USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 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 92 ASN : amide:sc= -0.0346 X(o=-0.058,f=-0.0055) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.023 X(o=-0.058,f=-0.0055) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 156:sc= -5.02! (180deg=-0.0821) USER MOD Set 2.2: A 10 HIS : no HE2:sc= -7.72! C(o=-13!,f=-22!) USER MOD Single : A 1 PCA N :NH3+ -91:sc= 0.0113 (180deg=-0.164) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 7 GLN : amide:sc= -5.72! C(o=-5.7!,f=-5.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 71:sc= -1.91! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= -1.5 (180deg=-3.22!) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0177 (180deg=-0.402) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 147:sc= -2.4 (180deg=-4.6!) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.926 (180deg=-2.55) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 34 ASN : amide:sc= -2.54! C(o=-2.5!,f=-11!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= -1.34 (180deg=-3.45!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -3.78! C(o=-3.8!,f=-3.6!) USER MOD Single : A 54 ASN : amide:sc= 0.138 K(o=0.14,f=-4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 59 SER OG : rot 133:sc= 1.72 USER MOD Single : A 67 GLN : amide:sc= -0.419 K(o=-0.42,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.163) USER MOD Single : A 76 HIS : no HD1:sc=-0.00403 X(o=-0.004,f=-0.11) USER MOD Single : A 77 TYR OH : rot -100:sc= 0.00998! USER MOD Single : A 78 LYS NZ :NH3+ -164:sc=-0.00338 (180deg=-0.201) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -6:sc= -1.16! USER MOD Single : A 82 SER OG : rot -19:sc= 0.73 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 84 ASN : amide:sc= -4.57! C(o=-4.6!,f=-9.1!) USER MOD Single : A 85 THR OG1 : rot -85:sc= 1.36 USER MOD Single : A 89 THR OG1 : rot -64:sc= 0.0383 USER MOD Single : A 97 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.040 9.686 1.620 1.00 1.00 N HETATM 2 CA PCA A 1 -6.571 11.044 1.486 1.00 1.00 C HETATM 3 CB PCA A 1 -5.473 11.949 1.924 1.00 1.00 C HETATM 4 CG PCA A 1 -4.585 11.067 2.538 1.00 1.00 C HETATM 5 CD PCA A 1 -4.787 9.678 2.231 1.00 1.00 C HETATM 6 OE PCA A 1 -4.069 8.634 2.424 1.00 1.00 O HETATM 7 C PCA A 1 -6.977 11.332 0.050 1.00 1.00 C HETATM 8 O PCA A 1 -7.772 12.213 -0.208 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.814 9.032 1.857 1.00 1.00 H new HETATM 0 HA PCA A 1 -7.469 11.184 2.088 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.014 12.467 1.082 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -5.828 12.714 2.614 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -3.570 11.341 2.251 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.658 11.198 3.618 1.00 1.00 H new ATOM 15 N ASP A 2 -6.441 10.596 -0.882 1.00 1.00 N ATOM 16 CA ASP A 2 -6.790 10.814 -2.314 1.00 1.00 C ATOM 17 C ASP A 2 -6.276 9.626 -3.126 1.00 1.00 C ATOM 18 O ASP A 2 -5.134 9.228 -3.006 1.00 1.00 O ATOM 19 CB ASP A 2 -6.134 12.108 -2.812 1.00 1.00 C ATOM 20 CG ASP A 2 -7.012 13.306 -2.445 1.00 1.00 C ATOM 21 OD1 ASP A 2 -8.147 13.343 -2.891 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.534 14.167 -1.725 1.00 1.00 O ATOM 0 H ASP A 2 -5.770 9.846 -0.712 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.871 10.901 -2.428 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.145 12.220 -2.368 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.995 12.064 -3.892 1.00 1.00 H new ATOM 27 N TRP A 3 -7.110 9.043 -3.940 1.00 1.00 N ATOM 28 CA TRP A 3 -6.666 7.869 -4.743 1.00 1.00 C ATOM 29 C TRP A 3 -5.319 8.176 -5.403 1.00 1.00 C ATOM 30 O TRP A 3 -4.517 7.295 -5.629 1.00 1.00 O ATOM 31 CB TRP A 3 -7.725 7.554 -5.806 1.00 1.00 C ATOM 32 CG TRP A 3 -7.159 6.675 -6.883 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.376 6.858 -8.205 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.309 5.487 -6.770 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.712 5.873 -8.911 1.00 1.00 N ATOM 36 CE2 TRP A 3 -6.042 5.005 -8.075 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.747 4.785 -5.682 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.250 3.878 -8.293 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.951 3.650 -5.902 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.702 3.199 -7.204 1.00 1.00 C ATOM 0 H TRP A 3 -8.079 9.328 -4.084 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.545 7.001 -4.094 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.578 7.061 -5.340 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.093 8.482 -6.244 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.972 7.647 -8.639 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.717 5.797 -9.928 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.931 5.124 -4.673 