -11.516 4.108 1.00 0.00 N ATOM 0 H LYS A 41 -4.839 -6.224 5.289 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.556 -8.020 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.315 -9.645 5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.914 -8.203 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.163 -7.592 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.619 -9.092 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.222 -8.930 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.932 -9.254 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.582 -10.992 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.993 -11.240 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.152 -12.536 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.377 -11.361 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.010 -11.122 3.208 1.00 0.00 H new ATOM 659 N MET A 42 -4.285 -7.737 2.412 1.00 0.00 N ATOM 660 CA MET A 42 -4.172 -8.033 0.956 1.00 0.00 C ATOM 661 C MET A 42 -2.885 -7.430 0.391 1.00 0.00 C ATOM 662 O MET A 42 -2.316 -7.934 -0.558 1.00 0.00 O ATOM 663 CB MET A 42 -5.391 -7.365 0.318 1.00 0.00 C ATOM 664 CG MET A 42 -6.659 -8.127 0.704 1.00 0.00 C ATOM 665 SD MET A 42 -7.281 -9.027 -0.738 1.00 0.00 S ATOM 666 CE MET A 42 -7.644 -7.583 -1.765 1.00 0.00 C ATOM 0 H MET A 42 -5.120 -7.220 2.688 1.00 0.00 H new ATOM 0 HA MET A 42 -4.139 -9.104 0.758 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.464 -6.329 0.648 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.282 -7.348 -0.766 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.446 -8.822 1.516 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.417 -7.433 1.068 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.443 -7.826 -2.466 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.958 -6.755 -1.130 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.750 -7.297 -2.319 1.00 0.00 H new ATOM 676 N ILE A 43 -2.429 -6.348 0.957 1.00 0.00 N ATOM 677 CA ILE A 43 -1.189 -5.707 0.439 1.00 0.00 C ATOM 678 C ILE A 43 0.038 -6.181 1.230 1.00 0.00 C ATOM 679 O ILE A 43 1.143 -6.192 0.727 1.00 0.00 O ATOM 680 CB ILE A 43 -1.416 -4.200 0.615 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.329 -3.824 2.094 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.795 -3.810 0.082 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.108 -2.314 2.209 1.00 0.00 C ATOM 0 H ILE A 43 -2.860 -5.881 1.754 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.996 -5.966 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.645 -3.668 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.245 -4.111 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.511 -4.362 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.946 -2.738 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.860 -4.060 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.564 -4.354 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.044 -2.035 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.181 -2.043 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.941 -1.788 1.744 1.00 0.00 H new ATOM 695 N ILE A 44 -0.142 -6.589 2.460 1.00 0.00 N ATOM 696 CA ILE A 44 1.026 -7.065 3.255 1.00 0.00 C ATOM 697 C ILE A 44 1.561 -8.353 2.631 1.00 0.00 C ATOM 698 O ILE A 44 2.751 -8.584 2.579 1.00 0.00 O ATOM 699 CB ILE A 44 0.491 -7.303 4.679 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.603 -7.018 5.691 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.022 -8.750 4.848 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.986 -6.620 7.033 1.00 0.00 C ATOM 0 H ILE A 44 -1.040 -6.613 2.944 1.00 0.00 H new ATOM 0 HA ILE A 44 1.849 -6.350 3.273 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.355 -6.637 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.230 -7.901 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.247 -6.219 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.352 -8.895 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.774 -8.960 4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.858 -9.427 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.779 -6.417 7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.377 -5.725 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.361 -7.433 7.402 1.00 0.00 H new ATOM 714 N ASN A 45 0.683 -9.184 2.137 1.00 0.00 N ATOM 715 CA ASN A 45 1.148 -10.445 1.494 1.00 0.00 C ATOM 716 C ASN A 45 2.186 -10.109 0.415 1.00 