USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 72 LYS NZ :NH3+ 152:sc= -0.139 (180deg=-0.684) USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.508 X(o=-0.65,f=-0.68) USER MOD Set 2.1: A 35 THR OG1 : rot -85:sc= 1.05 USER MOD Set 2.2: A 67 GLN : amide:sc= 0.903 K(o=2,f=-0.28) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -149:sc= -4.88! (180deg=-0.687) USER MOD Set 3.2: A 10 HIS : no HE2:sc= -5.43! C(o=-10!,f=-11!) USER MOD Set 4.1: A 7 GLN : amide:sc= -9.25! C(o=-15!,f=-4.5!) USER MOD Set 4.2: A 8 LYS NZ :NH3+ -117:sc= -6.09! (180deg=-0.831) USER MOD Single : A 1 PCA N :NH3+ 180:sc= -1.56 (180deg=-1.56) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 12 THR OG1 : rot 109:sc= -2.29! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= -0.965 (180deg=-1.34) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= -1.57 (180deg=-2.17!) USER MOD Single : A 23 MET CE :methyl -158:sc= -2.04 (180deg=-2.49!) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc=-0.00404 (180deg=-0.183) USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -2.1! (180deg=-2.66!) USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= -5.78! (180deg=-7.73!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -12.5! C(o=-13!,f=-6.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -1.02 (180deg=-1.65) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.753 K(o=-0.75,f=-0.082) USER MOD Single : A 54 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0836 USER MOD Single : A 59 SER OG : rot -120:sc= -0.888! USER MOD Single : A 77 TYR OH : rot -89:sc= 0.048 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.453 (180deg=-1.09) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 82 SER OG : rot -18:sc= 0.64 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 84 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.53) USER MOD Single : A 85 THR OG1 : rot -94:sc= 1.42 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.329! X(o=-0.33!,f=-0.15) USER MOD Single : A 93 GLN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.210 9.297 1.723 1.00 1.00 N HETATM 2 CA PCA A 1 -6.964 10.554 1.673 1.00 1.00 C HETATM 3 CB PCA A 1 -6.168 11.535 2.464 1.00 1.00 C HETATM 4 CG PCA A 1 -4.983 10.835 2.703 1.00 1.00 C HETATM 5 CD PCA A 1 -5.061 9.417 2.500 1.00 1.00 C HETATM 6 OE PCA A 1 -4.325 8.441 2.887 1.00 1.00 O HETATM 7 C PCA A 1 -7.143 11.022 0.238 1.00 1.00 C HETATM 8 O PCA A 1 -7.663 12.092 -0.010 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.100 8.997 2.713 1.00 1.00 H new HETATM 0 HA PCA A 1 -7.967 10.436 2.082 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.991 12.456 1.909 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.670 11.813 3.391 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.205 11.237 2.054 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.670 11.022 3.730 1.00 1.00 H new ATOM 15 N ASP A 2 -6.722 10.222 -0.699 1.00 1.00 N ATOM 16 CA ASP A 2 -6.854 10.587 -2.140 1.00 1.00 C ATOM 17 C ASP A 2 -6.317 9.428 -2.984 1.00 1.00 C ATOM 18 O ASP A 2 -5.133 9.153 -2.989 1.00 1.00 O ATOM 19 CB ASP A 2 -6.045 11.856 -2.438 1.00 1.00 C ATOM 20 CG ASP A 2 -6.532 12.477 -3.749 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.392 11.883 -4.379 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.038 13.535 -4.100 1.00 1.00 O ATOM 0 H ASP A 2 -6.285 9.316 -0.527 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.901 10.776 -2.378 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -6.155 12.570 -1.622 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -4.984 11.615 -2.509 1.00 1.00 H new ATOM 27 N TRP A 3 -7.178 8.735 -3.680 1.00 1.00 N ATOM 28 CA TRP A 3 -6.722 7.579 -4.507 1.00 1.00 C ATOM 29 C TRP A 3 -5.409 7.930 -5.216 1.00 1.00 C ATOM 30 O TRP A 3 -4.599 7.070 -5.499 1.00 1.00 O ATOM 31 CB TRP A 3 -7.809 7.235 -5.537 1.00 1.00 C ATOM 32 CG TRP A 3 -7.222 6.488 -6.695 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.398 6.823 -7.994 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.384 5.292 -6.691 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.719 5.916 -8.787 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.078 4.954 -8.032 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.862 4.476 -5.669 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.286 3.850 -8.346 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.064 3.365 -5.983 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.777 3.052 -7.318 1.00 1.00 C ATOM 0 H TRP A 3 -8.181 8.920 -3.712 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.549 6.715 -3.865 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.586 6.633 -5.066 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.284 8.150 -5.891 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.975 7.662 -8.353 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.695 5.953 -9.806 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.077 4.707 -4.636 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.067 3.613 -9.377 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.669 2.747 -5.190 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.163 2.195 -7.552 1.00 1.00 H new ATOM 51 N GLU A 4 -5.190 9.181 -5.501 1.00 1.00 N ATOM 52 CA GLU A 4 -3.927 9.573 -6.189 1.00 1.00 C ATOM 53 C GLU A 4 -2.731 9.238 -5.295 1.00 1.00 C ATOM 54 O GLU A 4 -2.068 8.240 -5.484 1.00 1.00 O ATOM 55 CB GLU A 4 -3.945 11.075 -6.479 1.00 1.00 C ATOM 56 CG GLU A 4 -5.092 11.397 -7.439 1.00 1.00 C ATOM 57 CD GLU A 4 -5.082 12.891 -7.764 1.00 1.00 C ATOM 58 OE1 GLU A 4 -4.398 13.624 -7.069 1.00 1.00 O ATOM 59 OE2 GLU A 4 -5.758 13.277 -8.704 1.00 1.00 O ATOM 0 H GLU A 4 -5.827 9.949 -5.289 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.842 9.025 -7.127 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.066 11.634 -5.551 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.995 11.383 -6.915 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.988 10.814 -8.354 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -6.045 11.118 -6.990 1.00 1.00 H new ATOM 66 N THR A 5 -2.445 10.058 -4.323 1.00 1.00 N ATOM 67 CA THR A 5 -1.284 9.762 -3.435 1.00 1.00 C ATOM 68 C THR A 5 -1.390 8.322 -2.939 1.00 1.00 C ATOM 69 O THR A 5 -0.438 7.569 -2.981 1.00 1.00 O ATOM 70 CB THR A 5 -1.283 10.723 -2.246 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.051 10.606 -1.547 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.441 10.391 -1.302 1.00 1.00 C ATOM 0 H THR A 5 -2.958 10.912 -4.105 1.00 1.00 H new ATOM 0 HA THR A 5 -0.355 9.889 -3.991 1.00 1.00 H new ATOM 0 HB THR A 5 -1.403 11.743 -2.610 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.047 11.222 -0.785 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.432 11.081 -0.458 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.386 10.485 -1.838 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.331 9.370 -0.937 1.00 1.00 H new ATOM 80 N PHE A 6 -2.546 7.926 -2.483 1.00 1.00 N ATOM 81 CA PHE A 6 -2.710 6.528 -2.004 1.00 1.00 C ATOM 82 C PHE A 6 -2.192 5.584 -3.087 1.00 1.00 C ATOM 83 O PHE A 6 -1.788 4.471 -2.822 1.00 1.00 O ATOM 84 CB PHE A 6 -4.192 6.253 -1.743 1.00 1.00 C ATOM 85 CG PHE A 6 -4.342 5.023 -0.882 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.204 5.119 0.507 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.628 3.787 -1.473 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.351 3.980 1.304 1.00 1.00 C ATOM 89 CE2 PHE A 6 -4.777 2.648 -0.676 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.638 2.743 0.713 1.00 1.00 C ATOM 0 H PHE A 6 -3.381 8.509 -2.422 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.152 6.375 -1.080 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.649 7.111 -1.249 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.717 6.112 -2.688 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.984 6.073 0.963 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.734 3.713 -2.545 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.243 4.054 2.376 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.999 1.695 -1.133 1.00 1.00 H new ATOM 0 HZ PHE A 6 -4.752 1.863 1.329 1.00 1.00 H new ATOM 100 N GLN A 7 -2.190 6.031 -4.312 1.00 1.00 N ATOM 101 CA GLN A 7 -1.686 5.173 -5.416 1.00 1.00 C ATOM 102 C GLN A 7 -0.189 5.427 -5.590 1.00 1.00 C ATOM 103 O GLN A 7 0.520 4.642 -6.188 1.00 1.00 O ATOM 104 CB GLN A 7 -2.427 5.523 -6.713 1.00 1.00 C ATOM 105 CG GLN A 7 -1.918 4.645 -7.859 1.00 1.00 C ATOM 106 CD GLN A 7 -0.628 5.237 -8.431 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.369 4.552 -8.548 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.604 6.489 -8.795 1.00 1.00 N ATOM 0 H GLN A 7 -2.516 6.955 -4.595 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.856 4.122 -5.182 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.499 5.377 -6.580 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.276 6.575 -6.955 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.736 3.632 -7.500 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.675 4.576 -8.640 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.440 7.065 -8.697 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.251 6.893 -9.178 1.00 1.00 H new ATOM 117 N LYS A 8 0.294 6.532 -5.085 1.00 1.00 N ATOM 118 CA LYS A 8 1.742 6.855 -5.240 1.00 1.00 C ATOM 119 C LYS A 8 2.564 6.294 -4.070 1.00 1.00 C ATOM 120 O LYS A 8 3.574 5.648 -4.269 1.00 1.00 O ATOM 121 CB LYS A 8 1.911 8.376 -5.285 1.00 1.00 C ATOM 122 CG LYS A 8 0.961 8.978 -6.333 1.00 1.00 C ATOM 123 CD LYS A 8 1.633 8.966 -7.709 1.00 1.00 C ATOM 124 CE LYS A 8 0.705 9.618 -8.735 1.00 1.00 C ATOM 125 NZ LYS A 8 -0.669 9.056 -8.592 1.00 1.00 N ATOM 0 H LYS A 8 -0.252 7.224 -4.572 1.00 1.00 H new ATOM 0 HA LYS A 8 2.101 6.400 -6.163 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.702 8.803 -4.304 1.00 1.00 H new ATOM 0 HB3 LYS A 8 2.943 8.629 -5.529 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.033 8.407 -6.366 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.698 9.999 -6.055 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.581 9.503 -7.667 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.859 7.942 -8.006 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.685 10.698 -8.588 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.079 9.441 -9.743 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.934 8.559 -9.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.690 8.389 -7.795 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -1.343 9.828 -8.415 1.00 1.00 H new ATOM 139 N LYS A 9 2.168 6.565 -2.852 1.00 1.00 N ATOM 140 CA LYS A 9 2.964 6.075 -1.684 1.00 1.00 C ATOM 141 C LYS A 9 2.498 4.687 -1.220 1.00 1.00 C ATOM 142 O LYS A 9 3.296 3.785 -1.063 1.00 1.00 O ATOM 143 CB LYS A 9 2.828 7.072 -0.528 1.00 1.00 C ATOM 144 CG LYS A 9 1.360 7.193 -0.109 1.00 1.00 C ATOM 145 CD LYS A 9 1.161 8.483 0.690 1.00 1.00 C ATOM 146 CE LYS A 9 -0.171 8.419 1.440 1.00 1.00 C ATOM 147 NZ LYS A 9 -0.086 7.391 2.515 1.00 1.00 N ATOM 0 H LYS A 9 1.333 7.101 -2.616 1.00 1.00 H new ATOM 0 HA LYS A 9 4.005 5.991 -1.995 1.00 1.00 H new ATOM 0 HB2 LYS A 9 3.430 6.743 0.319 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.210 8.047 -0.831 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.718 7.196 -0.990 1.00 1.00 H new ATOM 0 HG3 LYS A 9 1.071 6.332 0.493 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.981 8.617 1.395 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.173 9.343 0.021 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.405 9.393 1.871 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.978 8.173 0.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.024 6.967 2.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 0.588 6.650 2.