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.062 3.533 -9.299 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.528 3.121 -5.061 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.086 2.326 -7.365 1.00 1.00 H new ATOM 51 N GLU A 4 -5.059 9.418 -5.708 1.00 1.00 N ATOM 52 CA GLU A 4 -3.757 9.764 -6.348 1.00 1.00 C ATOM 53 C GLU A 4 -2.613 9.424 -5.392 1.00 1.00 C ATOM 54 O GLU A 4 -1.972 8.403 -5.521 1.00 1.00 O ATOM 55 CB GLU A 4 -3.728 11.259 -6.673 1.00 1.00 C ATOM 56 CG GLU A 4 -4.637 11.539 -7.872 1.00 1.00 C ATOM 57 CD GLU A 4 -4.775 13.051 -8.067 1.00 1.00 C ATOM 58 OE1 GLU A 4 -3.843 13.759 -7.727 1.00 1.00 O ATOM 59 OE2 GLU A 4 -5.811 13.473 -8.554 1.00 1.00 O ATOM 0 H GLU A 4 -5.687 10.204 -5.543 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.641 9.192 -7.269 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.059 11.836 -5.810 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.708 11.574 -6.895 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.222 11.082 -8.771 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.618 11.092 -7.711 1.00 1.00 H new ATOM 66 N THR A 5 -2.351 10.263 -4.429 1.00 1.00 N ATOM 67 CA THR A 5 -1.245 9.962 -3.475 1.00 1.00 C ATOM 68 C THR A 5 -1.406 8.535 -2.961 1.00 1.00 C ATOM 69 O THR A 5 -0.479 7.751 -2.970 1.00 1.00 O ATOM 70 CB THR A 5 -1.297 10.938 -2.300 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.252 10.631 -1.387 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.649 10.828 -1.590 1.00 1.00 C ATOM 0 H THR A 5 -2.849 11.137 -4.261 1.00 1.00 H new ATOM 0 HA THR A 5 -0.286 10.066 -3.982 1.00 1.00 H new ATOM 0 HB THR A 5 -1.172 11.955 -2.670 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.282 11.256 -0.633 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.679 11.526 -0.754 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.449 11.067 -2.291 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.784 9.812 -1.219 1.00 1.00 H new ATOM 80 N PHE A 6 -2.586 8.186 -2.529 1.00 1.00 N ATOM 81 CA PHE A 6 -2.814 6.804 -2.034 1.00 1.00 C ATOM 82 C PHE A 6 -2.278 5.820 -3.075 1.00 1.00 C ATOM 83 O PHE A 6 -1.923 4.701 -2.770 1.00 1.00 O ATOM 84 CB PHE A 6 -4.315 6.580 -1.835 1.00 1.00 C ATOM 85 CG PHE A 6 -4.545 5.340 -1.004 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.372 5.383 0.384 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.939 4.147 -1.624 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.593 4.233 1.152 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.159 2.999 -0.856 1.00 1.00 C ATOM 90 CZ PHE A 6 -4.986 3.041 0.532 1.00 1.00 C ATOM 0 H PHE A 6 -3.401 8.799 -2.498 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.302 6.653 -1.084 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.758 7.445 -1.343 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.807 6.477 -2.802 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.068 6.302 0.863 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.073 4.114 -2.695 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.460 4.266 2.223 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.463 2.080 -1.334 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.156 2.154 1.125 1.00 1.00 H new ATOM 100 N GLN A 7 -2.211 6.240 -4.309 1.00 1.00 N ATOM 101 CA GLN A 7 -1.688 5.344 -5.376 1.00 1.00 C ATOM 102 C GLN A 7 -0.177 5.543 -5.499 1.00 1.00 C ATOM 103 O GLN A 7 0.525 4.727 -6.061 1.00 1.00 O ATOM 104 CB GLN A 7 -2.359 5.689 -6.713 1.00 1.00 C ATOM 105 CG GLN A 7 -1.864 4.737 -7.807 1.00 1.00 C ATOM 106 CD GLN A 7 -0.533 5.243 -8.370 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.432 4.508 -8.431 1.00 1.00 O ATOM 108 NE2 GLN A 7 -0.443 6.476 -8.787 1.00 1.00 N ATOM 0 H GLN A 7 -2.497 7.167 -4.624 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.905 4.306 -5.122 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.442 5.614 -6.616 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.134 6.720 -6.987 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.739 3.734 -7.400 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.604 4.668 -8.604 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -1.254 7.092 -8.735 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.438 6.824 -9.165 1.00 1.00 H new ATOM 117 N LYS A 8 0.325 6.642 -4.997 1.00 1.00 N ATOM 118 CA LYS A 8 1.788 6.916 -5.111 1.00 1.00 C ATOM 119 C LYS A 8 2.559 6.351 -3.911 1.00 1.00 C ATOM 120 O LYS A 8 3.554 5.673 -4.073 1.00 1.00 O ATOM 121 CB LYS A 8 2.004 8.431 -5.176 1.00 1.00 C ATOM 122 CG LYS A 8 1.113 9.039 -6.269 1.00 1.00 C ATOM 123 CD LYS A 8 1.835 8.980 -7.617 1.00 1.00 C ATOM 124 CE LYS A 8 0.915 9.524 -8.713 1.00 1.00 C ATOM 125 NZ LYS A 8 1.696 9.714 -9.968 1.00 1.00 N ATOM 0 H LYS A 8 -0.215 7.360 -4.514 1.00 1.00 H new ATOM 0 HA LYS A 8 2.160 6.432 -6.014 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.771 8.882 -4.212 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.051 8.649 -5.385 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.170 8.495 -6.327 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.870 10.072 -6.021 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.754 9.565 -7.575 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.121 7.953 -7.844 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.090 8.833 -8.886 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.477 10.471 -8.