0.00 C ATOM 717 O ASN A 45 2.962 -10.945 -0.002 1.00 0.00 O ATOM 718 CB ASN A 45 -0.107 -11.054 0.864 1.00 0.00 C ATOM 719 CG ASN A 45 0.107 -12.552 0.636 1.00 0.00 C ATOM 720 OD1 ASN A 45 1.078 -12.954 0.027 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.768 -13.402 1.101 1.00 0.00 N ATOM 0 H ASN A 45 -0.327 -9.046 2.151 1.00 0.00 H new ATOM 0 HA ASN A 45 1.617 -11.133 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.967 -10.894 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.327 -10.560 -0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.636 -14.402 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.584 -13.066 1.613 1.00 0.00 H new ATOM 728 N ASP A 46 2.193 -8.881 -0.032 1.00 0.00 N ATOM 729 CA ASP A 46 3.162 -8.454 -1.085 1.00 0.00 C ATOM 730 C ASP A 46 4.301 -7.636 -0.461 1.00 0.00 C ATOM 731 O ASP A 46 4.094 -6.918 0.500 1.00 0.00 O ATOM 732 CB ASP A 46 2.332 -7.592 -2.030 1.00 0.00 C ATOM 733 CG ASP A 46 3.129 -7.287 -3.297 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.109 -6.572 -3.196 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.746 -7.778 -4.346 1.00 0.00 O ATOM 0 H ASP A 46 1.562 -8.148 0.291 1.00 0.00 H new ATOM 0 HA ASP A 46 3.630 -9.296 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.407 -8.108 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.051 -6.662 -1.535 1.00 0.00 H new ATOM 740 N PRO A 47 5.474 -7.778 -1.023 1.00 0.00 N ATOM 741 CA PRO A 47 6.666 -7.052 -0.505 1.00 0.00 C ATOM 742 C PRO A 47 6.480 -5.532 -0.581 1.00 0.00 C ATOM 743 O PRO A 47 7.159 -4.790 0.100 1.00 0.00 O ATOM 744 CB PRO A 47 7.801 -7.536 -1.412 1.00 0.00 C ATOM 745 CG PRO A 47 7.115 -8.005 -2.652 1.00 0.00 C ATOM 746 CD PRO A 47 5.810 -8.598 -2.193 1.00 0.00 C ATOM 0 HA PRO A 47 6.859 -7.252 0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.506 -6.733 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.368 -8.341 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.949 -7.179 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.718 -8.745 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.043 -8.535 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.914 -9.651 -1.932 1.00 0.00 H new ATOM 754 N ARG A 48 5.561 -5.052 -1.377 1.00 0.00 N ATOM 755 CA ARG A 48 5.353 -3.574 -1.439 1.00 0.00 C ATOM 756 C ARG A 48 4.997 -3.029 -0.062 1.00 0.00 C ATOM 757 O ARG A 48 5.223 -1.873 0.231 1.00 0.00 O ATOM 758 CB ARG A 48 4.202 -3.332 -2.407 1.00 0.00 C ATOM 759 CG ARG A 48 4.751 -3.072 -3.809 1.00 0.00 C ATOM 760 CD ARG A 48 4.986 -4.396 -4.525 1.00 0.00 C ATOM 761 NE ARG A 48 3.634 -4.847 -4.952 1.00 0.00 N ATOM 762 CZ ARG A 48 3.448 -5.301 -6.162 1.00 0.00 C ATOM 763 NH1 ARG A 48 3.932 -4.651 -7.185 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.773 -6.402 -6.348 1.00 0.00 N ATOM 0 H ARG A 48 4.954 -5.609 -1.978 1.00 0.00 H new ATOM 0 HA ARG A 48 6.261 -3.069 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.538 -4.197 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.609 -2.480 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.049 -2.461 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.684 -2.512 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.649 -4.270 -5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.455 -5.125 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 48 2.852 -4.801 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.456 -3.788 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.786 -5.006 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.391 -6.907 -5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.627 -6.757 -7.293 1.00 0.00 H new ATOM 778 N TYR A 49 4.436 -3.839 0.789 1.00 0.00 N ATOM 779 CA TYR A 49 4.075 -3.326 2.135 1.00 0.00 C ATOM 780 C TYR A 49 5.335 -2.825 2.843 1.00 0.00 C ATOM 781 O TYR A 49 5.307 -1.869 3.599 1.00 0.00 O ATOM 782 CB TYR A 49 3.467 -4.513 2.879 1.00 0.00 C ATOM 783 CG TYR A 49 2.638 -4.001 4.030 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.378 -3.453 3.784 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.124 -4.083 5.340 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.598 -2.986 4.844 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.346 -3.612 6.403 1.00 0.00 C ATOM 788 CZ TYR A 49 1.082 -3.064 6.156 1.00 0.00 C ATOM 789 OH TYR A 49 0.314 -2.606 7.205 1.00 0.00 O ATOM 0 H TYR A 49 4.215 -4.819 0.614 1.00 0.00 H new ATOM 0 HA TYR A 49 3.374 -2.492 