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 0.238 7.837 3.397 1.00 1.00 H new ATOM 161 N HIS A 10 1.230 4.507 -0.970 1.00 1.00 N ATOM 162 CA HIS A 10 0.753 3.174 -0.486 1.00 1.00 C ATOM 163 C HIS A 10 0.918 2.114 -1.573 1.00 1.00 C ATOM 164 O HIS A 10 0.881 0.944 -1.287 1.00 1.00 O ATOM 165 CB HIS A 10 -0.721 3.264 -0.074 1.00 1.00 C ATOM 166 CG HIS A 10 -0.824 3.853 1.308 1.00 1.00 C ATOM 167 ND1 HIS A 10 -0.431 3.152 2.441 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.271 5.072 1.757 1.00 1.00 C ATOM 169 CE1 HIS A 10 -0.650 3.948 3.505 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.159 5.126 3.141 1.00 1.00 N ATOM 0 H HIS A 10 0.506 5.217 -1.078 1.00 1.00 H new ATOM 0 HA HIS A 10 1.354 2.886 0.376 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.271 3.881 -0.785 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.176 2.273 -0.093 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -0.047 2.207 2.463 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.651 5.866 1.131 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -0.440 3.667 4.526 1.00 1.00 H new ATOM 179 N LEU A 11 1.096 2.497 -2.810 1.00 1.00 N ATOM 180 CA LEU A 11 1.258 1.468 -3.888 1.00 1.00 C ATOM 181 C LEU A 11 2.601 1.655 -4.591 1.00 1.00 C ATOM 182 O LEU A 11 3.076 2.759 -4.762 1.00 1.00 O ATOM 183 CB LEU A 11 0.128 1.621 -4.915 1.00 1.00 C ATOM 184 CG LEU A 11 -1.018 0.666 -4.574 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.614 1.041 -3.215 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.098 0.767 -5.652 1.00 1.00 C ATOM 0 H LEU A 11 1.136 3.467 -3.122 1.00 1.00 H new ATOM 0 HA LEU A 11 1.220 0.475 -3.440 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.233 2.649 -4.921 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.504 1.410 -5.916 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.639 -0.355 -4.530 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.430 0.359 -2.975 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.843 0.969 -2.447 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -1.994 2.062 -3.254 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.916 0.088 -5.412 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.475 1.789 -5.694 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.673 0.497 -6.619 1.00 1.00 H new ATOM 198 N THR A 12 3.207 0.575 -5.019 1.00 1.00 N ATOM 199 CA THR A 12 4.514 0.681 -5.736 1.00 1.00 C ATOM 200 C THR A 12 4.411 -0.058 -7.071 1.00 1.00 C ATOM 201 O THR A 12 3.328 -0.352 -7.540 1.00 1.00 O ATOM 202 CB THR A 12 5.636 0.070 -4.888 1.00 1.00 C ATOM 203 OG1 THR A 12 6.786 -0.111 -5.701 1.00 1.00 O ATOM 204 CG2 THR A 12 5.197 -1.282 -4.312 1.00 1.00 C ATOM 0 H THR A 12 2.853 -0.374 -4.903 1.00 1.00 H new ATOM 0 HA THR A 12 4.746 1.731 -5.912 1.00 1.00 H new ATOM 0 HB THR A 12 5.865 0.743 -4.062 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.475 0.536 -5.442 1.00 1.00 H new ATOM 0 HG21 THR A 12 6.005 -1.702 -3.713 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.316 -1.142 -3.686 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.958 -1.964 -5.128 1.00 1.00 H new ATOM 212 N ASP A 13 5.522 -0.349 -7.697 1.00 1.00 N ATOM 213 CA ASP A 13 5.477 -1.053 -9.014 1.00 1.00 C ATOM 214 C ASP A 13 6.224 -2.389 -8.938 1.00 1.00 C ATOM 215 O ASP A 13 6.434 -3.037 -9.944 1.00 1.00 O ATOM 216 CB ASP A 13 6.137 -0.172 -10.077 1.00 1.00 C ATOM 217 CG ASP A 13 5.232 1.023 -10.382 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.833 1.694 -9.444 1.00 1.00 O ATOM 219 OD2 ASP A 13 4.954 1.248 -11.549 1.00 1.00 O ATOM 0 H ASP A 13 6.457 -0.130 -7.354 1.00 1.00 H new ATOM 0 HA ASP A 13 4.436 -1.245 -9.273 1.00 1.00 H new ATOM 0 HB2 ASP A 13 7.109 0.174 -9.725 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.314 -0.749 -10.985 1.00 1.00 H new ATOM 224 N THR A 14 6.632 -2.816 -7.771 1.00 1.00 N ATOM 225 CA THR A 14 7.364 -4.116 -7.686 1.00 1.00 C ATOM 226 C THR A 14 7.075 -4.800 -6.349 1.00 1.00 C ATOM 227 O THR A 14 6.778 -4.159 -5.361 1.00 1.00 O ATOM 228 CB THR A 14 8.866 -3.857 -7.807 1.00 1.00 C ATOM 229 OG1 THR A 14 9.563 -5.095 -7.757 1.00 1.00 O ATOM 230 CG2 THR A 14 9.322 -2.964 -6.653 1.00 1.00 C ATOM 0 H THR A 14 6.493 -2.330 -6.885 1.00 1.00 H new ATOM 0 HA THR A 14 7.031 -4.765 -8.496 1.00 1.00 H new ATOM 0 HB THR A 14 9.077 -3.360 -8.754 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.526 -4.932 -7.836 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.393 -2.778 -6.738 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.785 -2.016 -6.692 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.114 -3.460 -5.705 1.00 1.00 H new ATOM 238 N LYS A 15 7.174 -6.102 -6.314 1.00 1.00 N ATOM 239 CA LYS A 15 6.920 -6.836 -5.044 1.00 1.00 C ATOM 240 C LYS A 15 8.104 -6.621 -4.101 1.00 1.00 C ATOM 241 O LYS A 15 8.023 -6.871 -2.916 1.00 1.00 O ATOM 242 CB LYS A 15 6.764 -8.330 -5.340 1.00 1.00 C ATOM 243 CG LYS A 15 7.827 -8.763 -6.353 1.00 1.00 C ATOM 244 CD LYS A 15 7.890 -10.293 -6.409 1.00 1.00 C ATOM 245 CE LYS A 15 6.597 -10.841 -7.020 1.00 1.00 C ATOM 246 NZ LYS A 15 6.805 -12.258 -7.430 1.00 1.00 N ATOM 0 H LYS A 15 7.420 -6.688 -7.112 1.00 1.00 H new ATOM 0 HA LYS A 15 6.007 -6.465 -4.579 1.00 1.00 H new ATOM 0 HB2 LYS A 15 6.866 -8.906 -4.421 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.768 -8.532 -5.734 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.589 -8.362 -7.338 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.799 -8.359 -6.071 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.747 -10.610 -7.003 1.00 1.00 H new ATOM 0 HD3 LYS A 15 8.030 -10.698 -5.407 1.00 1.00 H new ATOM 0 HE2 LYS A 15 5.784 -10.776 -6.297 1.00 1.00 H new ATOM 0 HE3 LYS A 15 6.306 -10.240 -7.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 5.928 -12.632 -7.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 7.569 -12.307 -8.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 7.063 -12.826 -6.598 1.00 1.00 H new ATOM 260 N LYS A 16 9.207 -6.156 -4.628 1.00 1.00 N ATOM 261 CA LYS A 16 10.412 -5.911 -3.783 1.00 1.00 C ATOM 262 C LYS A 16 10.858 -4.458 -3.963 1.00 1.00 C ATOM 263 O LYS A 16 11.888 -4.182 -4.546 1.00 1.00 O ATOM 264 CB LYS A 16 11.538 -6.848 -4.228 1.00 1.00 C ATOM 265 CG LYS A 16 11.130 -8.303 -3.966 1.00 1.00 C ATOM 266 CD LYS A 16 11.834 -9.221 -4.969 1.00 1.00 C ATOM 267 CE LYS A 16 11.760 -10.669 -4.478 1.00 1.00 C ATOM 268 NZ LYS A 16 10.336 -11.108 -4.443 1.00 1.00 N ATOM 0 H LYS A 16 9.325 -5.934 -5.617 1.00 1.00 H new ATOM 0 HA LYS A 16 10.176 -6.097 -2.735 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.747 -6.704 -5.288 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.455 -6.614 -3.687 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.395 -8.588 -2.948 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.049 -8.410 -4.056 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.365 -9.134 -5.949 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.875 -8.919 -5.086 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.336 -11.318 -5.138 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.202 -10.751 -3.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 10.166 -11.667 -3.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 9.715 -10.273 -4.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 10.131 -11.690 -5.280 1.00 1.00 H new ATOM 282 N VAL A 17 10.084 -3.527 -3.476 1.00 1.00 N ATOM 283 CA VAL A 17 10.455 -2.091 -3.628 1.00 1.00 C ATOM 284 C VAL A 17 11.874 -1.859 -3.143 1.00 1.00 C ATOM 285 O VAL A 17 12.480 -2.701 -2.510 1.00 1.00 O ATOM 286 CB VAL A 17 9.522 -1.214 -2.799 1.00 1.00 C ATOM 287 CG1 VAL A 17 8.093 -1.369 -3.305 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.602 -1.630 -1.325 1.00 1.00 C ATOM 0 H VAL A 17 9.210 -3.699 -2.979 1.00 1.00 H new ATOM 0 HA VAL A 17 10.373 -1.833 -4.684 1.00 1.00 H new ATOM 0 HB VAL A 17 9.824 -0.171 -2.893 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.427 -0.742 -2.712 1.00 1.00 H new ATOM 0 HG12 VAL A 17 8.042 -1.065 -4.351 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.786 -2.411 -3.215 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.935 -1.003 -0.733 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.303 -2.673 -1.225 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.625 -1.510 -0.968 1.00 1.00 H new ATOM 298 N LYS A 18 12.392 -0.698 -3.415 1.00 1.00 N ATOM 299 CA LYS A 18 13.760 -0.365 -2.954 1.00 1.00 C ATOM 300 C LYS A 18 13.630 0.493 -1.699 1.00 1.00 C ATOM 301 O LYS A 18 13.940 1.664 -1.700 1.00 1.00 O ATOM 302 CB LYS A 18 14.501 0.410 -4.049 1.00 1.00 C ATOM 303 CG LYS A 18 13.507 1.289 -4.812 1.00 1.00 C ATOM 304 CD LYS A 18 14.264 2.206 -5.778 1.00 1.00 C ATOM 305 CE LYS A 18 15.105 1.364 -6.741 1.00 1.00 C ATOM 306 NZ LYS A 18 14.353 0.135 -7.120 1.00 1.00 N ATOM 0 H LYS A 18 11.922 0.039 -3.941 1.00 1.00 H new ATOM 0 HA LYS A 18 14.324 -1.272 -2.736 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.284 1.027 -3.607 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.990 -0.284 -4.733 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.804 0.665 -5.364 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.922 1.886 -4.112 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.559 2.820 -6.338 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.906 2.887 -5.220 1.00 1.00 H new ATOM 0 HE2 LYS A 18 15.346 1.944 -7.632 1.00 1.00 H new ATOM 0 HE3 LYS A 18 16.051 1.093 -6.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.713 -0.226 -8.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 14.478 -0.589 -6.384 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 13.342 0.362 -7.214 1.00 1.00 H new ATOM 320 N CYS A 19 13.142 -0.092 -0.639 1.00 1.00 N ATOM 321 CA CYS A 19 12.944 0.656 0.636 1.00 1.00 C ATOM 322 C CYS A 19 13.968 1.794 0.778 1.00 1.00 C ATOM 323 O CYS A 19 13.640 2.882 1.212 1.00 1.00 O ATOM 324 CB CYS A 19 13.105 -0.314 1.808 1.00 1.00 C ATOM 325 SG CYS A 19 11.594 -1.292 1.981 1.00 1.00 S ATOM 0 H CYS A 19 12.867 -1.074 -0.602 1.00 1.00 H new ATOM 0 HA CYS A 19 11.945 1.093 0.632 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.959 -0.969 1.639 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.303 0.237 2.727 1.00 1.00 H new ATOM 330 N ASP A 20 15.201 1.550 0.424 1.00 1.00 N ATOM 331 CA ASP A 20 16.240 2.614 0.551 1.00 1.00 C ATOM 332 C ASP A 20 15.706 3.925 -0.027 1.00 1.00 C ATOM 333 O ASP A 20 15.896 4.986 0.533 1.00 1.00 O ATOM 334 CB ASP A 20 17.498 2.189 -0.211 1.00 1.00 C ATOM 335 CG ASP A 20 18.495 3.351 -0.245 1.00 1.00 C ATOM 336 OD1 ASP A 20 19.099 3.617 0.781 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.636 3.954 -1.296 1.00 1.00 O ATOM 0 H ASP A 20 15.534 0.660 0.052 1.00 1.00 H new ATOM 0 HA ASP A 20 16.485 2.760 1.603 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.951 1.322 0.270 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.237 1.891 -1.226 1.00 1.00 H new ATOM 342 N VAL A 21 15.027 3.855 -1.138 1.00 1.00 N ATOM 343 CA VAL A 21 14.460 5.086 -1.756 1.00 1.00 C ATOM 344 C VAL A 21 12.956 5.128 -1.478 1.00 1.00 C ATOM 345 O VAL A 21 12.385 6.175 -1.254 1.00 1.00 O ATOM 346 CB VAL A 21 14.712 5.051 -3.269 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.628 6.468 -3.869 1.00 1.00 C ATOM 348 CG2 VAL A 21 16.102 4.463 -3.530 1.00 1.00 C ATOM 0 H VAL A 21 14.839 2.992 -1.648 1.00 1.00 H new ATOM 0 HA VAL A 21 14.933 5.973 -1.335 1.00 1.00 H new ATOM 0 HB VAL A 21 13.949 4.432 -3.741 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.810 6.420 -4.943 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.636 6.882 -3.687 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.379 7.106 -3.402 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.289 4.434 -4.603 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.856 5.084 -3.046 1.00 1.00 H new ATOM 0 HG23 VAL A 21 16.151 3.452 -3.126 1.00 1.00 H new ATOM 358 N GLU A 22 12.309 3.991 -1.462 1.00 1.00 N ATOM 359 CA GLU A 22 10.848 3.977 -1.172 1.00 1.00 C ATOM 360 C GLU A 22 10.631 4.570 0.220 1.00 1.00 C ATOM 361 O GLU A 22 9.521 4.685 0.700 1.00 1.00 O ATOM 362 CB GLU A 22 10.322 2.532 -1.214 1.00 1.00 C ATOM 363 CG GLU A 22 9.020 2.470 -2.024 1.00 1.00 C ATOM 364 CD GLU A 22 8.037 3.520 -1.503 1.00 1.00 C ATOM 365 OE1 GLU A 22 7.758 3.507 -0.317 1.00 1.00 O ATOM 366 OE2 GLU A 22 7.580 4.322 -2.301 1.00 1.00 O ATOM 0 H GLU A 22 12.728 3.078 -1.636 1.00 1.00 H new ATOM 0 HA GLU A 22 10.310 4.563 -1.917 1.00 1.00 H new ATOM 0 HB2 GLU A 22 11.070 1.877 -1.661 1.00 1.00 H new ATOM 0 HB3 GLU A 22 10.147 2.170 -0.201 1.00 1.00 H new ATOM 0 HG2 GLU A 22 9.229 2.645 -3.079 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.580 1.476 -1.947 1.00 1.00 H new ATOM 373 N MET A 23 11.703 4.937 0.871 1.00 1.00 N ATOM 374 CA MET A 23 11.604 5.517 2.242 1.00 1.00 C ATOM 375 C MET A 23 12.435 6.800 2.315 1.00 1.00 C ATOM 376 O MET A 23 11.992 7.809 2.827 1.00 1.00 O ATOM 377 CB MET A 23 12.151 4.509 3.257 1.00 1.00 C ATOM 378 CG MET A 23 11.434 3.165 3.098 1.00 1.00 C ATOM 379 SD MET A 23 9.829 3.236 3.931 1.00 1.00 S ATOM 380 CE MET A 23 10.446 3.321 5.632 1.00 1.00 C ATOM 0 H MET A 23 12.653 4.859 0.507 1.00 1.00 H new ATOM 0 HA MET A 23 10.561 5.742 2.467 1.00 1.00 H new ATOM 0 HB2 MET A 23 13.223 4.378 3.111 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.011 4.888 4.270 1.00 1.00 H new ATOM 0 HG2 MET A 23 11.297 2.936 2.041 1.00 1.00 H new ATOM 0 HG3 MET A 23 12.041 2.365 3.522 1.00 1.00 H new ATOM 0 HE1 MET A 23 9.668 2.985 6.318 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.321 2.680 5.734 1.00 1.00 H new ATOM 0 HE3 MET A 23 10.720 4.349 5.869 1.00 1.00 H new ATOM 390 N ALA A 24 13.639 6.768 1.814 1.00 1.00 N ATOM 391 CA ALA A 24 14.497 7.984 1.862 1.00 1.00 C ATOM 392 C ALA A 24 14.076 8.954 0.756 1.00 1.00 C ATOM 393 O ALA A 24 14.713 9.964 0.527 1.00 1.00 O ATOM 394 CB ALA A 24 15.960 7.583 1.661 1.00 1.00 C ATOM 0 H ALA A 24 14.065 5.953 1.374 1.00 1.00 H new ATOM 0 HA ALA A 24 14.383 8.470 2.831 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.589 8.472 1.696 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.260 6.895 2.451 1.00 1.00 H new ATOM 0 HB3 ALA A 24 16.074 7.096 0.693 1.00 1.00 H new ATOM 400 N LYS A 25 13.009 8.656 0.068 1.00 1.00 N ATOM 401 CA LYS A 25 12.546 9.560 -1.024 1.00 1.00 C ATOM 402 C LYS A 25 12.326 10.967 -0.455 1.00 1.00 C ATOM 403 O LYS A 25 12.787 11.292 0.620 1.00 1.00 O ATOM 404 CB LYS A 25 11.228 9.024 -1.600 1.00 1.00 C ATOM 405 CG LYS A 25 11.511 8.167 -2.847 1.00 1.00 C ATOM 406 CD LYS A 25 10.503 7.013 -2.939 1.00 1.00 C ATOM 407 CE LYS A 25 9.299 7.443 -3.781 1.00 1.00 C ATOM 408 NZ LYS A 25 9.680 7.457 -5.221 1.00 1.00 N ATOM 0 H LYS A 25 12.436 7.825 0.214 1.00 1.00 H new ATOM 0 HA LYS A 25 13.296 9.601 -1.814 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.708 8.429 -0.849 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.571 9.854 -1.860 1.00 1.00 H new ATOM 0 HG2 LYS A 25 11.450 8.785 -3.743 1.00 1.00 H new ATOM 0 HG3 LYS A 25 12.525 7.770 -2.802 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.977 6.139 -3.385 1.00 1.00 H new ATOM 0 HD3 LYS A 25 10.175 6.723 -1.941 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.466 6.758 -3.621 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.961 8.433 -3.473 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 8.823 7.394 -5.