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.071 10.084 -10.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.468 10.389 -9.797 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.094 8.802 -10.271 1.00 1.00 H new ATOM 139 N LYS A 9 2.139 6.649 -2.709 1.00 1.00 N ATOM 140 CA LYS A 9 2.892 6.152 -1.516 1.00 1.00 C ATOM 141 C LYS A 9 2.400 4.767 -1.070 1.00 1.00 C ATOM 142 O LYS A 9 3.184 3.856 -0.905 1.00 1.00 O ATOM 143 CB LYS A 9 2.733 7.147 -0.360 1.00 1.00 C ATOM 144 CG LYS A 9 1.304 7.695 -0.329 1.00 1.00 C ATOM 145 CD LYS A 9 1.124 8.583 0.905 1.00 1.00 C ATOM 146 CE LYS A 9 -0.366 8.823 1.153 1.00 1.00 C ATOM 147 NZ LYS A 9 -0.964 7.614 1.788 1.00 1.00 N ATOM 0 H LYS A 9 1.313 7.211 -2.501 1.00 1.00 H new ATOM 0 HA LYS A 9 3.942 6.062 -1.795 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.963 6.657 0.586 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.442 7.966 -0.475 1.00 1.00 H new ATOM 0 HG2 LYS A 9 1.103 8.268 -1.235 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.588 6.873 -0.306 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.576 8.108 1.776 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.636 9.534 0.759 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.503 9.691 1.798 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -0.872 9.041 0.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.818 7.886 2.316 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.217 6.924 1.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.275 7.187 2.440 1.00 1.00 H new ATOM 161 N HIS A 10 1.126 4.597 -0.848 1.00 1.00 N ATOM 162 CA HIS A 10 0.628 3.268 -0.380 1.00 1.00 C ATOM 163 C HIS A 10 0.773 2.213 -1.474 1.00 1.00 C ATOM 164 O HIS A 10 0.715 1.040 -1.198 1.00 1.00 O ATOM 165 CB HIS A 10 -0.843 3.380 0.026 1.00 1.00 C ATOM 166 CG HIS A 10 -0.952 4.172 1.299 1.00 1.00 C ATOM 167 ND1 HIS A 10 -2.054 4.075 2.138 1.00 1.00 N ATOM 168 CD2 HIS A 10 -0.105 5.075 1.893 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.842 4.902 3.181 1.00 1.00 C ATOM 170 NE2 HIS A 10 -0.672 5.532 3.077 1.00 1.00 N ATOM 0 H HIS A 10 0.411 5.314 -0.969 1.00 1.00 H new ATOM 0 HA HIS A 10 1.227 2.963 0.478 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.414 3.864 -0.766 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.270 2.387 0.165 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -2.874 3.486 1.992 1.00 1.00 H new ATOM 0 HD2 HIS A 10 0.853 5.382 1.501 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -2.534 5.037 3.999 1.00 1.00 H new ATOM 179 N LEU A 11 0.955 2.603 -2.708 1.00 1.00 N ATOM 180 CA LEU A 11 1.095 1.582 -3.797 1.00 1.00 C ATOM 181 C LEU A 11 2.417 1.786 -4.535 1.00 1.00 C ATOM 182 O LEU A 11 2.897 2.894 -4.674 1.00 1.00 O ATOM 183 CB LEU A 11 -0.064 1.737 -4.791 1.00 1.00 C ATOM 184 CG LEU A 11 -1.184 0.747 -4.458 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.803 1.100 -3.103 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.259 0.821 -5.541 1.00 1.00 C ATOM 0 H LEU A 11 1.013 3.575 -3.011 1.00 1.00 H new ATOM 0 HA LEU A 11 1.077 0.585 -3.357 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.448 2.757 -4.757 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.293 1.565 -5.806 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.773 -0.262 -4.413 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.599 0.392 -2.871 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.037 1.051 -2.329 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.214 2.109 -3.143 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -3.059 0.118 -5.308 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.665 1.832 -5.582 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.821 0.566 -6.506 1.00 1.00 H new ATOM 198 N THR A 12 2.999 0.722 -5.029 1.00 1.00 N ATOM 199 CA THR A 12 4.283 0.851 -5.784 1.00 1.00 C ATOM 200 C THR A 12 4.134 0.166 -7.144 1.00 1.00 C ATOM 201 O THR A 12 3.040 -0.148 -7.568 1.00 1.00 O ATOM 202 CB THR A 12 5.429 0.203 -4.999 1.00 1.00 C ATOM 203 OG1 THR A 12 6.549 0.046 -5.857 1.00 1.00 O ATOM 204 CG2 THR A 12 5.001 -1.168 -4.459 1.00 1.00 C ATOM 0 H THR A 12 2.641 -0.229 -4.942 1.00 1.00 H new ATOM 0 HA THR A 12 4.513 1.907 -5.926 1.00 1.00 H new ATOM 0 HB THR A 12 5.691 0.843 -4.157 1.00 1.00 H new ATOM 0 HG1 THR A 12 6.939 0.924 -6.050 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.826 -1.614 -3.904 