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.848 -5.104 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.255 -5.170 3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.006 -3.390 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.098 -4.509 5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.378 -2.565 4.652 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.721 -3.671 7.414 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.386 -2.012 6.863 1.00 0.00 H new ATOM 799 N SER A 50 6.450 -3.446 2.578 1.00 0.00 N ATOM 800 CA SER A 50 7.714 -2.996 3.221 1.00 0.00 C ATOM 801 C SER A 50 8.122 -1.650 2.628 1.00 0.00 C ATOM 802 O SER A 50 9.035 -1.001 3.098 1.00 0.00 O ATOM 803 CB SER A 50 8.743 -4.073 2.878 1.00 0.00 C ATOM 804 OG SER A 50 9.977 -3.760 3.513 1.00 0.00 O ATOM 0 H SER A 50 6.540 -4.242 1.947 1.00 0.00 H new ATOM 0 HA SER A 50 7.620 -2.867 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.388 -5.050 3.207 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.880 -4.131 1.798 1.00 0.00 H new ATOM 0 HG SER A 50 10.079 -2.787 3.568 1.00 0.00 H new ATOM 810 N ALA A 51 7.427 -1.213 1.613 1.00 0.00 N ATOM 811 CA ALA A 51 7.747 0.104 1.008 1.00 0.00 C ATOM 812 C ALA A 51 7.531 1.190 2.060 1.00 0.00 C ATOM 813 O ALA A 51 8.108 2.257 1.997 1.00 0.00 O ATOM 814 CB ALA A 51 6.755 0.262 -0.144 1.00 0.00 C ATOM 0 H ALA A 51 6.652 -1.714 1.179 1.00 0.00 H new ATOM 0 HA ALA A 51 8.776 0.179 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.927 1.215 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.892 -0.552 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.737 0.235 0.246 1.00 0.00 H new ATOM 820 N LEU A 52 6.705 0.919 3.039 1.00 0.00 N ATOM 821 CA LEU A 52 6.456 1.934 4.104 1.00 0.00 C ATOM 822 C LEU A 52 6.817 1.351 5.474 1.00 0.00 C ATOM 823 O LEU A 52 6.312 0.322 5.874 1.00 0.00 O ATOM 824 CB LEU A 52 4.960 2.235 4.026 1.00 0.00 C ATOM 825 CG LEU A 52 4.651 3.017 2.746 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.243 3.605 2.840 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.662 4.154 2.575 1.00 0.00 C ATOM 0 H LEU A 52 6.195 0.042 3.146 1.00 0.00 H new ATOM 0 HA LEU A 52 7.056 2.834 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.392 1.305 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.650 2.811 4.898 1.00 0.00 H new ATOM 0 HG LEU A 52 4.715 2.345 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.020 4.162 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.519 2.799 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.185 4.274 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.437 4.707 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.602 4.826 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.668 3.740 2.509 1.00 0.00 H new ATOM 839 N ALA A 53 7.696 1.998 6.189 1.00 0.00 N ATOM 840 CA ALA A 53 8.100 1.478 7.528 1.00 0.00 C ATOM 841 C ALA A 53 7.031 1.787 8.581 1.00 0.00 C ATOM 842 O ALA A 53 6.775 0.996 9.467 1.00 0.00 O ATOM 843 CB ALA A 53 9.399 2.214 7.858 1.00 0.00 C ATOM 0 H ALA A 53 8.153 2.865 5.905 1.00 0.00 H new ATOM 0 HA ALA A 53 8.225 0.395 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.765 1.888 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.147 1.992 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.213 3.288 7.881 1.00 0.00 H new ATOM 849 N LYS A 54 6.417 2.936 8.506 1.00 0.00 N ATOM 850 CA LYS A 54 5.382 3.291 9.521 1.00 0.00 C ATOM 851 C LYS A 54 3.975 2.953 9.018 1.00 0.00 C ATOM 852 O LYS A 54 3.646 3.135 7.861 1.00 0.00 O ATOM 853 CB LYS A 54 5.528 4.799 9.722 1.00 0.00 C ATOM 854 CG LYS A 54 5.841 5.088 11.192 1.00 0.00 C ATOM 855 CD LYS A 54 7.357 5.151 11.387 1.00 0.00 C ATOM 856 CE LYS A 54 7.841 3.850 12.033 1.00 0.00 C ATOM 857 NZ LYS A 54 8.635 4.280 13.219 1.00 0.00 N ATOM 0 H LYS A 54 6.585 3.642 7.790 1.00 0.00 H new ATOM 0 HA LYS A 54 5.519 2.733 10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.324 5.186 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.610 5.307 9.428 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.385 6.031 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.414 4.311 11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.852 5.300 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.619 6.002 12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.002 3.220 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.449 3.268 11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.001 