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 10.184 8.340 -5.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 10.299 6.646 -5.424 1.00 1.00 H new ATOM 422 N ALA A 26 11.618 11.800 -1.172 1.00 1.00 N ATOM 423 CA ALA A 26 11.361 13.184 -0.680 1.00 1.00 C ATOM 424 C ALA A 26 9.947 13.269 -0.095 1.00 1.00 C ATOM 425 O ALA A 26 9.620 14.198 0.618 1.00 1.00 O ATOM 426 CB ALA A 26 11.486 14.168 -1.845 1.00 1.00 C ATOM 0 H ALA A 26 11.206 11.580 -2.079 1.00 1.00 H new ATOM 0 HA ALA A 26 12.089 13.434 0.092 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.298 15.181 -1.488 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.491 14.111 -2.263 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.758 13.914 -2.615 1.00 1.00 H new ATOM 432 N LEU A 27 9.103 12.313 -0.389 1.00 1.00 N ATOM 433 CA LEU A 27 7.714 12.357 0.156 1.00 1.00 C ATOM 434 C LEU A 27 7.650 11.567 1.467 1.00 1.00 C ATOM 435 O LEU A 27 6.632 11.531 2.130 1.00 1.00 O ATOM 436 CB LEU A 27 6.735 11.760 -0.868 1.00 1.00 C ATOM 437 CG LEU A 27 6.900 10.228 -0.949 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.789 9.533 -0.154 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.812 9.782 -2.413 1.00 1.00 C ATOM 0 H LEU A 27 9.314 11.509 -0.979 1.00 1.00 H new ATOM 0 HA LEU A 27 7.435 13.392 0.351 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.711 12.006 -0.587 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.911 12.202 -1.848 1.00 1.00 H new ATOM 0 HG LEU A 27 7.869 9.957 -0.531 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.917 8.452 -0.219 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.840 9.842 0.890 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.819 9.809 -0.567 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.928 8.700 -2.471 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.842 10.065 -2.822 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.603 10.264 -2.988 1.00 1.00 H new ATOM 451 N PHE A 28 8.735 10.946 1.851 1.00 1.00 N ATOM 452 CA PHE A 28 8.747 10.163 3.126 1.00 1.00 C ATOM 453 C PHE A 28 9.680 10.843 4.131 1.00 1.00 C ATOM 454 O PHE A 28 9.322 11.059 5.269 1.00 1.00 O ATOM 455 CB PHE A 28 9.259 8.743 2.855 1.00 1.00 C ATOM 456 CG PHE A 28 8.126 7.863 2.374 1.00 1.00 C ATOM 457 CD1 PHE A 28 7.027 7.617 3.207 1.00 1.00 C ATOM 458 CD2 PHE A 28 8.181 7.284 1.099 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.983 6.797 2.764 1.00 1.00 C ATOM 460 CE2 PHE A 28 7.137 6.462 0.659 1.00 1.00 C ATOM 461 CZ PHE A 28 6.037 6.219 1.491 1.00 1.00 C ATOM 0 H PHE A 28 9.616 10.946 1.337 1.00 1.00 H new ATOM 0 HA PHE A 28 7.735 10.118 3.529 1.00 1.00 H new ATOM 0 HB2 PHE A 28 10.051 8.771 2.107 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.693 8.325 3.763 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.985 8.060 4.191 1.00 1.00 H new ATOM 0 HD2 PHE A 28 9.028 7.472 0.456 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.135 6.610 3.406 1.00 1.00 H new ATOM 0 HE2 PHE A 28 7.180 6.015 -0.323 1.00 1.00 H new ATOM 0 HZ PHE A 28 5.231 5.586 1.150 1.00 1.00 H new ATOM 471 N ASP A 29 10.877 11.171 3.714 1.00 1.00 N ATOM 472 CA ASP A 29 11.857 11.830 4.631 1.00 1.00 C ATOM 473 C ASP A 29 12.622 10.756 5.415 1.00 1.00 C ATOM 474 O ASP A 29 13.004 10.956 6.551 1.00 1.00 O ATOM 475 CB ASP A 29 11.134 12.771 5.607 1.00 1.00 C ATOM 476 CG ASP A 29 12.074 13.907 6.020 1.00 1.00 C ATOM 477 OD1 ASP A 29 12.423 14.702 5.162 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.428 13.963 7.186 1.00 1.00 O ATOM 0 H ASP A 29 11.221 11.009 2.767 1.00 1.00 H new ATOM 0 HA ASP A 29 12.556 12.419 4.037 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.239 13.179 5.138 1.00 1.00 H new ATOM 0 HB3 ASP A 29 10.808 12.217 6.487 1.00 1.00 H new ATOM 483 N CYS A 30 12.853 9.623 4.808 1.00 1.00 N ATOM 484 CA CYS A 30 13.602 8.532 5.500 1.00 1.00 C ATOM 485 C CYS A 30 12.935 8.188 6.836 1.00 1.00 C ATOM 486 O CYS A 30 13.525 8.340 7.888 1.00 1.00 O ATOM 487 CB CYS A 30 15.042 8.991 5.750 1.00 1.00 C ATOM 488 SG CYS A 30 15.986 7.643 6.504 1.00 1.00 S ATOM 0 H CYS A 30 12.554 9.404 3.858 1.00 1.00 H new ATOM 0 HA CYS A 30 13.599 7.643 4.869 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.506 9.293 4.811 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.048 9.863 6.404 1.00 1.00 H new ATOM 493 N LYS A 31 11.718 7.714 6.808 1.00 1.00 N ATOM 494 CA LYS A 31 11.032 7.351 8.084 1.00 1.00 C ATOM 495 C LYS A 31 11.740 6.149 8.712 1.00 1.00 C ATOM 496 O LYS A 31 12.952 6.080 8.753 1.00 1.00 O ATOM 497 CB LYS A 31 9.572 6.977 7.803 1.00 1.00 C ATOM 498 CG LYS A 31 8.908 8.034 6.914 1.00 1.00 C ATOM 499 CD LYS A 31 8.931 9.410 7.591 1.00 1.00 C ATOM 500 CE LYS A 31 8.357 9.320 9.010 1.00 1.00 C ATOM 501 NZ LYS A 31 7.188 8.396 9.021 1.00 1.00 N ATOM 0 H LYS A 31 11.170 7.563 5.961 1.00 1.00 H new ATOM 0 HA LYS A 31 11.065 8.203 8.763 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.527 6.003 7.315 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.026 6.888 8.742 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.425 8.087 5.956 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.878 7.744 6.705 1.00 1.00 H new ATOM 0 HD2 LYS A 31 9.953 9.786 7.629 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.352 10.121 7.002 1.00 1.00 H new ATOM 0 HE2 LYS A 31 9.122 8.963 9.700 1.00 1.00 H new ATOM 0 HE3 LYS A 31 8.054 10.309 9.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 6.510 8.703 9.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 6.727 8.409 8.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.511 7.431 9.234 1.00 1.00 H new ATOM 515 N LYS A 32 10.988 5.197 9.202 1.00 1.00 N ATOM 516 CA LYS A 32 11.608 3.991 9.827 1.00 1.00 C ATOM 517 C LYS A 32 10.781 2.752 9.470 1.00 1.00 C ATOM 518 O LYS A 32 11.307 1.668 9.310 1.00 1.00 O ATOM 519 CB LYS A 32 11.643 4.161 11.348 1.00 1.00 C ATOM 520 CG LYS A 32 10.225 4.392 11.874 1.00 1.00 C ATOM 521 CD LYS A 32 10.269 4.607 13.390 1.00 1.00 C ATOM 522 CE LYS A 32 10.826 3.354 14.077 1.00 1.00 C ATOM 523 NZ LYS A 32 12.311 3.453 14.164 1.00 1.00 N ATOM 0 H LYS A 32 9.968 5.203 9.196 1.00 1.00 H new ATOM 0 HA LYS A 32 12.625 3.871 9.454 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.074 3.274 11.813 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.282 5.003 11.615 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.782 5.260 11.386 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.594 3.536 11.636 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.892 5.470 13.626 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.269 4.824 13.765 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.399 3.253 15.075 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.543 2.463 13.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 12.742 2.639 13.681 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 12.628 4.333 13.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 12.601 3.456 15.163 1.00 1.00 H new ATOM 537 N THR A 33 9.490 2.904 9.339 1.00 1.00 N ATOM 538 CA THR A 33 8.621 1.743 8.987 1.00 1.00 C ATOM 539 C THR A 33 7.625 2.180 7.911 1.00 1.00 C ATOM 540 O THR A 33 7.245 3.331 7.841 1.00 1.00 O ATOM 541 CB THR A 33 7.857 1.279 10.231 1.00 1.00 C ATOM 542 OG1 THR A 33 7.096 0.122 9.913 1.00 1.00 O ATOM 543 CG2 THR A 33 6.922 2.394 10.703 1.00 1.00 C ATOM 0 H THR A 33 8.997 3.788 9.462 1.00 1.00 H new ATOM 0 HA THR A 33 9.234 0.922 8.615 1.00 1.00 H new ATOM 0 HB THR A 33 8.565 1.042 11.025 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.608 -0.177 10.708 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.379 2.063 11.588 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.507 3.281 10.947 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.213 2.634 9.911 1.00 1.00 H new ATOM 551 N ASN A 34 7.207 1.280 7.064 1.00 1.00 N ATOM 552 CA ASN A 34 6.245 1.673 5.996 1.00 1.00 C ATOM 553 C ASN A 34 5.694 0.430 5.295 1.00 1.00 C ATOM 554 O ASN A 34 6.333 -0.601 5.238 1.00 1.00 O ATOM 555 CB ASN A 34 6.966 2.551 4.971 1.00 1.00 C ATOM 556 CG ASN A 34 5.949 3.427 4.235 1.00 1.00 C ATOM 557 OD1 ASN A 34 6.048 4.637 4.254 1.00 1.00 O ATOM 558 ND2 ASN A 34 4.970 2.862 3.584 1.00 1.00 N ATOM 0 H ASN A 34 7.486 0.299 7.064 1.00 1.00 H new ATOM 0 HA ASN A 34 5.418 2.222 6.446 1.00 1.00 H new ATOM 0 HB2 ASN A 34 7.706 3.177 5.470 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.506 1.927 4.259 1.00 1.00 H new ATOM 0 HD21 ASN A 34 4.287 3.437 3.090 1.00 1.00 H new ATOM 0 HD22 ASN A 34 4.887 1.845 3.568 1.00 1.00 H new ATOM 565 N THR A 35 4.510 0.534 4.755 1.00 1.00 N ATOM 566 CA THR A 35 3.897 -0.622 4.040 1.00 1.00 C ATOM 567 C THR A 35 3.376 -0.146 2.682 1.00 1.00 C ATOM 568 O THR A 35 3.040 1.008 2.506 1.00 1.00 O ATOM 569 CB THR A 35 2.735 -1.173 4.875 1.00 1.00 C ATOM 570 OG1 THR A 35 3.253 -1.854 6.009 1.00 1.00 O ATOM 571 CG2 THR A 35 1.902 -2.144 4.033 1.00 1.00 C ATOM 0 H THR A 35 3.937 1.377 4.779 1.00 1.00 H new ATOM 0 HA THR A 35 4.639 -1.407 3.892 1.00 1.00 H new ATOM 0 HB THR A 35 2.101 -0.347 5.199 1.00 1.00 H new ATOM 0 HG1 THR A 35 3.475 -2.776 5.763 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.078 -2.531 4.633 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.503 -1.622 3.163 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.531 -2.971 3.703 1.00 1.00 H new ATOM 579 N PHE A 36 3.287 -1.029 1.727 1.00 1.00 N ATOM 580 CA PHE A 36 2.764 -0.629 0.383 1.00 1.00 C ATOM 581 C PHE A 36 2.028 -1.823 -0.220 1.00 1.00 C ATOM 582 O PHE A 36 2.069 -2.906 0.316 1.00 1.00 O ATOM 583 CB PHE A 36 3.907 -0.227 -0.564 1.00 1.00 C ATOM 584 CG PHE A 36 5.100 0.294 0.201 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.139 1.628 0.622 1.00 1.00 C ATOM 586 CD2 PHE A 36 6.187 -0.550 0.453 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.266 2.113 1.295 1.00 1.00 C ATOM 588 CE2 PHE A 36 7.307 -0.067 1.131 1.00 1.00 C ATOM 589 CZ PHE A 36 7.349 1.263 1.550 1.00 1.00 C ATOM 0 H PHE A 36 3.552 -2.010 1.815 1.00 1.00 H new ATOM 0 HA PHE A 36 2.101 0.227 0.505 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.205 -1.088 -1.163 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.555 0.537 -1.257 1.00 1.00 H new ATOM 0 HD1 PHE A 36 4.301 2.282 0.428 1.00 1.00 H new ATOM 0 HD2 PHE A 36 6.159 -1.578 0.122 1.00 1.00 H new ATOM 0 HE1 PHE A 36 6.300 3.143 1.618 1.00 1.00 H new ATOM 0 HE2 PHE A 36 8.141 -0.723 1.331 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.218 1.637 2.071 1.00 1.00 H new ATOM 599 N ILE A 37 1.353 -1.636 -1.328 1.00 1.00 N ATOM 600 CA ILE A 37 0.609 -2.763 -1.957 1.00 1.00 C ATOM 601 C ILE A 37 1.119 -2.982 -3.383 1.00 1.00 C ATOM 602 O ILE A 37 1.318 -2.044 -4.139 1.00 1.00 O ATOM 603 CB ILE A 37 -0.886 -2.421 -1.984 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.348 -1.998 -0.572 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.680 -3.649 -2.437 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.498 -0.985 -0.665 1.00 1.00 C ATOM 0 H ILE A 37 1.287 -0.747 -1.823 1.00 1.00 H new ATOM 0 HA ILE A 37 0.764 -3.676 -1.382 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.058 -1.599 -2.679 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.672 -2.875 -0.011 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.513 -1.560 -0.025 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.743 -3.408 -2.457 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.356 -3.944 -3.435 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.507 -4.471 -1.742 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.812 -0.697 0.339 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.162 -0.101 -1.207 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.338 -1.436 -1.192 1.00 1.00 H new ATOM 618 N TYR A 38 1.341 -4.221 -3.754 1.00 1.00 N ATOM 619 CA TYR A 38 1.838 -4.513 -5.133 1.00 1.00 C ATOM 620 C TYR A 38 0.664 -4.952 -6.010 1.00 1.00 C ATOM 621 O TYR A 38 0.238 -6.089 -5.968 1.00 1.00 O ATOM 622 CB TYR A 38 2.877 -5.636 -5.081 1.00 1.00 C ATOM 623 CG TYR A 38 3.304 -5.997 -6.485 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.939 -5.043 -7.290 1.00 1.00 C ATOM 625 CD2 TYR A 38 3.065 -7.284 -6.982 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.334 -5.376 -8.591 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.461 -7.617 -8.283 1.00 1.00 