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.143 -1.047 -3.798 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.729 -1.818 -5.291 1.00 1.00 H new ATOM 212 N ASP A 13 5.221 -0.054 -7.838 1.00 1.00 N ATOM 213 CA ASP A 13 5.132 -0.702 -9.181 1.00 1.00 C ATOM 214 C ASP A 13 5.930 -2.011 -9.205 1.00 1.00 C ATOM 215 O ASP A 13 6.094 -2.616 -10.245 1.00 1.00 O ATOM 216 CB ASP A 13 5.700 0.249 -10.237 1.00 1.00 C ATOM 217 CG ASP A 13 5.576 -0.390 -11.621 1.00 1.00 C ATOM 218 OD1 ASP A 13 4.507 -0.291 -12.204 1.00 1.00 O ATOM 219 OD2 ASP A 13 6.549 -0.969 -12.075 1.00 1.00 O ATOM 0 H ASP A 13 6.164 0.186 -7.534 1.00 1.00 H new ATOM 0 HA ASP A 13 4.086 -0.924 -9.394 1.00 1.00 H new ATOM 0 HB2 ASP A 13 5.163 1.197 -10.214 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.745 0.469 -10.019 1.00 1.00 H new ATOM 224 N THR A 14 6.433 -2.461 -8.083 1.00 1.00 N ATOM 225 CA THR A 14 7.216 -3.734 -8.093 1.00 1.00 C ATOM 226 C THR A 14 6.972 -4.512 -6.799 1.00 1.00 C ATOM 227 O THR A 14 6.623 -3.953 -5.779 1.00 1.00 O ATOM 228 CB THR A 14 8.706 -3.411 -8.219 1.00 1.00 C ATOM 229 OG1 THR A 14 9.446 -4.622 -8.293 1.00 1.00 O ATOM 230 CG2 THR A 14 9.160 -2.607 -7.003 1.00 1.00 C ATOM 0 H THR A 14 6.338 -2.010 -7.173 1.00 1.00 H new ATOM 0 HA THR A 14 6.897 -4.343 -8.939 1.00 1.00 H new ATOM 0 HB THR A 14 8.876 -2.825 -9.122 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.401 -4.417 -8.376 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.222 -2.378 -7.094 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.592 -1.679 -6.948 1.00 1.00 H new ATOM 0 HG23 THR A 14 8.991 -3.190 -6.098 1.00 1.00 H new ATOM 238 N LYS A 15 7.161 -5.804 -6.840 1.00 1.00 N ATOM 239 CA LYS A 15 6.948 -6.632 -5.621 1.00 1.00 C ATOM 240 C LYS A 15 8.112 -6.407 -4.652 1.00 1.00 C ATOM 241 O LYS A 15 7.999 -6.637 -3.466 1.00 1.00 O ATOM 242 CB LYS A 15 6.892 -8.112 -6.011 1.00 1.00 C ATOM 243 CG LYS A 15 5.933 -8.298 -7.193 1.00 1.00 C ATOM 244 CD LYS A 15 6.060 -9.723 -7.749 1.00 1.00 C ATOM 245 CE LYS A 15 5.245 -10.691 -6.887 1.00 1.00 C ATOM 246 NZ LYS A 15 3.818 -10.263 -6.869 1.00 1.00 N ATOM 0 H LYS A 15 7.455 -6.322 -7.668 1.00 1.00 H new ATOM 0 HA LYS A 15 6.010 -6.347 -5.144 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.888 -8.466 -6.279 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.559 -8.710 -5.162 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.908 -8.113 -6.873 1.00 1.00 H new ATOM 0 HG3 LYS A 15 6.159 -7.572 -7.974 1.00 1.00 H new ATOM 0 HD2 LYS A 15 5.707 -9.754 -8.780 1.00 1.00 H new ATOM 0 HD3 LYS A 15 7.107 -10.026 -7.762 1.00 1.00 H new ATOM 0 HE2 LYS A 15 5.327 -11.703 -7.283 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.642 -10.712 -5.872 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.205 -11.102 -6.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 3.646 -9.663 -6.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.606 -9.725 -7.733 1.00 1.00 H new ATOM 260 N LYS A 16 9.231 -5.958 -5.158 1.00 1.00 N ATOM 261 CA LYS A 16 10.415 -5.709 -4.284 1.00 1.00 C ATOM 262 C LYS A 16 10.812 -4.235 -4.389 1.00 1.00 C ATOM 263 O LYS A 16 11.835 -3.895 -4.951 1.00 1.00 O ATOM 264 CB LYS A 16 11.580 -6.583 -4.752 1.00 1.00 C ATOM 265 CG LYS A 16 11.180 -8.061 -4.667 1.00 1.00 C ATOM 266 CD LYS A 16 12.024 -8.879 -5.649 1.00 1.00 C ATOM 267 CE LYS A 16 11.931 -10.363 -5.292 1.00 1.00 C ATOM 268 NZ LYS A 16 10.498 -10.760 -5.184 1.00 1.00 N ATOM 0 H LYS A 16 9.376 -5.752 -6.146 1.00 1.00 H new ATOM 0 HA LYS A 16 10.170 -5.951 -3.250 1.00 1.00 H new ATOM 0 HB2 LYS A 16 11.851 -6.327 -5.776 1.00 1.00 H new ATOM 0 HB3 LYS A 16 12.458 -6.397 -4.134 1.00 1.00 H new ATOM 0 HG2 LYS A 16 11.326 -8.430 -3.652 1.00 1.00 H new ATOM 0 HG3 LYS A 16 10.121 -8.176 -4.899 1.00 1.00 H new ATOM 0 HD2 LYS A 16 11.673 -8.717 -6.668 1.00 1.00 H new ATOM 0 HD3 LYS A 16 13.063 -8.550 -5.613 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.429 -10.963 -6.054 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.444 -10.554 -4.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 10.414 -11.790 -5.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 10.130 -10.483 -4.