3.442 13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.431 4.873 12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.028 4.826 13.864 1.00 0.00 H new ATOM 871 N LEU A 55 3.136 2.467 9.888 1.00 0.00 N ATOM 872 CA LEU A 55 1.752 2.131 9.468 1.00 0.00 C ATOM 873 C LEU A 55 0.971 3.413 9.181 1.00 0.00 C ATOM 874 O LEU A 55 0.091 3.440 8.344 1.00 0.00 O ATOM 875 CB LEU A 55 1.139 1.375 10.642 1.00 0.00 C ATOM 876 CG LEU A 55 0.194 0.304 10.099 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.766 0.938 9.091 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.013 -0.786 9.399 1.00 0.00 C ATOM 0 H LEU A 55 3.350 2.289 10.869 1.00 0.00 H new ATOM 0 HA LEU A 55 1.732 1.532 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.922 0.916 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.597 2.062 11.292 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.374 -0.133 10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.441 0.176 8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.346 1.719 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.196 1.371 8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.342 -1.552 9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.577 -0.346 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.704 -1.236 10.112 1.00 0.00 H new ATOM 890 N SER A 56 1.287 4.481 9.864 1.00 0.00 N ATOM 891 CA SER A 56 0.557 5.755 9.617 1.00 0.00 C ATOM 892 C SER A 56 0.696 6.136 8.144 1.00 0.00 C ATOM 893 O SER A 56 -0.266 6.493 7.490 1.00 0.00 O ATOM 894 CB SER A 56 1.245 6.789 10.509 1.00 0.00 C ATOM 895 OG SER A 56 2.626 6.469 10.617 1.00 0.00 O ATOM 0 H SER A 56 2.015 4.525 10.578 1.00 0.00 H new ATOM 0 HA SER A 56 -0.508 5.683 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.123 7.788 10.089 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.784 6.799 11.496 1.00 0.00 H new ATOM 0 HG SER A 56 3.071 7.130 11.187 1.00 0.00 H new ATOM 901 N GLU A 57 1.878 6.030 7.602 1.00 0.00 N ATOM 902 CA GLU A 57 2.055 6.353 6.162 1.00 0.00 C ATOM 903 C GLU A 57 1.410 5.243 5.334 1.00 0.00 C ATOM 904 O GLU A 57 0.823 5.486 4.298 1.00 0.00 O ATOM 905 CB GLU A 57 3.566 6.422 5.927 1.00 0.00 C ATOM 906 CG GLU A 57 4.226 5.120 6.378 1.00 0.00 C ATOM 907 CD GLU A 57 5.646 5.044 5.813 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.142 6.068 5.372 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.213 3.964 5.831 1.00 0.00 O ATOM 0 H GLU A 57 2.723 5.735 8.092 1.00 0.00 H new ATOM 0 HA GLU A 57 1.588 7.295 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.770 6.596 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.990 7.263 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.254 5.072 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.641 4.266 6.036 1.00 0.00 H new ATOM 916 N LYS A 58 1.494 4.021 5.800 1.00 0.00 N ATOM 917 CA LYS A 58 0.860 2.899 5.051 1.00 0.00 C ATOM 918 C LYS A 58 -0.639 3.174 4.912 1.00 0.00 C ATOM 919 O LYS A 58 -1.226 2.990 3.863 1.00 0.00 O ATOM 920 CB LYS A 58 1.092 1.659 5.915 1.00 0.00 C ATOM 921 CG LYS A 58 2.481 1.087 5.633 1.00 0.00 C ATOM 922 CD LYS A 58 2.549 -0.366 6.111 1.00 0.00 C ATOM 923 CE LYS A 58 3.890 -0.610 6.811 1.00 0.00 C ATOM 924 NZ LYS A 58 4.636 -1.544 5.918 1.00 0.00 N ATOM 0 H LYS A 58 1.972 3.756 6.661 1.00 0.00 H new ATOM 0 HA LYS A 58 1.273 2.775 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.002 1.917 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.330 0.909 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.696 1.139 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.240 1.683 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.726 -0.574 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.439 -1.044 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.437 0.323 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.744 -1.044 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.652 -1.494 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.297 -2.515 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.480 -1.274 4.926 1.00 0.00 H new ATOM 938 N LYS A 59 -1.256 3.628 5.970 1.00 0.00 N ATOM 939 CA LYS A 59 -2.714 3.932 5.917 1.00 0.00 C ATOM 940 C LYS A 59 -2.956 5.146 5.020 1.00 0.00 C ATOM 941 O LYS A 59 -3.922 5.207 4.286 1.00 0.00 O ATOM 942 CB LYS A 59 -3.105 4.252 7.360 1.00 0.00 C ATOM 943 CG LYS A 59 -3.386 2.953 8.118 1.00 0.00 C ATOM 944 CD LYS A 59 -4.081 3.278 9.441 1.00 0.00 C ATOM 