C ATOM 628 CZ TYR A 38 4.096 -6.663 -9.087 1.00 1.00 C ATOM 629 OH TYR A 38 4.485 -6.991 -10.369 1.00 1.00 O ATOM 0 H TYR A 38 1.199 -5.039 -3.162 1.00 1.00 H new ATOM 0 HA TYR A 38 2.296 -3.616 -5.550 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.741 -5.319 -4.497 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.458 -6.510 -4.581 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.124 -4.050 -6.907 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.575 -8.020 -6.362 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.822 -4.640 -9.212 1.00 1.00 H new ATOM 0 HE2 TYR A 38 3.277 -8.610 -8.666 1.00 1.00 H new ATOM 0 HH TYR A 38 4.246 -7.923 -10.555 1.00 1.00 H new ATOM 639 N ALA A 39 0.137 -4.062 -6.806 1.00 1.00 N ATOM 640 CA ALA A 39 -1.008 -4.434 -7.684 1.00 1.00 C ATOM 641 C ALA A 39 -1.164 -3.390 -8.791 1.00 1.00 C ATOM 642 O ALA A 39 -0.640 -2.297 -8.705 1.00 1.00 O ATOM 643 CB ALA A 39 -2.291 -4.492 -6.852 1.00 1.00 C ATOM 0 H ALA A 39 0.450 -3.094 -6.886 1.00 1.00 H new ATOM 0 HA ALA A 39 -0.820 -5.410 -8.131 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.129 -4.764 -7.494 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.180 -5.237 -6.064 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.479 -3.516 -6.404 1.00 1.00 H new ATOM 649 N LEU A 40 -1.885 -3.716 -9.830 1.00 1.00 N ATOM 650 CA LEU A 40 -2.078 -2.739 -10.938 1.00 1.00 C ATOM 651 C LEU A 40 -3.230 -1.788 -10.566 1.00 1.00 C ATOM 652 O LEU A 40 -4.142 -2.164 -9.857 1.00 1.00 O ATOM 653 CB LEU A 40 -2.353 -3.514 -12.243 1.00 1.00 C ATOM 654 CG LEU A 40 -3.857 -3.663 -12.509 1.00 1.00 C ATOM 655 CD1 LEU A 40 -4.329 -2.501 -13.380 1.00 1.00 C ATOM 656 CD2 LEU A 40 -4.118 -4.979 -13.250 1.00 1.00 C ATOM 0 H LEU A 40 -2.348 -4.616 -9.959 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.185 -2.134 -11.094 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.885 -2.995 -13.080 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.895 -4.501 -12.183 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.396 -3.662 -11.561 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.397 -2.601 -13.573 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -4.140 -1.560 -12.864 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.787 -2.512 -14.326 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -5.186 -5.085 -13.439 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.581 -4.975 -14.198 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.773 -5.814 -12.641 1.00 1.00 H new ATOM 668 N PRO A 41 -3.172 -0.555 -11.008 1.00 1.00 N ATOM 669 CA PRO A 41 -4.214 0.471 -10.682 1.00 1.00 C ATOM 670 C PRO A 41 -5.627 0.074 -11.133 1.00 1.00 C ATOM 671 O PRO A 41 -6.551 0.056 -10.346 1.00 1.00 O ATOM 672 CB PRO A 41 -3.744 1.734 -11.425 1.00 1.00 C ATOM 673 CG PRO A 41 -2.753 1.263 -12.440 1.00 1.00 C ATOM 674 CD PRO A 41 -2.116 0.001 -11.868 1.00 1.00 C ATOM 0 HA PRO A 41 -4.301 0.604 -9.604 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.582 2.242 -11.903 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.290 2.447 -10.737 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -3.242 1.054 -13.392 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.999 2.027 -12.630 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.830 -0.697 -12.655 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.214 0.228 -11.300 1.00 1.00 H new ATOM 682 N GLY A 42 -5.807 -0.232 -12.387 1.00 1.00 N ATOM 683 CA GLY A 42 -7.168 -0.611 -12.873 1.00 1.00 C ATOM 684 C GLY A 42 -7.806 -1.622 -11.915 1.00 1.00 C ATOM 685 O GLY A 42 -8.942 -1.478 -11.518 1.00 1.00 O ATOM 0 H GLY A 42 -5.075 -0.237 -13.097 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.796 0.277 -12.948 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.099 -1.039 -13.873 1.00 1.00 H new ATOM 689 N ARG A 43 -7.085 -2.644 -11.545 1.00 1.00 N ATOM 690 CA ARG A 43 -7.645 -3.670 -10.621 1.00 1.00 C ATOM 691 C ARG A 43 -7.896 -3.051 -9.242 1.00 1.00 C ATOM 692 O ARG A 43 -8.774 -3.473 -8.514 1.00 1.00 O ATOM 693 CB ARG A 43 -6.647 -4.825 -10.486 1.00 1.00 C ATOM 694 CG ARG A 43 -7.319 -6.015 -9.792 1.00 1.00 C ATOM 695 CD ARG A 43 -6.527 -7.293 -10.082 1.00 1.00 C ATOM 696 NE ARG A 43 -5.159 -7.172 -9.502 1.00 1.00 N ATOM 697 CZ ARG A 43 -4.949 -7.475 -8.250 1.00 1.00 C ATOM 698 NH1 ARG A 43 -5.938 -7.880 -7.500 1.00 1.00 N ATOM 699 NH2 ARG A 43 -3.749 -7.373 -7.747 1.00 1.00 N ATOM 0 H ARG A 43 -6.125 -2.814 -11.845 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.588 -4.040 -11.023 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -6.287 -5.123 -11.471 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.778 -4.502 -9.913 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -7.368 -5.842 -8.717 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -8.345 -6.123 -10.145 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -7.039 -8.156 -9.656 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -6.464 -7.459 -11.158 1.00 1.00 H new ATOM 0 HE ARG A 43 -4.386 -6.852 -10.085 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -6.876 -7.960 -7.892 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -5.773 -8.117 -6.522 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -2.976 -7.057 -8.332 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -3.584 -7.610 -6.769 1.00 1.00 H new ATOM 713 N VAL A 44 -7.131 -2.060 -8.871 1.00 1.00 N ATOM 714 CA VAL A 44 -7.329 -1.426 -7.535 1.00 1.00 C ATOM 715 C VAL A 44 -8.558 -0.515 -7.575 1.00 1.00 C ATOM 716 O VAL A 44 -9.488 -0.682 -6.811 1.00 1.00 O ATOM 717 CB VAL A 44 -6.090 -0.603 -7.174 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.368 0.217 -5.910 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.908 -1.544 -6.919 1.00 1.00 C ATOM 0 H VAL A 44 -6.379 -1.662 -9.434 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.481 -2.201 -6.784 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.851 0.069 -7.998 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.485 0.802 -5.654 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.208 0.888 -6.089 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.609 -0.455 -5.086 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -4.025 -0.958 -6.662 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -5.149 -2.217 -6.096 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.707 -2.127 -7.817 1.00 1.00 H new ATOM 729 N LYS A 45 -8.575 0.443 -8.461 1.00 1.00 N ATOM 730 CA LYS A 45 -9.751 1.353 -8.546 1.00 1.00 C ATOM 731 C LYS A 45 -10.968 0.546 -8.997 1.00 1.00 C ATOM 732 O LYS A 45 -12.100 0.945 -8.807 1.00 1.00 O ATOM 733 CB LYS A 45 -9.468 2.464 -9.560 1.00 1.00 C ATOM 734 CG LYS A 45 -9.299 1.852 -10.951 1.00 1.00 C ATOM 735 CD LYS A 45 -8.700 2.892 -11.901 1.00 1.00 C ATOM 736 CE LYS A 45 -9.604 4.126 -11.949 1.00 1.00 C ATOM 737 NZ LYS A 45 -11.031 3.698 -11.994 1.00 1.00 N ATOM 0 H LYS A 45 -7.827 0.634 -9.128 1.00 1.00 H new ATOM 0 HA LYS A 45 -9.944 1.800 -7.571 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.286 3.184 -9.565 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.566 3.008 -9.278 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.651 0.977 -10.898 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.263 1.512 -11.329 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.702 3.173 -11.566 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.593 2.468 -12.900 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.429 4.752 -11.074 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.367 4.729 -12.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -11.606 4.451 -12.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -11.116 2.831 -12.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.369 3.513 -11.028 1.00 1.00 H new ATOM 751 N ALA A 46 -10.738 -0.590 -9.595 1.00 1.00 N ATOM 752 CA ALA A 46 -11.867 -1.437 -10.066 1.00 1.00 C ATOM 753 C ALA A 46 -12.567 -2.068 -8.859 1.00 1.00 C ATOM 754 O ALA A 46 -13.778 -2.079 -8.766 1.00 1.00 O ATOM 755 CB ALA A 46 -11.320 -2.541 -10.973 1.00 1.00 C ATOM 0 H ALA A 46 -9.809 -0.970 -9.778 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.580 -0.826 -10.620 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -12.142 -3.166 -11.322 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.816 -2.092 -11.829 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.611 -3.153 -10.415 1.00 1.00 H new ATOM 761 N LEU A 47 -11.811 -2.595 -7.935 1.00 1.00 N ATOM 762 CA LEU A 47 -12.423 -3.228 -6.736 1.00 1.00 C ATOM 763 C LEU A 47 -13.267 -2.194 -5.983 1.00 1.00 C ATOM 764 O LEU A 47 -13.865 -2.493 -4.968 1.00 1.00 O ATOM 765 CB LEU A 47 -11.305 -3.757 -5.822 1.00 1.00 C ATOM 766 CG LEU A 47 -11.594 -5.209 -5.423 1.00 1.00 C ATOM 767 CD1 LEU A 47 -11.178 -6.149 -6.556 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.803 -5.559 -4.159 1.00 1.00 C ATOM 0 H LEU A 47 -10.791 -2.614 -7.961 1.00 1.00 H new ATOM 0 HA LEU A 47 -13.065 -4.054 -7.042 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -10.346 -3.697 -6.336 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -11.229 -3.135 -4.930 1.00 1.00 H new ATOM 0 HG LEU A 47 -12.661 -5.323 -5.231 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -11.385 -7.180 -6.268 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -11.740 -5.904 -7.457 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -10.112 -6.034 -6.751 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -11.008 -6.591 -3.875 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -9.737 -5.441 -4.353 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.100 -4.894 -3.348 1.00 1.00 H new ATOM 780 N CYS A 48 -13.324 -0.981 -6.471 1.00 1.00 N ATOM 781 CA CYS A 48 -14.133 0.071 -5.787 1.00 1.00 C ATOM 782 C CYS A 48 -15.321 0.435 -6.676 1.00 1.00 C ATOM 783 O CYS A 48 -15.954 1.455 -6.502 1.00 1.00 O ATOM 784 CB CYS A 48 -13.264 1.314 -5.551 1.00 1.00 C ATOM 785 SG CYS A 48 -12.437 1.177 -3.948 1.00 1.00 S ATOM 0 H CYS A 48 -12.843 -0.674 -7.316 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.491 -0.301 -4.827 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.525 1.410 -6.346 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.881 2.212 -5.578 1.00 1.00 H new ATOM 790 N LYS A 49 -15.623 -0.395 -7.635 1.00 1.00 N ATOM 791 CA LYS A 49 -16.764 -0.099 -8.544 1.00 1.00 C ATOM 792 C LYS A 49 -18.061 -0.651 -7.943 1.00 1.00 C ATOM 793 O LYS A 49 -18.086 -1.724 -7.374 1.00 1.00 O ATOM 794 CB LYS A 49 -16.498 -0.749 -9.905 1.00 1.00 C ATOM 795 CG LYS A 49 -16.758 -2.256 -9.825 1.00 1.00 C ATOM 796 CD LYS A 49 -16.133 -2.948 -11.038 1.00 1.00 C ATOM 797 CE LYS A 49 -16.752 -2.394 -12.322 1.00 1.00 C ATOM 798 NZ LYS A 49 -16.459 -3.316 -13.454 1.00 1.00 N ATOM 0 H LYS A 49 -15.128 -1.266 -7.828 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.867 0.979 -8.669 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -17.140 -0.301 -10.663 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -15.468 -0.565 -10.210 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -16.336 -2.660 -8.905 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -17.830 -2.450 -9.795 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.055 -2.789 -11.044 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -16.296 -4.024 -10.979 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -17.829 -2.282 -12.200 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -16.351 -1.403 -12.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -16.880 -2.939 -14.