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.949 -10.284 -5.928 1.00 1.00 H new ATOM 282 N VAL A 17 10.007 -3.354 -3.859 1.00 1.00 N ATOM 283 CA VAL A 17 10.335 -1.903 -3.938 1.00 1.00 C ATOM 284 C VAL A 17 11.745 -1.658 -3.432 1.00 1.00 C ATOM 285 O VAL A 17 12.387 -2.532 -2.884 1.00 1.00 O ATOM 286 CB VAL A 17 9.370 -1.097 -3.071 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.945 -1.302 -3.567 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.481 -1.557 -1.614 1.00 1.00 C ATOM 0 H VAL A 17 9.137 -3.577 -3.375 1.00 1.00 H new ATOM 0 HA VAL A 17 10.251 -1.592 -4.979 1.00 1.00 H new ATOM 0 HB VAL A 17 9.624 -0.039 -3.134 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.258 -0.726 -2.947 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.868 -0.967 -4.601 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.688 -2.360 -3.508 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.792 -0.981 -0.997 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.230 -2.616 -1.547 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.500 -1.403 -1.260 1.00 1.00 H new ATOM 298 N LYS A 18 12.216 -0.457 -3.591 1.00 1.00 N ATOM 299 CA LYS A 18 13.574 -0.116 -3.101 1.00 1.00 C ATOM 300 C LYS A 18 13.422 0.629 -1.780 1.00 1.00 C ATOM 301 O LYS A 18 13.704 1.803 -1.681 1.00 1.00 O ATOM 302 CB LYS A 18 14.286 0.774 -4.123 1.00 1.00 C ATOM 303 CG LYS A 18 13.311 1.832 -4.649 1.00 1.00 C ATOM 304 CD LYS A 18 14.036 2.767 -5.629 1.00 1.00 C ATOM 305 CE LYS A 18 13.988 2.177 -7.041 1.00 1.00 C ATOM 306 NZ LYS A 18 14.879 2.965 -7.939 1.00 1.00 N ATOM 0 H LYS A 18 11.715 0.308 -4.043 1.00 1.00 H new ATOM 0 HA LYS A 18 14.166 -1.020 -2.960 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.148 1.256 -3.662 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.662 0.169 -4.948 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.470 1.349 -5.147 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.902 2.407 -3.819 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.568 3.751 -5.620 1.00 1.00 H new ATOM 0 HD3 LYS A 18 15.071 2.904 -5.317 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.304 1.134 -7.022 1.00 1.00 H new ATOM 0 HE3 LYS A 18 12.966 2.194 -7.419 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.847 2.565 -8.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 14.558 3.954 -7.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.855 2.927 -7.581 1.00 1.00 H new ATOM 320 N CYS A 19 12.948 -0.054 -0.773 1.00 1.00 N ATOM 321 CA CYS A 19 12.732 0.583 0.559 1.00 1.00 C ATOM 322 C CYS A 19 13.752 1.702 0.812 1.00 1.00 C ATOM 323 O CYS A 19 13.423 2.746 1.347 1.00 1.00 O ATOM 324 CB CYS A 19 12.876 -0.480 1.647 1.00 1.00 C ATOM 325 SG CYS A 19 11.370 -1.475 1.712 1.00 1.00 S ATOM 0 H CYS A 19 12.697 -1.042 -0.818 1.00 1.00 H new ATOM 0 HA CYS A 19 11.733 1.018 0.576 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.737 -1.115 1.439 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.055 -0.007 2.612 1.00 1.00 H new ATOM 330 N ASP A 20 14.987 1.493 0.441 1.00 1.00 N ATOM 331 CA ASP A 20 16.027 2.538 0.672 1.00 1.00 C ATOM 332 C ASP A 20 15.507 3.888 0.186 1.00 1.00 C ATOM 333 O ASP A 20 15.683 4.904 0.829 1.00 1.00 O ATOM 334 CB ASP A 20 17.299 2.170 -0.095 1.00 1.00 C ATOM 335 CG ASP A 20 18.303 3.321 -0.006 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.092 4.318 -0.677 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.265 3.186 0.732 1.00 1.00 O ATOM 0 H ASP A 20 15.321 0.643 -0.013 1.00 1.00 H new ATOM 0 HA ASP A 20 16.253 2.599 1.737 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.735 1.261 0.319 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.060 1.963 -1.138 1.00 1.00 H new ATOM 342 N VAL A 21 14.854 3.900 -0.940 1.00 1.00 N ATOM 343 CA VAL A 21 14.302 5.173 -1.477 1.00 1.00 C ATOM 344 C VAL A 21 12.797 5.206 -1.204 1.00 1.00 C ATOM 345 O VAL A 21 12.228 6.247 -0.942 1.00 1.00 O ATOM 346 CB VAL A 21 14.556 5.236 -2.987 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.640 6.695 -3.442 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.874 4.529 -3.310 1.00 1.00 C ATOM 0 H VAL A 21 14.678 3.077 -1.516 1.00 1.00 H new ATOM 0 HA VAL A 21 14.783 6.026 -0.997 1.00 1.00 H new ATOM 0 HB VAL A 21 13.735 4.744 -3.509 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.821 6.731 -4.516 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.702 7.202 -3.214 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.457 7.193 -2.920 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.057 4.573 -4.384 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.690 5.023 -2.783 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.815 3.487 -2.994 1.00 1.00 H new ATOM 358 N GLU A 22 12.149 4.071 -1.241 1.00 1.00 N ATOM 359 CA GLU A 22 10.685 4.043 -0.964 1.00 1.00 C ATOM 360 C GLU A 22 10.446 4.678 0.409 1.00 1.00 C ATOM 361 O GLU A 22 9.326 4.900 0.824 1.00 1.00 O ATOM 362 CB GLU A 22 10.183 2.589 -0.971 1.00 1.00 C ATOM 363 CG GLU A 22 8.971 2.451 -1.904 1.00 1.00 C ATOM 364 CD GLU A 22 7.920 3.506 -1.553 1.00 1.00 C ATOM 365 OE1 GLU A 22 7.713 3.739 -0.375 1.00 1.00 O ATOM 366 OE2 GLU A 22 7.338 4.063 -2.470 1.00 1.00 O ATOM 0 H GLU A 22 12.570 3.166 -1.450 1.00 1.00 H new ATOM 0 HA GLU A 22 10.143 4.598 -1.730 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.981 1.923 -1.299 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.909 2.286 0.040 1.00 1.00 H new ATOM 0 HG2 GLU A 22 9.284 2.569 -2.941 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.542 1.453 -1.812 1.00 1.00 H new ATOM 373 N MET