945 CE LYS A 59 -3.270 2.698 10.602 1.00 0.00 C ATOM 946 NZ LYS A 59 -4.286 2.209 11.576 1.00 0.00 N ATOM 0 H LYS A 59 -0.811 3.802 6.871 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.297 3.106 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.303 4.804 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.988 4.891 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.014 2.296 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.454 2.419 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.180 4.357 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.089 2.864 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.624 1.887 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.626 3.454 11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.806 1.797 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.882 3.003 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.880 1.485 11.124 1.00 0.00 H new ATOM 960 N GLN A 60 -2.080 6.114 5.069 1.00 0.00 N ATOM 961 CA GLN A 60 -2.260 7.318 4.210 1.00 0.00 C ATOM 962 C GLN A 60 -2.258 6.895 2.739 1.00 0.00 C ATOM 963 O GLN A 60 -3.053 7.357 1.945 1.00 0.00 O ATOM 964 CB GLN A 60 -1.066 8.230 4.559 1.00 0.00 C ATOM 965 CG GLN A 60 -0.017 8.229 3.436 1.00 0.00 C ATOM 966 CD GLN A 60 1.203 9.043 3.872 1.00 0.00 C ATOM 967 OE1 GLN A 60 2.357 8.446 4.003 1.00 0.00 O flip ATOM 968 NE2 GLN A 60 1.106 10.233 4.096 1.00 0.00 N flip ATOM 0 H GLN A 60 -1.252 6.123 5.664 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.204 7.837 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.420 9.247 4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.607 7.893 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.280 7.206 3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.443 8.652 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.205 10.699 3.994 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.926 10.766 4.386 1.00 0.00 H new ATOM 977 N ALA A 61 -1.372 6.008 2.377 1.00 0.00 N ATOM 978 CA ALA A 61 -1.320 5.541 0.964 1.00 0.00 C ATOM 979 C ALA A 61 -2.583 4.741 0.637 1.00 0.00 C ATOM 980 O ALA A 61 -3.182 4.906 -0.408 1.00 0.00 O ATOM 981 CB ALA A 61 -0.084 4.644 0.886 1.00 0.00 C ATOM 0 H ALA A 61 -0.682 5.587 2.999 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.266 6.366 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.023 4.259 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.802 5.221 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.195 3.811 1.580 1.00 0.00 H new ATOM 987 N PHE A 62 -2.996 3.880 1.528 1.00 0.00 N ATOM 988 CA PHE A 62 -4.223 3.075 1.271 1.00 0.00 C ATOM 989 C PHE A 62 -5.430 4.004 1.103 1.00 0.00 C ATOM 990 O PHE A 62 -6.227 3.847 0.198 1.00 0.00 O ATOM 991 CB PHE A 62 -4.379 2.199 2.513 1.00 0.00 C ATOM 992 CG PHE A 62 -5.745 1.561 2.515 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.337 1.169 1.310 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.416 1.359 3.725 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.601 0.577 1.312 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.683 0.764 3.731 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.276 0.373 2.522 1.00 0.00 C ATOM 0 H PHE A 62 -2.537 3.700 2.421 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.154 2.479 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.607 1.429 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.246 2.800 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.816 1.325 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.957 1.662 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.058 0.276 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.203 0.606 4.665 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.254 -0.086 2.524 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.562 4.982 1.956 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.706 5.926 1.822 1.00 0.00 C ATOM 1009 C ASN A 63 -6.600 6.649 0.481 1.00 0.00 C ATOM 1010 O ASN A 63 -7.573 6.822 -0.225 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.560 6.908 2.984 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.864 6.946 3.783 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.924 7.153 3.226 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -7.832 6.751 5.073 1.00 0.00 N ATOM 0 H ASN A 63 -4.931 5.168 2.736 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.674 5.426 1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.734 