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.430 -3.401 -13.575 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -16.862 -4.253 -13.252 1.00 1.00 H new ATOM 812 N ASN A 50 -19.139 0.079 -8.069 1.00 1.00 N ATOM 813 CA ASN A 50 -20.443 -0.392 -7.514 1.00 1.00 C ATOM 814 C ASN A 50 -20.454 -0.218 -5.991 1.00 1.00 C ATOM 815 O ASN A 50 -21.450 -0.463 -5.340 1.00 1.00 O ATOM 816 CB ASN A 50 -20.650 -1.873 -7.867 1.00 1.00 C ATOM 817 CG ASN A 50 -22.147 -2.169 -7.988 1.00 1.00 C ATOM 818 OD1 ASN A 50 -22.539 -3.139 -8.606 1.00 1.00 O ATOM 819 ND2 ASN A 50 -23.006 -1.369 -7.417 1.00 1.00 N ATOM 0 H ASN A 50 -19.172 0.986 -8.535 1.00 1.00 H new ATOM 0 HA ASN A 50 -21.250 0.199 -7.947 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -20.146 -2.107 -8.805 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -20.205 -2.506 -7.099 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -24.006 -1.558 -7.490 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -22.678 -0.555 -6.898 1.00 1.00 H new ATOM 826 N ILE A 51 -19.360 0.201 -5.417 1.00 1.00 N ATOM 827 CA ILE A 51 -19.322 0.385 -3.939 1.00 1.00 C ATOM 828 C ILE A 51 -20.000 1.705 -3.571 1.00 1.00 C ATOM 829 O ILE A 51 -20.377 2.483 -4.425 1.00 1.00 O ATOM 830 CB ILE A 51 -17.865 0.406 -3.464 1.00 1.00 C ATOM 831 CG1 ILE A 51 -17.193 -0.933 -3.801 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.810 0.639 -1.951 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.978 -2.094 -3.180 1.00 1.00 C ATOM 0 H ILE A 51 -18.493 0.423 -5.906 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.848 -0.439 -3.457 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.339 1.215 -3.970 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -17.139 -1.059 -4.882 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -16.169 -0.937 -3.428 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.771 0.652 -1.622 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.278 1.594 -1.713 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.342 -0.163 -1.440 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -17.490 -3.037 -3.427 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -18.009 -1.974 -2.097 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.994 -2.098 -3.574 1.00 1.00 H new ATOM 845 N ARG A 52 -20.160 1.955 -2.302 1.00 1.00 N ATOM 846 CA ARG A 52 -20.819 3.219 -1.856 1.00 1.00 C ATOM 847 C ARG A 52 -19.757 4.221 -1.394 1.00 1.00 C ATOM 848 O ARG A 52 -18.595 4.101 -1.718 1.00 1.00 O ATOM 849 CB ARG A 52 -21.767 2.914 -0.694 1.00 1.00 C ATOM 850 CG ARG A 52 -22.761 1.831 -1.117 1.00 1.00 C ATOM 851 CD ARG A 52 -23.645 1.456 0.074 1.00 1.00 C ATOM 852 NE ARG A 52 -24.662 0.457 -0.358 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.371 -0.179 0.534 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.189 0.060 1.804 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.263 -1.053 0.157 1.00 1.00 N ATOM 0 H ARG A 52 -19.862 1.336 -1.548 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.381 3.646 -2.687 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.199 2.582 0.175 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.301 3.818 -0.400 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.377 2.190 -1.942 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -22.226 0.952 -1.477 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -23.035 1.045 0.878 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -24.137 2.345 0.469 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.804 0.270 -1.351 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -24.492 0.744 2.100 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -25.743 -0.437 2.501 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.407 -1.240 -0.835 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.817 -1.550 0.855 1.00 1.00 H new ATOM 869 N ASP A 53 -20.156 5.208 -0.639 1.00 1.00 N ATOM 870 CA ASP A 53 -19.184 6.229 -0.149 1.00 1.00 C ATOM 871 C ASP A 53 -18.080 5.563 0.664 1.00 1.00 C ATOM 872 O ASP A 53 -17.707 4.430 0.432 1.00 1.00 O ATOM 873 CB ASP A 53 -19.920 7.241 0.733 1.00 1.00 C ATOM 874 CG ASP A 53 -20.411 6.550 2.006 1.00 1.00 C ATOM 875 OD1 ASP A 53 -20.493 5.332 2.003 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.696 7.249 2.964 1.00 1.00 O ATOM 0 H ASP A 53 -21.120 5.353 -0.338 1.00 1.00 H new ATOM 0 HA ASP A 53 -18.737 6.733 -1.006 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.256 8.067 0.988 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -20.764 7.667 0.190 1.00 1.00 H new ATOM 881 N ASN A 54 -17.550 6.278 1.607 1.00 1.00 N ATOM 882 CA ASN A 54 -16.451 5.725 2.448 1.00 1.00 C ATOM 883 C ASN A 54 -16.970 4.538 3.258 1.00 1.00 C ATOM 884 O ASN A 54 -17.785 4.683 4.149 1.00 1.00 O ATOM 885 CB ASN A 54 -15.950 6.811 3.404 1.00 1.00 C ATOM 886 CG ASN A 54 -17.143 7.466 4.103 1.00 1.00 C ATOM 887 OD1 ASN A 54 -17.622 6.972 5.104 1.00 1.00 O ATOM 888 ND2 ASN A 54 -17.646 8.567 3.614 1.00 1.00 N ATOM 0 H ASN A 54 -17.830 7.231 1.837 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.635 5.395 1.806 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -15.276 6.377 4.142 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.381 7.560 2.854 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -18.441 9.012 4.073 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -17.244 8.982 2.773 1.00 1.00 H new ATOM 895 N THR A 55 -16.494 3.361 2.952 1.00 1.00 N ATOM 896 CA THR A 55 -16.942 2.147 3.695 1.00 1.00 C ATOM 897 C THR A 55 -15.756 1.191 3.842 1.00 1.00 C ATOM 898 O THR A 55 -14.821 1.227 3.069 1.00 1.00 O ATOM 899 CB THR A 55 -18.075 1.458 2.919 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.585 2.353 1.941 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.198 1.059 3.880 1.00 1.00 C ATOM 0 H THR A 55 -15.810 3.187 2.215 1.00 1.00 H new ATOM 0 HA THR A 55 -17.309 2.429 4.682 1.00 1.00 H new ATOM 0 HB THR A 55 -17.686 0.563 2.433 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.307 1.916 1.443 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.998 0.571 3.323 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.807 0.372 4.631 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.590 1.949 4.372 1.00 1.00 H new ATOM 909 N ASP A 56 -15.785 0.339 4.827 1.00 1.00 N ATOM 910 CA ASP A 56 -14.653 -0.612 5.026 1.00 1.00 C ATOM 911 C ASP A 56 -14.793 -1.798 4.069 1.00 1.00 C ATOM 912 O ASP A 56 -15.823 -2.441 4.008 1.00 1.00 O ATOM 913 CB ASP A 56 -14.664 -1.120 6.469 1.00 1.00 C ATOM 914 CG ASP A 56 -16.055 -1.659 6.811 1.00 1.00 C ATOM 915 OD1 ASP A 56 -16.916 -1.608 5.948 1.00 1.00 O ATOM 916 OD2 ASP A 56 -16.234 -2.114 7.929 1.00 1.00 O ATOM 0 H ASP A 56 -16.543 0.259 5.504 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.714 -0.098 4.824 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.918 -1.904 6.595 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.397 -0.313 7.152 1.00 1.00 H new ATOM 921 N VAL A 57 -13.757 -2.098 3.328 1.00 1.00 N ATOM 922 CA VAL A 57 -13.810 -3.249 2.377 1.00 1.00 C ATOM 923 C VAL A 57 -12.694 -4.238 2.729 1.00 1.00 C ATOM 924 O VAL A 57 -11.809 -3.935 3.502 1.00 1.00 O ATOM 925 CB VAL A 57 -13.629 -2.743 0.942 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.459 -1.473 0.742 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.152 -2.429 0.683 1.00 1.00 C ATOM 0 H VAL A 57 -12.871 -1.592 3.341 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.776 -3.748 2.454 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.961 -3.513 0.246 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -14.331 -1.112 -0.278 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.511 -1.694 0.919 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -14.126 -0.707 1.442 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.030 -2.070 -0.339 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.816 -1.661 1.380 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.558 -3.332 0.823 1.00 1.00 H new ATOM 937 N LEU A 58 -12.740 -5.420 2.173 1.00 1.00 N ATOM 938 CA LEU A 58 -11.695 -6.447 2.477 1.00 1.00 C ATOM 939 C LEU A 58 -11.187 -7.052 1.163 1.00 1.00 C ATOM 940 O LEU A 58 -11.959 -7.340 0.269 1.00 1.00 O ATOM 941 CB LEU A 58 -12.336 -7.548 3.347 1.00 1.00 C ATOM 942 CG LEU A 58 -11.492 -7.831 4.599 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.158 -8.459 4.191 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.240 -6.532 5.382 1.00 1.00 C ATOM 0 H LEU A 58 -13.460 -5.722 1.517 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.857 -5.995 3.008 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.339 -7.242 3.643 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.441 -8.462 2.762 1.00 1.00 H new ATOM 0 HG LEU A 58 -12.037 -8.524 5.240 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.562 -8.658 5.082 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.343 -9.394 3.661 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.617 -7.773 3.539 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.641 -6.750 6.266 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.707 -5.823 4.748 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.193 -6.101 5.688 1.00 1.00 H new ATOM 956 N SER A 59 -9.898 -7.252 1.028 1.00 1.00 N ATOM 957 CA SER A 59 -9.382 -7.840 -0.242 1.00 1.00 C ATOM 958 C SER A 59 -10.104 -9.163 -0.517 1.00 1.00 C ATOM 959 O SER A 59 -10.826 -9.670 0.318 1.00 1.00 O ATOM 960 CB SER A 59 -7.866 -8.054 -0.145 1.00 1.00 C ATOM 961 OG SER A 59 -7.223 -7.287 -1.153 1.00 1.00 O ATOM 0 H SER A 59 -9.192 -7.036 1.732 1.00 1.00 H new ATOM 0 HA SER A 59 -9.574 -7.156 -1.068 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.507 -7.757 0.840 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.627 -9.110 -0.266 1.00 1.00 H new ATOM 0 HG SER A 59 -6.724 -7.883 -1.750 1.00 1.00 H new ATOM 967 N ARG A 60 -9.931 -9.715 -1.686 1.00 1.00 N ATOM 968 CA ARG A 60 -10.625 -10.990 -2.023 1.00 1.00 C ATOM 969 C ARG A 60 -10.078 -12.127 -1.162 1.00 1.00 C ATOM 970 O ARG A 60 -10.822 -12.870 -0.554 1.00 1.00 O ATOM 971 CB ARG A 60 -10.399 -11.316 -3.500 1.00 1.00 C ATOM 972 CG ARG A 60 -11.343 -12.442 -3.927 1.00 1.00 C ATOM 973 CD ARG A 60 -11.017 -12.867 -5.360 1.00 1.00 C ATOM 974 NE ARG A 60 -10.778 -11.655 -6.194 1.00 1.00 N ATOM 975 CZ ARG A 60 -10.109 -11.753 -7.311 1.00 1.00 C ATOM 976 NH1 ARG A 60 -9.651 -12.912 -7.698 1.00 1.00 N ATOM 977 NH2 ARG A 60 -9.900 -10.692 -8.040 1.00 1.00 N ATOM 0 H ARG A 60 -9.337 -9.337 -2.424 1.00 1.00 H new ATOM 0 HA ARG A 60 -11.692 -10.878 -1.830 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -10.575 -10.430 -4.110 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -9.363 -11.615 -3.663 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -11.241 -13.292 -3.252 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -12.378 -12.107 -3.863 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -10.135 -13.508 -5.369 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -11.839 -13.450 -5.774 1.00 1.00 H new ATOM 0 HE ARG A 60 -11.137 -10.749 -5.892 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -9.816 -13.742 -7.128 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -9.128 -12.988 -8.571 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -10.259 -9.786 -7.737 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -9.377 -10.768 -8.913 1.00 1.00 H new ATOM 991 N ASP A 61 -8.785 -12.277 -1.113 1.00 1.00 N ATOM 992 CA ASP A 61 -8.198 -13.379 -0.296 1.00 1.00 C ATOM 993 C ASP A 61 -6.843 -12.945 0.261 1.00 1.00 C ATOM 994 O ASP A 61 -6.665 -12.823 1.456 1.00 1.00 O ATOM 995 CB ASP A 61 -8.012 -14.619 -1.174 1.00 1.00 C ATOM 996 CG ASP A 61 -9.318 -14.923 -1.912 1.00 1.00 C ATOM 997 OD1 ASP A 61 -10.314 -15.150 -1.245 1.00 1.00 O ATOM 998 OD2 ASP A 61 -9.298 -14.922 -3.131 1.00 1.00 O ATOM 0 H ASP A 61 -8.110 -11.688 -1.600 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.870 -13.611 0.530 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.207 -14.453 -1.890 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.722 -15.472 -0.560 1.00 1.00 H new ATOM 1003 N ALA A 62 -5.883 -12.714 -0.593 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.540 -12.291 -0.104 1.00 1.00 C ATOM 1005 C ALA A 62 -3.911 -11.316 -1.100 1.00 1.00 C ATOM 1006 O ALA A 62 -4.295 -11.250 -2.250 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.640 -13.520 0.048 1.00 1.00 C ATOM 0 H ALA A 62 -5.970 -12.800 -1.606 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.648 -11.798 0.862 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.658 -13.210 0.406 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.085 -14.211 0.764 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.535 -14.016 -0.917 1.00 1.00 H new ATOM 1013 N PHE A 63 -2.942 -10.559 -0.662 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.278 -9.585 -1.574 1.00 1.00 C ATOM 1015 C PHE A 63 -0.815 -9.430 -1.156 1.00 1.00 C ATOM 1016 O PHE A 63 -0.508 -9.240 0.003 1.00 1.00 O ATOM 1017 CB PHE A 63 -2.991 -8.229 -1.481 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.105 -8.166 -2.500 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.341 -8.764 -2.225 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -3.900 -7.510 -3.719 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.372 -8.705 -3.171 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -4.932 -7.452 -4.665 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.168 -8.050 -4.390 1.00 1.00 C ATOM 0 H PHE A 63 -2.581 -10.573 0.292 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.329 -9.945 -2.602 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.394 -8.088 -0.478 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.280 -7.421 -1.655 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.499 -9.270 -1.284 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -2.947 -7.049 -3.931 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.326 -9.166 -2.959 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -4.774 -6.946 -5.606 1.00 1.00 H new ATOM 0 HZ PHE A 63 -6.964 -8.005 -5.119 1.00 1.00 H new ATOM 1033 N LEU A 64 0.088 -9.510 -2.094 1.00 1.00 N ATOM 1034 CA LEU A 64 1.532 -9.371 -1.756 1.00 1.00 C ATOM 1035 C LEU A 64 1.866 -7.891 -1.575 1.00 1.00 C ATOM 1036 O LEU A 64 1.843 -7.124 -2.517 1.00 1.00 O ATOM 1037 CB LEU A 64 2.373 -9.945 -2.900 1.00 1.00 C ATOM 1038 CG LEU A 64 3.828 -10.122 -2.446 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.573 -10.984 -3.468 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.515 -8.752 -2.335 1.00 1.00 C ATOM 0 H LEU A 64 -0.113 -9.666 -3.082 1.00 1.00 H new ATOM 0 HA LEU A 64 1.749 -9.910 -0.834 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.963 -10.904 -3.217 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.331 -9.279 -3.762 1.00 1.00 H new ATOM 0 HG LEU A 64 3.844 -10.608 -1.470 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.608 -11.113 -3.150 1.00 1.00 H new ATOM 0 HD12 LEU A 64 4.092 -11.959 -3.541 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.551 -10.495 -4.442 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.547 -8.888 -2.012 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.501 -8.258 -3.307 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.985 -8.137 -1.607 1.00 1.00 H new ATOM 1052 N LEU A 65 2.178 -7.478 -0.373 1.00 1.00 N ATOM 1053 CA LEU A 65 2.516 -6.042 -0.148 1.00 1.00 C ATOM 1054 C LEU A 65 3.947 -5.915 0.394 1.00 1.00 C ATOM 1055 O LEU A 65 4.268 -6.464 1.430 1.00 1.00 O ATOM 1056 CB LEU A 65 1.559 -5.403 0.875 1.00 1.00 C ATOM 1057 CG LEU A 65 0.554 -6.417 1.411 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.011 -5.889 2.738 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.594 -6.566 0.406 1.00 1.00 C ATOM 0 H LEU A 65 2.213 -8.070 0.457 1.00 1.00 H new ATOM 0 HA LEU A 65 2.423 -5.529 -1.105 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.134 -4.987 1.702 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.027 -4.574 0.408 1.00 1.00 H new ATOM 0 HG LEU A 65 1.027 -7.388 1.558 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.712 -6.597 3.143 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.832 -5.765 3.444 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.476 -4.927 2.575 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.316 -7.290 0.783 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.084 -5.602 0.268 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.199 -6.912 -0.549 1.00 1.00 H new ATOM 1071 N PRO A 66 4.792 -5.166 -0.272 1.00 1.00 N ATOM 1072 CA PRO A 66 6.185 -4.941 0.194 1.00 1.00 C ATOM 1073 C PRO A 66 6.193 -3.968 1.373 1.00 1.00 C ATOM 1074 O PRO A 66 5.348 -3.099 1.463 1.00 1.00 O ATOM 1075 CB PRO A 66 6.897 -4.344 -1.020 1.00 1.00 C ATOM 1076 CG PRO A 66 5.822 -3.743 -1.868 1.00 1.00 C ATOM 1077 CD PRO A 66 4.515 -4.461 -1.532 1.00 1.00 C ATOM 0 HA PRO A 66 6.670 -5.852 0.544 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.623 -3.590 -0.716 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.445 -5.111 -1.568 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.733 -2.674 -1.673 1.00 1.00 H new ATOM 0 HG3 PRO A 66 6.060 -3.856 -2.926 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.693 -3.755 -1.418 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.231 -5.157 -2.321 1.00 1.00 H new ATOM 1085 N GLN A 67 7.111 -4.102 2.288 1.00 1.00 N ATOM 1086 CA GLN A 67 7.120 -3.169 3.450 1.00 1.00 C ATOM 1087 C GLN A 67 8.555 -2.896 3.900 1.00 1.00 C ATOM 1088 O GLN A 67 9.419 -3.743 3.804 1.00 1.00 O ATOM 1089 CB GLN A 67 6.333 -3.790 4.612 1.00 1.00 C ATOM 1090 CG GLN A 67 5.155 -4.599 4.065 1.00 1.00 C ATOM 1091 CD GLN A 67 4.329 -5.149 5.230 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.077 -4.452 6.192 1.00 1.00 O ATOM 1093 NE2 GLN A 67 3.894 -6.378 5.182 1.00 1.00 N ATOM 0 H GLN A 67 7.847 -4.808 2.284 1.00 1.00 H new ATOM 0 HA GLN A 67 6.657 -2.229 3.150 1.00 1.00 H new ATOM 0 HB2 GLN A 67 6.985 -4.433 5.202 1.00 1.00 H new ATOM 0 HB3 GLN A 67 5.970 -3.007 5.278 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.532 -3.970 3.429 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.519 -5.418 3.445 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.106 -6.963 4.374 1.00 1.00 H new ATOM 0 HE22 GLN A 67 3.342 -6.754 5.953 1.00 1.00 H new ATOM 1102 N CYS A 68 8.808 -1.713 4.397 1.00 1.00 N ATOM 1103 CA CYS A 68 10.186 -1.373 4.865 1.00 1.00 C ATOM 1104 C CYS A 68 10.238 -1.433 6.392 1.00 1.00 C ATOM 1105 O CYS A 68 9.322 -1.010 7.069 1.00 1.00 O ATOM 1106 CB CYS A 68 10.542 0.038 4.401 1.00 1.00 C ATOM 1107 SG CYS A 68 10.342 0.140 2.607 1.00 1.00 S ATOM 0 H CYS A 68 8.120 -0.967 4.499 1.00 1.00 H new ATOM 0 HA CYS A 68 10.898 -2.087 4.450 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.900 0.769 4.893 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.568 0.277 4.679 1.00 1.00 H new ATOM 1112 N ASP A 69 11.301 -1.962 6.941 1.00 1.00 N ATOM 1113 CA ASP A 69 11.409 -2.055 8.429 1.00 1.00 C ATOM 1114 C ASP A 69 12.809 -1.625 8.881 1.00 1.00 C ATOM 1115 O ASP A 69 13.800 -2.237 8.534 1.00 1.00 O ATOM 1116 CB ASP A 69 11.156 -3.503 8.856 1.00 1.00 C ATOM 1117 CG ASP A 69 9.650 -3.776 8.885 1.00 1.00 C ATOM 1118 OD1 ASP A 69 8.925 -2.929 9.378 1.00 1.00 O ATOM 1119 OD2 ASP A 69 9.249 -4.827 8.413 1.00 1.00 O ATOM 0 H ASP A 69 12.098 -2.333 6.425 1.00 1.00 H new ATOM 0 HA ASP A 69 10.672 -1.397 8.889 1.00 1.00 H new ATOM 0 HB2 ASP A 69 11.646 -4.188 8.164 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.587 -3.683 9.841 1.00 1.00 H new ATOM 1124 N ARG A 70 12.897 -0.578 9.663 1.00 1.00 N ATOM 1125 CA ARG A 70 14.229 -0.113 10.146 1.00 1.00 C ATOM 1126 C ARG A 70 14.788 -1.121 11.153 1.00 1.00 C ATOM 1127 O ARG A 70 14.076 -1.630 11.996 1.00 1.00 O ATOM 1128 CB ARG A 70 14.077 1.251 10.825 1.00 1.00 C ATOM 1129 CG ARG A 70 15.448 1.919 10.949 1.00 1.00 C ATOM 1130 CD ARG A 70 15.371 3.062 11.964 1.00 1.00 C ATOM 1131 NE ARG A 70 15.298 2.499 13.342 1.00 1.00 N ATOM 1132 CZ ARG A 70 15.022 3.278 14.351 1.00 1.00 C ATOM 1133 NH1 ARG A 70 14.807 4.551 14.154 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.960 2.785 15.558 1.00 1.00 N ATOM 0 H ARG A 70 12.102 -0.026 9.987 1.00 1.00 H new ATOM 0 HA ARG A 70 14.911 -0.026 9.300 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.404 1.884 10.246 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.630 1.129 11.812 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.193 1.188 11.264 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.767 2.301 9.979 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.245 3.707 11.869 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.496 3.680 11.766 1.00 1.00 H new ATOM 0 HE ARG A 70 15.464 1.504 13.496 1.00 1.00 H new ATOM 0 HH11 ARG A 70 14.855 4.936 13.211 1.00 1.00 H new ATOM 0 HH12 ARG A 70 14.591 5.160 14.943 1.00 1.00 H new ATOM 0 HH21 ARG A 70 15.127 1.791 15.712 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.744 3.394 16.347 1.00 1.00 H new ATOM 1148 N ILE A 71 16.061 -1.413 11.073 1.00 1.00 N ATOM 1149 CA ILE A 71 16.669 -2.387 12.027 1.00 1.00 C ATOM 1150 C ILE A 71 18.068 -1.907 12.423 1.00 1.00 C ATOM 1151 O ILE A 71 18.496 -2.077 13.547 1.00 1.00 O ATOM 1152 CB ILE A 71 16.771 -3.765 11.362 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.363 -4.334 11.151 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.574 -4.708 12.264 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.447 -5.650 10.374 1.00 1.00 C ATOM 0 H ILE A 71 16.705 -1.019 10.388 1.00 1.00 H new ATOM 0 HA ILE A 71 16.043 -2.461 12.916 1.00 1.00 H new ATOM 0 HB ILE A 71 17.273 -3.669 10.399 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.880 -4.500 12.114 1.00 1.00 H new ATOM 0 HG13 ILE A 71 14.749 -3.617 10.605 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.647 -5.688 11.792 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.574 -4.303 12.415 1.00 1.00 H new ATOM 0 HG23 ILE A 71 17.072 -4.805 13.227 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.444 -6.050 10.227 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.912 -5.471 9.405 1.00 1.00 H new ATOM 0 HD13 ILE A 71 16.045 -6.367 10.937 1.00 1.00 H new ATOM 1167 N LYS A 72 18.788 -1.315 11.507 1.00 1.00 N ATOM 1168 CA LYS A 72 20.162 -0.833 11.835 1.00 1.00 C ATOM 1169 C LYS A 72 20.472 0.432 11.030 1.00 1.00 C ATOM 1170 O LYS A 72 19.705 0.850 10.187 1.00 1.00 O ATOM 1171 CB LYS A 72 21.178 -1.926 11.489 1.00 1.00 C ATOM 1172 CG LYS A 72 20.736 -2.654 10.219 1.00 1.00 C ATOM 1173 CD LYS A 72 21.831 -3.629 9.780 1.00 1.00 C ATOM 1174 CE LYS A 72 21.260 -4.614 8.757 1.00 1.00 C ATOM 1175 NZ LYS A 72 20.441 -3.872 7.757 1.00 1.00 N ATOM 0 H LYS A 72 18.485 -1.145 10.548 1.00 1.00 H new ATOM 0 HA LYS A 72 20.222 -0.603 12.899 1.00 1.00 H new ATOM 0 HB2 LYS A 72 22.165 -1.486 11.344 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.262 -2.633 12.315 1.00 1.00 H new ATOM 0 HG2 LYS A 72 19.806 -3.193 10.401 1.00 1.00 H new ATOM 0 HG3 LYS A 72 20.536 -1.934 9.425 1.00 1.00 H new ATOM 0 HD2 LYS A 72 22.667 -3.081 9.345 1.00 1.00 H new ATOM 0 HD3 LYS A 72 22.219 -4.170 10.644 1.00 1.00 H new ATOM 0 HE2 LYS A 72 22.070 -5.146 8.257 1.00 1.00 H new ATOM 0 HE3 LYS A 72 20.649 -5.363 9.260 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 20.449 -4.385 6.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 19.463 -3.791 8.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 20.839 -2.921 7.619 1.00 1.00 H new ATOM 1189 N LEU A 73 21.595 1.048 11.292 1.00 1.00 N ATOM 1190 CA LEU A 73 21.964 2.289 10.553 1.00 1.00 C ATOM 1191 C LEU A 73 20.886 3.355 10.807 1.00 1.00 C ATOM 1192 O LEU A 73 19.889 3.079 11.446 1.00 1.00 O ATOM 1193 CB LEU A 73 22.068 1.975 9.054 1.00 1.00 C ATOM 1194 CG LEU A 73 22.741 0.612 8.854 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.045 0.407 7.370 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.050 0.565 9.650 1.00 1.00 C ATOM 0 H LEU A 73 22.274 0.743 11.989 1.00 1.00 H new ATOM 0 HA LEU A 73 22.927 2.665 10.898 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.075 1.970 8.604 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.642 2.752 8.549 1.00 1.00 H new ATOM 0 HG LEU A 73 22.073 -0.176 9.203 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.524 -0.562 7.227 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.116 0.441 6.800 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.712 1.196 7.023 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.528 -0.404 9.507 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.717 1.353 9.301 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.837 0.712 10.709 1.00 1.00 H new ATOM 1208 N PRO A 74 21.075 4.564 10.330 1.00 1.00 N ATOM 1209 CA PRO A 74 20.102 5.664 10.531 1.00 1.00 C ATOM 1210 C PRO A 74 19.081 5.767 9.393 1.00 1.00 C ATOM 1211 O PRO A 74 17.943 6.137 9.606 1.00 1.00 O ATOM 1212 CB PRO A 74 20.998 6.905 10.570 1.00 1.00 C ATOM 1213 CG PRO A 74 22.210 6.561 9.746 1.00 1.00 C ATOM 1214 CD PRO A 74 22.228 5.034 9.551 1.00 1.00 C ATOM 0 HA PRO A 74 19.498 5.522 11.427 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.481 7.774 10.162 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.278 7.153 11.594 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.173 7.069 8.782 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.119 6.893 10.247 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.136 4.765 8.499 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.159 4.596 9.912 1.00 1.00 H new ATOM 1222 N CYS A 75 19.475 5.447 8.189 1.00 1.00 N ATOM 1223 CA CYS A 75 18.523 5.535 7.042 1.00 1.00 C ATOM 1224 C CYS A 75 18.593 4.251 6.212 1.00 1.00 C ATOM 1225 O CYS A 75 18.868 4.277 5.029 1.00 1.00 O ATOM 1226 CB CYS A 75 18.890 6.735 6.166 1.00 1.00 C ATOM 1227 SG CYS A 75 17.457 7.218 5.169 1.00 1.00 S ATOM 0 H CYS A 75 20.414 5.129 7.950 1.00 1.00 H new ATOM 0 HA CYS A 75 17.509 5.660 7.423 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.210 7.570 6.790 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.729 6.482 5.517 1.00 1.00 H new ATOM 1232 N HIS A 76 18.332 3.128 6.824 1.00 1.00 N ATOM 1233 CA HIS A 76 18.367 1.835 6.082 1.00 1.00 C ATOM 1234 C HIS A 76 17.239 0.945 6.603 1.00 1.00 C ATOM 1235 O HIS A 76 16.910 0.977 7.773 1.00 1.00 O ATOM 1236 CB HIS A 76 19.716 1.146 6.309 1.00 1.00 C ATOM 1237 CG HIS A 76 19.952 0.130 5.224 1.00 1.00 C ATOM 1238 ND1 HIS A 76 19.809 0.438 3.878 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.323 -1.192 5.270 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.090 -0.675 3.175 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.408 -1.693 3.976 1.00 1.00 N ATOM 0 H HIS A 76 18.094 3.050 7.813 1.00 1.00 H new ATOM 0 HA HIS A 76 18.238 2.014 5.014 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.518 1.885 6.310 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.728 0.661 7.285 1.00 1.00 H new ATOM 0 HD2 HIS A 76 20.518 -1.754 6.171 1.00 1.00 H new ATOM 0 HE1 HIS A 76 20.062 -0.736 2.097 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.661 -2.641 3.697 1.00 1.00 H new ATOM 1250 N TYR A 77 16.632 0.162 5.752 1.00 1.00 N ATOM 1251 CA TYR A 77 15.515 -0.713 6.217 1.00 1.00 C ATOM 1252 C TYR A 77 15.647 -2.107 5.606 1.00 1.00 C ATOM 1253 O TYR A 77 16.457 -2.343 4.732 1.00 1.00 O ATOM 1254 CB TYR A 77 14.174 -0.099 5.793 1.00 1.00 C ATOM 1255 CG TYR A 77 14.311 1.402 5.697 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.007 1.972 4.625 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.741 2.222 6.677 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.132 3.363 4.533 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.866 3.612 6.585 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.561 4.182 5.513 1.00 1.00 C ATOM 1261 OH TYR A 77 14.683 5.554 5.422 1.00 1.00 O ATOM 0 H TYR A 77 16.859 0.090 4.760 1.00 1.00 H new ATOM 0 HA TYR A 77 15.558 -0.794 7.303 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.863 -0.508 4.832 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.400 -0.358 6.515 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.447 1.339 3.869 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.205 1.782 7.504 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.669 3.804 3.706 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.426 4.245 7.341 1.00 1.00 H new ATOM 0 HH TYR A 77 15.506 5.840 5.872 1.00 1.00 H new ATOM 1271 N LYS A 78 14.840 -3.026 6.062 1.00 1.00 N ATOM 1272 CA LYS A 78 14.886 -4.412 5.519 1.00 1.00 C ATOM 1273 C LYS A 78 13.654 -4.632 4.643 1.00 1.00 C ATOM 1274 O LYS A 78 12.615 -4.035 4.858 1.00 1.00 O ATOM 1275 CB LYS A 78 14.881 -5.414 6.679 1.00 1.00 C ATOM 1276 CG LYS A 78 14.980 -6.850 6.136 1.00 1.00 C ATOM 1277 CD LYS A 78 13.602 -7.518 6.179 1.00 1.00 C ATOM 1278 CE LYS A 78 13.695 -8.920 5.571 1.00 1.00 C ATOM 1279 NZ LYS A 78 12.345 -9.549 5.565 1.00 1.00 N ATOM 0 H LYS A 78 14.146 -2.874 6.793 1.00 1.00 H new ATOM 0 HA LYS A 78 15.791 -4.555 4.929 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.717 -5.211 7.349 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.969 -5.300 7.265 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.356 -6.836 5.113 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.691 -7.425 6.729 1.00 1.00 H new ATOM 0 HD2 LYS A 78 13.248 -7.579 7.208 1.00 1.00 H new ATOM 0 HD3 LYS A 78 12.878 -6.918 5.628 1.00 1.00 H new ATOM 0 HE2 LYS A 78 14.086 -8.862 4.555 1.00 1.00 H new ATOM 0 HE3 LYS A 78 14.390 -9.532 6.146 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 12.440 -10.573 5.