A 23 11.508 4.973 1.111 1.00 1.00 N ATOM 374 CA MET A 23 11.386 5.599 2.461 1.00 1.00 C ATOM 375 C MET A 23 12.235 6.871 2.505 1.00 1.00 C ATOM 376 O MET A 23 11.792 7.911 2.951 1.00 1.00 O ATOM 377 CB MET A 23 11.901 4.626 3.525 1.00 1.00 C ATOM 378 CG MET A 23 10.911 3.475 3.706 1.00 1.00 C ATOM 379 SD MET A 23 11.239 2.647 5.283 1.00 1.00 S ATOM 380 CE MET A 23 10.708 3.989 6.377 1.00 1.00 C ATOM 0 H MET A 23 12.466 4.805 0.803 1.00 1.00 H new ATOM 0 HA MET A 23 10.341 5.839 2.655 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.875 4.235 3.231 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.040 5.149 4.471 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.889 3.853 3.686 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.005 2.766 2.883 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.273 3.569 7.284 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.567 4.606 6.639 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.964 4.601 5.867 1.00 1.00 H new ATOM 390 N ALA A 24 13.456 6.795 2.050 1.00 1.00 N ATOM 391 CA ALA A 24 14.335 7.996 2.070 1.00 1.00 C ATOM 392 C ALA A 24 13.809 9.026 1.070 1.00 1.00 C ATOM 393 O ALA A 24 14.416 10.055 0.847 1.00 1.00 O ATOM 394 CB ALA A 24 15.760 7.589 1.693 1.00 1.00 C ATOM 0 H ALA A 24 13.882 5.952 1.665 1.00 1.00 H new ATOM 0 HA ALA A 24 14.338 8.432 3.069 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.405 8.467 1.707 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.130 6.855 2.409 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.762 7.154 0.694 1.00 1.00 H new ATOM 400 N LYS A 25 12.684 8.755 0.467 1.00 1.00 N ATOM 401 CA LYS A 25 12.108 9.717 -0.518 1.00 1.00 C ATOM 402 C LYS A 25 11.994 11.101 0.130 1.00 1.00 C ATOM 403 O LYS A 25 12.553 11.360 1.176 1.00 1.00 O ATOM 404 CB LYS A 25 10.705 9.246 -0.928 1.00 1.00 C ATOM 405 CG LYS A 25 10.781 8.367 -2.186 1.00 1.00 C ATOM 406 CD LYS A 25 9.804 7.200 -2.052 1.00 1.00 C ATOM 407 CE LYS A 25 8.370 7.721 -2.152 1.00 1.00 C ATOM 408 NZ LYS A 25 8.188 8.432 -3.449 1.00 1.00 N ATOM 0 H LYS A 25 12.137 7.907 0.614 1.00 1.00 H new ATOM 0 HA LYS A 25 12.754 9.769 -1.394 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.250 8.685 -0.112 1.00 1.00 H new ATOM 0 HB3 LYS A 25 10.066 10.108 -1.117 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.540 8.957 -3.070 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.796 7.992 -2.320 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.990 6.464 -2.834 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.953 6.695 -1.098 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.665 6.893 -2.077 1.00 1.00 H new ATOM 0 HE3 LYS A 25 8.158 8.396 -1.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.200 8.341 -3.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.422 9.438 -3.329 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.816 8.014 -4.165 1.00 1.00 H new ATOM 422 N ALA A 26 11.254 11.986 -0.484 1.00 1.00 N ATOM 423 CA ALA A 26 11.077 13.349 0.087 1.00 1.00 C ATOM 424 C ALA A 26 9.696 13.448 0.736 1.00 1.00 C ATOM 425 O ALA A 26 9.421 14.361 1.491 1.00 1.00 O ATOM 426 CB ALA A 26 11.187 14.386 -1.032 1.00 1.00 C ATOM 0 H ALA A 26 10.762 11.820 -1.362 1.00 1.00 H new ATOM 0 HA ALA A 26 11.848 13.536 0.835 1.00 1.00 H new ATOM 0 HB1 ALA A 26 11.058 15.385 -0.616 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.168 14.312 -1.501 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.414 14.200 -1.777 1.00 1.00 H new ATOM 432 N LEU A 27 8.820 12.516 0.451 1.00 1.00 N ATOM 433 CA LEU A 27 7.456 12.563 1.058 1.00 1.00 C ATOM 434 C LEU A 27 7.408 11.642 2.279 1.00 1.00 C ATOM 435 O LEU A 27 6.406 11.555 2.961 1.00 1.00 O ATOM 436 CB LEU A 27 6.412 12.118 0.023 1.00 1.00 C ATOM 437 CG LEU A 27 6.556 10.612 -0.275 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.483 9.819 0.483 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.383 10.366 -1.780 1.00 1.00 C ATOM 0 H LEU A 27 8.991 11.728 -0.174 1.00 1.00 H new ATOM 0 HA LEU A 27 7.233 13.583 1.370 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.409 12.327 0.396 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.536 12.690 -0.896 1.00 1.00 H new ATOM 0 HG LEU A 27 7.545 10.285 0.046 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.594 8.757 0.265 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.598 9.984 1.554 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.494 10.152 0.168 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.485 9.301 -1.989 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.395 10.704 -2.093 1.00 1.00 H new ATOM 0 HD23 LEU A 27 7.146 10.918 -2.329 1.00 1.00 H new ATOM 451 N PHE A 28 8.490 10.965 2.566 1.00 1.00 N ATOM 452 CA PHE A 28 8.521 10.053 3.750 1.00 1.00 C ATOM 453 C PHE A 28 9.507 10.609 4.784 1.00 1.00 C ATOM 454 O PHE A 28 9.236 10.621 5.967 1.00 1.00 O ATOM 455 