6.606 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.323 7.903 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.697 6.772 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.942 6.577 5.541 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.414 7.049 0.116 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.229 7.735 -1.190 1.00 0.00 C ATOM 1023 C ALA A 64 -5.547 6.750 -2.314 1.00 0.00 C ATOM 1024 O ALA A 64 -6.075 7.112 -3.347 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.753 8.137 -1.222 1.00 0.00 C ATOM 0 H ALA A 64 -4.564 6.930 0.668 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.878 8.601 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.536 8.651 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.539 8.802 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.131 7.245 -1.145 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.234 5.497 -2.108 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.519 4.470 -3.146 1.00 0.00 C ATOM 1033 C TYR A 65 -7.028 4.392 -3.404 1.00 0.00 C ATOM 1034 O TYR A 65 -7.470 4.314 -4.533 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.010 3.158 -2.543 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.631 1.991 -3.272 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.025 1.497 -4.431 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.814 1.406 -2.794 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.594 0.421 -5.116 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.384 0.327 -3.482 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.773 -0.165 -4.643 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.332 -1.227 -5.321 1.00 0.00 O ATOM 0 H TYR A 65 -4.791 5.142 -1.260 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.043 4.695 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.924 3.109 -2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.260 3.112 -1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.115 1.948 -4.797 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.283 1.786 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.124 0.041 -6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.294 -0.126 -3.118 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.307 -1.128 -5.338 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.819 4.411 -2.367 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.294 4.334 -2.561 1.00 0.00 C ATOM 1054 C LYS A 66 -9.822 5.640 -3.163 1.00 0.00 C ATOM 1055 O LYS A 66 -10.699 5.635 -4.004 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.871 4.128 -1.162 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.223 2.911 -0.505 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.127 2.412 0.624 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.232 3.486 1.709 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.470 2.733 2.972 1.00 0.00 N ATOM 0 H LYS A 66 -7.509 4.476 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.573 3.531 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.698 5.016 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.950 3.988 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.071 2.122 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.241 3.174 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.117 2.177 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.724 1.492 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.319 4.078 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.048 4.178 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.621 3.403 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.312 2.132 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.644 2.137 3.182 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.302 6.757 -2.733 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.781 8.063 -3.273 1.00 0.00 C ATOM 1076 C VAL A 67 -9.507 8.154 -4.777 1.00 0.00 C ATOM 1077 O VAL A 67 -10.191 8.853 -5.499 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.976 9.119 -2.517 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.350 10.510 -3.029 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.292 9.026 -1.023 1.00 0.00 C ATOM 0 H VAL A 67 -8.565 6.823 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.855 8.193 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.912 8.947 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.776 11.263 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.127 