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 11.877 -9.376 6.478 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 11.774 -9.137 4.800 1.00 1.00 H new ATOM 1293 N LEU A 79 13.765 -5.469 3.647 1.00 1.00 N ATOM 1294 CA LEU A 79 12.606 -5.717 2.744 1.00 1.00 C ATOM 1295 C LEU A 79 11.788 -6.901 3.266 1.00 1.00 C ATOM 1296 O LEU A 79 12.254 -8.023 3.303 1.00 1.00 O ATOM 1297 CB LEU A 79 13.125 -6.027 1.335 1.00 1.00 C ATOM 1298 CG LEU A 79 12.117 -5.543 0.290 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.666 -5.814 -1.111 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.793 -6.290 0.475 1.00 1.00 C ATOM 0 H LEU A 79 14.610 -5.992 3.420 1.00 1.00 H new ATOM 0 HA LEU A 79 11.970 -4.832 2.713 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.087 -5.540 1.177 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.288 -7.099 1.226 1.00 1.00 H new ATOM 0 HG LEU A 79 11.950 -4.473 0.413 1.00 1.00 H new ATOM 0 HD11 LEU A 79 11.949 -5.470 -1.856 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.608 -5.282 -1.242 1.00 1.00 H new ATOM 0 HD13 LEU A 79 12.833 -6.884 -1.236 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.074 -5.946 -0.269 1.00 1.00 H new ATOM 0 HD22 LEU A 79 10.959 -7.360 0.352 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.402 -6.096 1.474 1.00 1.00 H new ATOM 1312 N SER A 80 10.568 -6.657 3.664 1.00 1.00 N ATOM 1313 CA SER A 80 9.706 -7.758 4.181 1.00 1.00 C ATOM 1314 C SER A 80 8.337 -7.677 3.503 1.00 1.00 C ATOM 1315 O SER A 80 7.719 -6.632 3.458 1.00 1.00 O ATOM 1316 CB SER A 80 9.539 -7.605 5.693 1.00 1.00 C ATOM 1317 OG SER A 80 8.348 -8.265 6.103 1.00 1.00 O ATOM 0 H SER A 80 10.129 -5.736 3.653 1.00 1.00 H new ATOM 0 HA SER A 80 10.167 -8.722 3.966 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.400 -8.029 6.210 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.494 -6.549 5.961 1.00 1.00 H new ATOM 0 HG SER A 80 8.239 -8.170 7.072 1.00 1.00 H new ATOM 1323 N SER A 81 7.861 -8.768 2.967 1.00 1.00 N ATOM 1324 CA SER A 81 6.535 -8.747 2.285 1.00 1.00 C ATOM 1325 C SER A 81 5.802 -10.064 2.537 1.00 1.00 C ATOM 1326 O SER A 81 6.393 -11.057 2.912 1.00 1.00 O ATOM 1327 CB SER A 81 6.746 -8.566 0.781 1.00 1.00 C ATOM 1328 OG SER A 81 6.895 -9.841 0.170 1.00 1.00 O ATOM 0 H SER A 81 8.332 -9.672 2.972 1.00 1.00 H new ATOM 0 HA SER A 81 5.939 -7.923 2.678 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.898 -8.038 0.344 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.631 -7.956 0.597 1.00 1.00 H new ATOM 0 HG SER A 81 7.186 -9.727 -0.759 1.00 1.00 H new ATOM 1334 N SER A 82 4.514 -10.080 2.327 1.00 1.00 N ATOM 1335 CA SER A 82 3.736 -11.329 2.548 1.00 1.00 C ATOM 1336 C SER A 82 2.373 -11.197 1.878 1.00 1.00 C ATOM 1337 O SER A 82 1.950 -10.116 1.515 1.00 1.00 O ATOM 1338 CB SER A 82 3.553 -11.564 4.047 1.00 1.00 C ATOM 1339 OG SER A 82 4.827 -11.731 4.655 1.00 1.00 O ATOM 0 H SER A 82 3.967 -9.279 2.011 1.00 1.00 H new ATOM 0 HA SER A 82 4.273 -12.174 2.118 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.030 -10.721 4.498 1.00 1.00 H new ATOM 0 HB3 SER A 82 2.938 -12.448 4.216 1.00 1.00 H new ATOM 0 HG SER A 82 5.493 -11.940 3.967 1.00 1.00 H new ATOM 1345 N THR A 83 1.691 -12.293 1.694 1.00 1.00 N ATOM 1346 CA THR A 83 0.371 -12.253 1.033 1.00 1.00 C ATOM 1347 C THR A 83 -0.738 -12.392 2.079 1.00 1.00 C ATOM 1348 O THR A 83 -0.837 -13.389 2.767 1.00 1.00 O ATOM 1349 CB THR A 83 0.313 -13.413 0.044 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.279 -14.389 0.412 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.623 -12.899 -1.361 1.00 1.00 C ATOM 0 H THR A 83 2.001 -13.222 1.979 1.00 1.00 H new ATOM 0 HA THR A 83 0.229 -11.306 0.513 1.00 1.00 H new ATOM 0 HB THR A 83 -0.682 -13.857 0.057 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.245 -15.138 -0.220 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.582 -13.727 -2.069 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.111 -12.144 -1.643 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.620 -12.458 -1.376 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.573 -11.399 2.197 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.680 -11.465 3.193 1.00 1.00 C ATOM 1361 C ASN A 84 -3.766 -10.461 2.808 1.00 1.00 C ATOM 1362 O ASN A 84 -3.511 -9.493 2.119 1.00 1.00 O ATOM 1363 CB ASN A 84 -2.138 -11.124 4.582 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.351 -9.814 4.516 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -0.210 -9.797 4.097 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.915 -8.707 4.914 1.00 1.00 N ATOM 0 H ASN A 84 -1.537 -10.542 1.646 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.100 -12.471 3.206 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.960 -11.031 5.292 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.496 -11.928 4.941 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -1.399 -7.828 4.873 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -2.872 -8.720 5.266 1.00 1.00 H new ATOM 1373 N THR A 85 -4.978 -10.678 3.246 1.00 1.00 N ATOM 1374 CA THR A 85 -6.070 -9.730 2.905 1.00 1.00 C ATOM 1375 C THR A 85 -5.851 -8.432 3.684 1.00 1.00 C ATOM 1376 O THR A 85 -5.219 -8.423 4.720 1.00 1.00 O ATOM 1377 CB THR A 85 -7.419 -10.360 3.287 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.207 -11.706 3.691 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.369 -10.336 2.088 1.00 1.00 C ATOM 0 H THR A 85 -5.255 -11.471 3.824 1.00 1.00 H new ATOM 0 HA THR A 85 -6.071 -9.514 1.837 1.00 1.00 H new ATOM 0 HB THR A 85 -7.862 -9.790 4.104 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.336 -12.302 2.924 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.322 -10.785 2.370 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.532 -9.305 1.774 1.00 1.00 H new ATOM 0 HG23 THR A 85 -7.931 -10.901 1.265 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.351 -7.333 3.189 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.155 -6.036 3.896 1.00 1.00 C ATOM 1389 C ILE A 86 -7.479 -5.270 3.919 1.00 1.00 C ATOM 1390 O ILE A 86 -8.269 -5.355 2.999 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.070 -5.223 3.158 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.710 -4.104 2.321 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.286 -6.157 2.230 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -4.659 -3.473 1.408 1.00 1.00 C ATOM 0 H ILE A 86 -6.888 -7.277 2.324 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.833 -6.208 4.923 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.403 -4.775 3.895 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.528 -4.507 1.724 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.137 -3.346 2.977 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.518 -5.588 1.706 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.816 -6.945 2.819 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.966 -6.603 1.504 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -5.119 -2.681 0.817 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -3.855 -3.054 2.014 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -4.253 -4.233 0.741 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.723 -4.512 4.953 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.986 -3.730 5.020 1.00 1.00 C ATOM 1408 C CYS A 87 -8.676 -2.284 4.637 1.00 1.00 C ATOM 1409 O CYS A 87 -7.690 -1.719 5.064 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.553 -3.792 6.443 1.00 1.00 C ATOM 1411 SG CYS A 87 -11.342 -3.516 6.396 1.00 1.00 S ATOM 0 H CYS A 87 -7.101 -4.402 5.754 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.726 -4.142 4.334 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.336 -4.762 6.890 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.075 -3.039 7.069 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.492 -1.684 3.816 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.219 -0.278 3.397 1.00 1.00 C ATOM 1418 C ILE A 88 -10.549 0.458 3.214 1.00 1.00 C ATOM 1419 O ILE A 88 -11.570 -0.145 2.954 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.408 -0.286 2.080 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.987 0.719 1.071 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.441 -1.684 1.456 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.066 0.822 -0.152 1.00 1.00 C ATOM 0 H ILE A 88 -10.333 -2.103 3.418 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.636 0.238 4.160 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.382 -0.003 2.316 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.983 0.403 0.761 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.094 1.697 1.540 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.868 -1.682 0.529 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.006 -2.403 2.150 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.473 -1.964 1.244 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.483 1.536 -0.862 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.078 1.159 0.164 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.981 -0.155 -0.627 1.00 1.00 H new ATOM 1435 N THR A 89 -10.546 1.759 3.343 1.00 1.00 N ATOM 1436 CA THR A 89 -11.812 2.524 3.166 1.00 1.00 C ATOM 1437 C THR A 89 -11.849 3.098 1.747 1.00 1.00 C ATOM 1438 O THR A 89 -10.886 3.679 1.270 1.00 1.00 O ATOM 1439 CB THR A 89 -11.895 3.646 4.215 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.679 3.198 5.312 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.539 4.902 3.616 1.00 1.00 C ATOM 0 H THR A 89 -9.724 2.322 3.562 1.00 1.00 H new ATOM 0 HA THR A 89 -12.670 1.867 3.306 1.00 1.00 H new ATOM 0 HB THR A 89 -10.886 3.894 4.545 1.00 1.00 H new ATOM 0 HG1 THR A 89 -12.735 3.908 5.986 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.588 5.683 4.375 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.941 5.251 2.774 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.546 4.666 3.273 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.960 2.925 1.074 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.102 3.434 -0.322 1.00 1.00 C ATOM 1451 C CYS A 90 -14.328 4.348 -0.409 1.00 1.00 C ATOM 1452 O CYS A 90 -15.398 4.010 0.058 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.283 2.244 -1.266 1.00 1.00 C ATOM 1454 SG CYS A 90 -13.154 2.799 -2.981 1.00 1.00 S ATOM 0 H CYS A 90 -13.784 2.447 1.439 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.213 3.998 -0.604 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.526 1.487 -1.061 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.254 1.778 -1.097 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.177 5.504 -0.999 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.326 6.448 -1.114 1.00 1.00 C ATOM 1461 C VAL A 91 -16.356 5.905 -2.106 1.00 1.00 C ATOM 1462 O VAL A 91 -16.476 4.712 -2.303 1.00 1.00 O ATOM 1463 CB VAL A 91 -14.821 7.807 -1.599 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -13.747 8.326 -0.641 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.226 7.657 -3.001 1.00 1.00 C ATOM 0 H VAL A 91 -13.303 5.836 -1.408 1.00 1.00 H new ATOM 0 HA VAL A 91 -15.796 6.557 -0.137 1.00 1.00 H new ATOM 0 HB VAL A 91 -15.650 8.514 -1.629 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -13.388 9.295 -0.988 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.171 8.432 0.358 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -12.916 7.621 -0.609 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.865 