CB PHE A 28 8.974 8.656 3.310 1.00 1.00 C ATOM 456 CG PHE A 28 7.774 7.836 2.885 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.775 7.524 3.814 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.664 7.387 1.563 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.665 6.765 3.422 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.555 6.628 1.170 1.00 1.00 C ATOM 461 CZ PHE A 28 5.556 6.317 2.100 1.00 1.00 C ATOM 0 H PHE A 28 9.357 11.004 2.030 1.00 1.00 H new ATOM 0 HA PHE A 28 7.525 9.986 4.189 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.681 8.737 2.485 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.494 8.158 4.128 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.860 7.869 4.834 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.435 7.626 0.846 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.894 6.525 4.139 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.470 6.283 0.150 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.701 5.731 1.798 1.00 1.00 H new ATOM 471 N ASP A 29 10.646 11.072 4.338 1.00 1.00 N ATOM 472 CA ASP A 29 11.661 11.636 5.279 1.00 1.00 C ATOM 473 C ASP A 29 12.443 10.500 5.948 1.00 1.00 C ATOM 474 O ASP A 29 12.721 10.540 7.130 1.00 1.00 O ATOM 475 CB ASP A 29 10.963 12.486 6.351 1.00 1.00 C ATOM 476 CG ASP A 29 11.893 13.615 6.802 1.00 1.00 C ATOM 477 OD1 ASP A 29 12.716 13.369 7.669 1.00 1.00 O ATOM 478 OD2 ASP A 29 11.767 14.707 6.273 1.00 1.00 O ATOM 0 H ASP A 29 10.919 11.084 3.355 1.00 1.00 H new ATOM 0 HA ASP A 29 12.354 12.264 4.718 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.037 12.902 5.953 1.00 1.00 H new ATOM 0 HB3 ASP A 29 10.692 11.863 7.203 1.00 1.00 H new ATOM 483 N CYS A 30 12.810 9.494 5.199 1.00 1.00 N ATOM 484 CA CYS A 30 13.586 8.364 5.790 1.00 1.00 C ATOM 485 C CYS A 30 12.959 7.941 7.122 1.00 1.00 C ATOM 486 O CYS A 30 13.599 7.966 8.155 1.00 1.00 O ATOM 487 CB CYS A 30 15.030 8.813 6.026 1.00 1.00 C ATOM 488 SG CYS A 30 15.943 7.503 6.876 1.00 1.00 S ATOM 0 H CYS A 30 12.606 9.406 4.204 1.00 1.00 H new ATOM 0 HA CYS A 30 13.570 7.518 5.103 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.509 9.045 5.075 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.045 9.726 6.622 1.00 1.00 H new ATOM 493 N LYS A 31 11.712 7.558 7.109 1.00 1.00 N ATOM 494 CA LYS A 31 11.043 7.139 8.374 1.00 1.00 C ATOM 495 C LYS A 31 11.733 5.887 8.929 1.00 1.00 C ATOM 496 O LYS A 31 12.937 5.747 8.860 1.00 1.00 O ATOM 497 CB LYS A 31 9.565 6.831 8.096 1.00 1.00 C ATOM 498 CG LYS A 31 9.037 7.732 6.962 1.00 1.00 C ATOM 499 CD LYS A 31 7.769 8.458 7.413 1.00 1.00 C ATOM 500 CE LYS A 31 6.631 7.451 7.616 1.00 1.00 C ATOM 501 NZ LYS A 31 5.322 8.158 7.526 1.00 1.00 N ATOM 0 H LYS A 31 11.126 7.517 6.275 1.00 1.00 H new ATOM 0 HA LYS A 31 11.113 7.945 9.105 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.450 5.783 7.821 1.00 1.00 H new ATOM 0 HB3 LYS A 31 8.977 6.989 9.000 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.799 8.458 6.679 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.826 7.131 6.078 1.00 1.00 H new ATOM 0 HD2 LYS A 31 7.959 8.996 8.342 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.481 9.200 6.668 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.686 6.667 6.861 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.729 6.966 8.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 4.549 7.476 7.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 5.272 8.891 8.262 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.230 8.601 6.590 1.00 1.00 H new ATOM 515 N LYS A 32 10.971 4.977 9.480 1.00 1.00 N ATOM 516 CA LYS A 32 11.569 3.728 10.041 1.00 1.00 C ATOM 517 C LYS A 32 10.700 2.529 9.650 1.00 1.00 C ATOM 518 O LYS A 32 11.189 1.436 9.445 1.00 1.00 O ATOM 519 CB LYS A 32 11.634 3.833 11.567 1.00 1.00 C ATOM 520 CG LYS A 32 10.219 3.977 12.130 1.00 1.00 C ATOM 521 CD LYS A 32 10.293 4.348 13.614 1.00 1.00 C ATOM 522 CE LYS A 32 10.979 3.222 14.393 1.00 1.00 C ATOM 523 NZ LYS A 32 10.640 3.341 15.839 1.00 1.00 N ATOM 0 H LYS A 32 9.957 5.046 9.566 1.00 1.00 H new ATOM 0 HA LYS A 32 12.575 3.596 9.643 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.114 2.947 11.983 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.241 4.690 11.857 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.674 4.744 11.580 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.670 3.044 12.005 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.846 5.279 13.739 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.291 4.517 14.007 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.657 2.253 14.012 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.059 3.276 14.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 11.106 2.577 16.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.968 4.260 16.