10.578 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.414 10.682 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.718 9.779 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.357 9.198 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.026 8.035 -0.656 1.00 0.00 H new ATOM 1090 N GLN A 68 -8.514 7.459 -5.255 1.00 0.00 N ATOM 1091 CA GLN A 68 -8.202 7.513 -6.711 1.00 0.00 C ATOM 1092 C GLN A 68 -9.151 6.600 -7.490 1.00 0.00 C ATOM 1093 O GLN A 68 -9.383 6.789 -8.668 1.00 0.00 O ATOM 1094 CB GLN A 68 -6.760 7.019 -6.827 1.00 0.00 C ATOM 1095 CG GLN A 68 -5.808 8.217 -6.771 1.00 0.00 C ATOM 1096 CD GLN A 68 -4.396 7.765 -7.145 1.00 0.00 C ATOM 1097 OE1 GLN A 68 -4.208 7.060 -8.117 1.00 0.00 O ATOM 1098 NE2 GLN A 68 -3.386 8.144 -6.410 1.00 0.00 N ATOM 0 H GLN A 68 -7.905 6.856 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.321 8.515 -7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.536 6.324 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.624 6.475 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.145 8.995 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.810 8.650 -5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.543 8.736 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.440 7.848 -6.652 1.00 0.00 H new ATOM 1107 N THR A 69 -9.705 5.614 -6.841 1.00 0.00 N ATOM 1108 CA THR A 69 -10.642 4.692 -7.543 1.00 0.00 C ATOM 1109 C THR A 69 -12.078 5.210 -7.419 1.00 0.00 C ATOM 1110 O THR A 69 -12.984 4.716 -8.060 1.00 0.00 O ATOM 1111 CB THR A 69 -10.491 3.350 -6.825 1.00 0.00 C ATOM 1112 OG1 THR A 69 -10.473 3.564 -5.420 1.00 0.00 O ATOM 1113 CG2 THR A 69 -9.183 2.683 -7.258 1.00 0.00 C ATOM 0 H THR A 69 -9.550 5.406 -5.855 1.00 0.00 H new ATOM 0 HA THR A 69 -10.423 4.609 -8.608 1.00 0.00 H new ATOM 0 HB THR A 69 -11.330 2.703 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.967 4.383 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.075 1.727 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.198 2.518 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.343 3.328 -7.001 1.00 0.00 H new ATOM 1121 N GLU A 70 -12.290 6.203 -6.599 1.00 0.00 N ATOM 1122 CA GLU A 70 -13.666 6.754 -6.437 1.00 0.00 C ATOM 1123 C GLU A 70 -14.225 7.174 -7.796 1.00 0.00 C ATOM 1124 O GLU A 70 -15.069 6.511 -8.365 1.00 0.00 O ATOM 1125 CB GLU A 70 -13.500 7.968 -5.522 1.00 0.00 C ATOM 1126 CG GLU A 70 -14.104 7.659 -4.150 1.00 0.00 C ATOM 1127 CD GLU A 70 -15.192 8.685 -3.826 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -15.246 9.697 -4.504 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -15.953 8.441 -2.904 1.00 0.00 O ATOM 0 H GLU A 70 -11.571 6.656 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.360 6.025 -6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.444 8.217 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.991 8.837 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.525 6.654 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.327 7.684 -3.386 1.00 0.00 H new ATOM 1136 N LYS A 71 -13.758 8.272 -8.319 1.00 0.00 N ATOM 1137 CA LYS A 71 -14.256 8.741 -9.645 1.00 0.00 C ATOM 1138 C LYS A 71 -13.199 8.490 -10.723 1.00 0.00 C ATOM 1139 O LYS A 71 -12.776 7.354 -10.857 1.00 0.00 O ATOM 1140 CB LYS A 71 -14.499 10.242 -9.473 1.00 0.00 C ATOM 1141 CG LYS A 71 -15.210 10.498 -8.143 1.00 0.00 C ATOM 1142 CD LYS A 71 -16.491 11.297 -8.391 1.00 0.00 C ATOM 1143 CE LYS A 71 -16.197 12.790 -8.237 1.00 0.00 C ATOM 1144 NZ LYS A 71 -17.075 13.458 -9.238 1.00 0.00 N ATOM 1145 OXT LYS A 71 -12.829 9.440 -11.396 1.00 0.00 O ATOM 0 H LYS A 71 -13.052 8.867 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.160 8.216 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.551 10.779 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.103 10.620 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.448 9.551 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.553 11.046 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.873 11.092 -9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.265 10.993 -7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.417 13.134 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.146 13.007 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.931 14.487 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.838 13.116 -10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.070 13.238 -9.029 1.00 0.00 H new TER 1159 LYS A 71