8.625 -3.349 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -13.397 6.950 -2.971 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -14.992 7.289 -3.684 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.101 6.779 -2.728 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.136 6.336 -3.707 1.00 1.00 C ATOM 1477 C ASN A 92 -17.571 5.254 -4.615 1.00 1.00 C ATOM 1478 O ASN A 92 -18.253 4.330 -5.012 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.570 7.534 -4.553 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.950 7.267 -5.158 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -20.842 8.085 -5.049 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.165 6.150 -5.795 1.00 1.00 N ATOM 0 H ASN A 92 -17.036 7.789 -2.599 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.992 5.932 -3.166 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.600 8.434 -3.938 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.844 7.714 -5.346 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.082 5.963 -6.202 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -19.417 5.463 -5.887 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.329 5.371 -4.938 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.685 4.362 -5.822 1.00 1.00 C ATOM 1491 C GLN A 93 -14.212 4.723 -6.013 1.00 1.00 C ATOM 1492 O GLN A 93 -13.703 4.738 -7.114 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.389 4.343 -7.183 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.659 5.779 -7.640 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.981 5.787 -9.135 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.746 6.768 -9.813 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -17.513 4.729 -9.682 1.00 1.00 N ATOM 0 H GLN A 93 -15.718 6.127 -4.629 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.763 3.376 -5.364 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.770 3.827 -7.917 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.326 3.791 -7.112 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.491 6.201 -7.076 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.789 6.405 -7.441 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -17.710 3.905 -9.113 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -17.732 4.725 -10.678 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.528 5.014 -4.943 1.00 1.00 N ATOM 1507 CA LEU A 94 -12.085 5.382 -5.044 1.00 1.00 C ATOM 1508 C LEU A 94 -11.368 4.965 -3.744 1.00 1.00 C ATOM 1509 O LEU A 94 -11.649 5.498 -2.689 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.969 6.906 -5.232 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.214 7.228 -6.530 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.066 6.846 -7.748 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.905 8.728 -6.571 1.00 1.00 C ATOM 0 H LEU A 94 -13.907 5.013 -3.996 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.626 4.874 -5.892 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.963 7.352 -5.261 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.448 7.345 -4.382 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.286 6.657 -6.557 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.520 7.079 -8.662 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -12.285 5.779 -7.719 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.999 7.408 -7.730 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.369 8.964 -7.490 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.837 9.292 -6.539 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.289 8.996 -5.713 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.455 4.021 -3.808 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.710 3.550 -2.602 1.00 1.00 C ATOM 1527 C PRO A 95 -8.623 4.545 -2.187 1.00 1.00 C ATOM 1528 O PRO A 95 -7.786 4.918 -2.984 1.00 1.00 O ATOM 1529 CB PRO A 95 -9.088 2.227 -3.057 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.931 2.351 -4.538 1.00 1.00 C ATOM 1531 CD PRO A 95 -10.028 3.305 -5.025 1.00 1.00 C ATOM 0 HA PRO A 95 -10.356 3.444 -1.730 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -8.126 2.058 -2.573 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.728 1.383 -2.799 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.944 2.737 -4.790 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -9.025 1.377 -5.019 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.649 3.994 -5.780 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.857 2.760 -5.478 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.628 4.996 -0.955 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.587 5.981 -0.541 1.00 1.00 C ATOM 1541 C ILE A 96 -7.179 5.804 0.929 1.00 1.00 C ATOM 1542 O ILE A 96 -6.267 6.464 1.387 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.107 7.412 -0.786 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -8.787 7.982 0.468 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.109 7.416 -1.943 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -10.017 7.149 0.815 1.00 1.00 C ATOM 0 H ILE A 96 -9.296 4.729 -0.232 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.696 5.805 -1.144 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.249 8.037 -1.033 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -8.088 7.980 1.304 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -9.076 9.019 0.296 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.470 8.431 -2.108 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.622 7.053 -2.848 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.950 6.767 -1.698 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.494 7.559 1.705 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -10.720 7.174 -0.018 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.717 6.119 1.006 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.823 4.946 1.690 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.406 4.805 3.124 1.00 1.00 C ATOM 1560 C HIS A 97 -6.869 3.394 3.396 1.00 1.00 C ATOM 1561 O HIS A 97 -7.466 2.404 3.025 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.611 5.087 4.033 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.392 6.369 4.794 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.928 6.382 6.102 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -8.569 7.686 4.445 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.842 7.668 6.489 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.222 8.499 5.518 1.00 1.00 N ATOM 0 H HIS A 97 -8.597 4.353 1.391 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.611 5.521 3.332 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.519 5.160 3.435 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.753 4.261 4.729 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -8.923 8.035 3.486 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.507 7.987 7.465 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -8.252 9.518 5.555 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.743 3.307 4.059 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.150 1.974 4.382 1.00 1.00 C ATOM 1578 C PHE A 98 -5.461 1.633 5.841 1.00 1.00 C ATOM 1579 O PHE A 98 -4.819 2.118 6.752 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.630 2.026 4.189 1.00 1.00 C ATOM 1581 CG PHE A 98 -2.998 0.784 4.775 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.170 -0.452 4.141 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.242 0.868 5.950 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.587 -1.604 4.681 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.659 -0.284 6.491 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.831 -1.520 5.857 1.00 1.00 C ATOM 0 H PHE A 98 -5.206 4.108 4.392 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.572 1.216 3.723 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.391 2.101 3.128 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.223 2.915 4.671 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.753 -0.517 3.234 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.108 1.822 6.439 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.720 -2.557 4.191 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.076 -0.219 7.398 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.381 -2.409 6.274 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.442 0.808 6.072 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.793 0.443 7.472 1.00 1.00 C ATOM 1598 C ALA A 99 -5.574 -0.173 8.166 1.00 1.00 C ATOM 1599 O ALA A 99 -4.936 0.452 8.990 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.941 -0.567 7.457 1.00 1.00 C ATOM 0 H ALA A 99 -7.017 0.370 5.352 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.100 1.337 8.016 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.201 -0.837 8.480 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.808 -0.125 6.967 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.633 -1.460 6.913 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.246 -1.396 7.841 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.069 -2.049 8.485 1.00 1.00 C ATOM 1608 C GLY A 100 -3.755 -3.363 7.767 1.00 1.00 C ATOM 1609 O GLY A 100 -4.067 -3.536 6.605 1.00 1.00 O ATOM 0 H GLY A 100 -5.741 -1.970 7.159 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.205 -1.385 8.445 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.277 -2.239 9.538 1.00 1.00 H new ATOM 1613 N VAL A 101 -3.136 -4.290 8.448 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.797 -5.595 7.806 1.00 1.00 C ATOM 1615 C VAL A 101 -3.907 -6.610 8.087 1.00 1.00 C ATOM 1616 O VAL A 101 -4.675 -6.465 9.018 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.477 -6.113 8.379 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.945 -7.243 7.497 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.456 -4.974 8.416 1.00 1.00 C ATOM 0 H VAL A 101 -2.850 -4.200 9.423 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.700 -5.455 6.729 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.643 -6.488 9.389 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -0.004 -7.612 7.906 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.671 -8.055 7.469 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.780 -6.869 6.487 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.485 -5.342 8.824 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.292 -4.600 7.406 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.833 -4.167 9.045 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.998 -7.638 7.287 1.00 1.00 N ATOM 1630 CA GLY A 102 -5.059 -8.664 7.507 1.00 1.00 C ATOM 1631 C GLY A 102 -6.435 -8.003 7.410 1.00 1.00 C ATOM 1632 O GLY A 102 -6.557 -6.852 7.041 1.00 1.00 O ATOM 0 H GLY A 102 -3.384 -7.812 6.491 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.972 -9.458 6.765 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.934 -9.127 8.486 1.00 1.00 H new ATOM 1636 N SER A 103 -7.474 -8.721 7.738 1.00 1.00 N ATOM 1637 CA SER A 103 -8.840 -8.131 7.660 1.00 1.00 C ATOM 1638 C SER A 103 -9.085 -7.231 8.872 1.00 1.00 C ATOM 1639 O SER A 103 -8.464 -7.381 9.905 1.00 1.00 O ATOM 1640 CB SER A 103 -9.880 -9.253 7.640 1.00 1.00 C ATOM 1641 OG SER A 103 -10.157 -9.658 8.975 1.00 1.00 O ATOM 0 H SER A 103 -7.436 -9.689 8.056 1.00 1.00 H new ATOM 0 HA SER A 103 -8.924 -7.539 6.749 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.794 -8.910 7.155 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.509 -10.098 7.060 1.00 1.00 H new ATOM 0 HG SER A 103 -10.824 -10.376 8.967 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.989 -6.297 8.752 1.00 1.00 N ATOM 1648 CA CYS A 104 -10.279 -5.386 9.894 1.00 1.00 C ATOM 1649 C CYS A 104 -11.180 -6.111 10.903 1.00 1.00 C ATOM 1650 O CYS A 104 -11.924 -7.003 10.545 1.00 1.00 O ATOM 1651 CB CYS A 104 -10.992 -4.133 9.372 1.00 1.00 C ATOM 1652 SG CYS A 104 -12.049 -4.581 7.971 1.00 1.00 S ATOM 0 H CYS A 104 -10.540 -6.126 7.911 1.00 1.00 H new ATOM 0 HA CYS A 104 -9.348 -5.096 10.382 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -11.591 -3.685 10.165 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -10.260 -3.386 9.065 1.00 1.00 H new ATOM 1657 N PRO A 105 -11.115 -5.731 12.152 1.00 1.00 N ATOM 1658 CA PRO A 105 -11.942 -6.357 13.227 1.00 1.00 C ATOM 1659 C PRO A 105 -13.430 -6.017 13.081 1.00 1.00 C ATOM 1660 O PRO A 105 -13.793 -4.895 13.390 1.00 1.00 O ATOM 1661 CB PRO A 105 -11.375 -5.762 14.522 1.00 1.00 C ATOM 1662 CG PRO A 105 -10.749 -4.468 14.115 1.00 1.00 C ATOM 1663 CD PRO A 105 -10.249 -4.664 12.683 1.00 1.00 C ATOM 1664 OXT PRO A 105 -14.177 -6.886 12.663 1.00 1.00 O ATOM 0 HA PRO A 105 -11.892 -7.445 13.196 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -12.161 -5.604 15.261 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -10.642 -6.430 14.974 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -11.472 -3.654 14.166 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -9.927 -4.207 14.782 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -10.339 -3.748 12.099 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -9.198 -4.954 12.662 1.00 1.00 H new TER 1672 PRO A 105