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.610 3.269 15.961 1.00 1.00 H new ATOM 537 N THR A 33 9.414 2.730 9.537 1.00 1.00 N ATOM 538 CA THR A 33 8.500 1.614 9.149 1.00 1.00 C ATOM 539 C THR A 33 7.655 2.066 7.958 1.00 1.00 C ATOM 540 O THR A 33 7.190 3.188 7.911 1.00 1.00 O ATOM 541 CB THR A 33 7.584 1.270 10.326 1.00 1.00 C ATOM 542 OG1 THR A 33 8.360 1.155 11.510 1.00 1.00 O ATOM 543 CG2 THR A 33 6.870 -0.054 10.050 1.00 1.00 C ATOM 0 H THR A 33 8.953 3.626 9.698 1.00 1.00 H new ATOM 0 HA THR A 33 9.081 0.732 8.880 1.00 1.00 H new ATOM 0 HB THR A 33 6.843 2.059 10.453 1.00 1.00 H new ATOM 0 HG1 THR A 33 7.775 0.936 12.265 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.218 -0.298 10.889 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.274 0.036 9.142 1.00 1.00 H new ATOM 0 HG23 THR A 33 7.608 -0.846 9.922 1.00 1.00 H new ATOM 551 N ASN A 34 7.458 1.215 6.987 1.00 1.00 N ATOM 552 CA ASN A 34 6.651 1.628 5.804 1.00 1.00 C ATOM 553 C ASN A 34 5.981 0.408 5.168 1.00 1.00 C ATOM 554 O ASN A 34 6.487 -0.695 5.222 1.00 1.00 O ATOM 555 CB ASN A 34 7.573 2.298 4.781 1.00 1.00 C ATOM 556 CG ASN A 34 6.785 3.333 3.977 1.00 1.00 C ATOM 557 OD1 ASN A 34 5.628 3.128 3.669 1.00 1.00 O ATOM 558 ND2 ASN A 34 7.367 4.446 3.622 1.00 1.00 N ATOM 0 H ASN A 34 7.817 0.261 6.961 1.00 1.00 H new ATOM 0 HA ASN A 34 5.877 2.327 6.122 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.409 2.778 5.290 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.995 1.548 4.112 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.850 5.143 3.086 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.339 4.618 3.880 1.00 1.00 H new ATOM 565 N THR A 35 4.841 0.607 4.560 1.00 1.00 N ATOM 566 CA THR A 35 4.119 -0.525 3.909 1.00 1.00 C ATOM 567 C THR A 35 3.522 -0.047 2.582 1.00 1.00 C ATOM 568 O THR A 35 3.236 1.121 2.406 1.00 1.00 O ATOM 569 CB THR A 35 2.998 -1.011 4.831 1.00 1.00 C ATOM 570 OG1 THR A 35 3.566 -1.643 5.970 1.00 1.00 O ATOM 571 CG2 THR A 35 2.108 -2.006 4.085 1.00 1.00 C ATOM 0 H THR A 35 4.376 1.512 4.486 1.00 1.00 H new ATOM 0 HA THR A 35 4.813 -1.344 3.722 1.00 1.00 H new ATOM 0 HB THR A 35 2.396 -0.159 5.147 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.850 -1.954 6.563 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.312 -2.349 4.746 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.671 -1.520 3.212 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.706 -2.859 3.764 1.00 1.00 H new ATOM 579 N PHE A 36 3.318 -0.940 1.652 1.00 1.00 N ATOM 580 CA PHE A 36 2.723 -0.533 0.342 1.00 1.00 C ATOM 581 C PHE A 36 1.950 -1.721 -0.234 1.00 1.00 C ATOM 582 O PHE A 36 1.956 -2.792 0.331 1.00 1.00 O ATOM 583 CB PHE A 36 3.820 -0.128 -0.654 1.00 1.00 C ATOM 584 CG PHE A 36 5.056 0.352 0.068 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.155 1.683 0.483 1.00 1.00 C ATOM 586 CD2 PHE A 36 6.118 -0.530 0.292 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.314 2.130 1.125 1.00 1.00 C ATOM 588 CE2 PHE A 36 7.277 -0.084 0.928 1.00 1.00 C ATOM 589 CZ PHE A 36 7.377 1.245 1.344 1.00 1.00 C ATOM 0 H PHE A 36 3.536 -1.932 1.740 1.00 1.00 H new ATOM 0 HA PHE A 36 2.064 0.320 0.504 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.072 -0.978 -1.288 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.448 0.660 -1.309 1.00 1.00 H new ATOM 0 HD1 PHE A 36 4.337 2.366 0.308 1.00 1.00 H new ATOM 0 HD2 PHE A 36 6.041 -1.559 -0.028 1.00 1.00 H new ATOM 0 HE1 PHE A 36 6.389 3.157 1.452 1.00 1.00 H new ATOM 0 HE2 PHE A 36 8.096 -0.767 1.098 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.275 1.591 1.835 1.00 1.00 H new ATOM 599 N ILE A 37 1.284 -1.540 -1.350 1.00 1.00 N ATOM 600 CA ILE A 37 0.508 -2.661 -1.957 1.00 1.00 C ATOM 601 C ILE A 37 0.944 -2.857 -3.410 1.00 1.00 C ATOM 602 O ILE A 37 1.121 -1.904 -4.153 1.00 1.00 O ATOM 603 CB ILE A 37 -0.988 -2.326 -1.907 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.393 -1.936 -0.470 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.798 -3.547 -2.352 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.576 -0.958 -0.497 1.00 1.00 C ATOM 0 H ILE A 37 1.246 -0.661 -1.866 1.00 1.00 H new ATOM 0 HA ILE A 37 0.694 -3.579 -1.400 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.190 -1.488 -2.575 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.663 -2.829 0.094 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.546 -1.479 0.043 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.861 -3.311 -2.317 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.520 -3.817 -3.371 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.590 -4.384 -1.685 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.851 -0.691 0.523 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.292 -0.058 -1.043 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.426 -1.429 -0.991 1.00 1.00 H new ATOM 618 N TYR A 38 1.125 -4.089 -3.823 1.00 1.00 N ATOM 619 CA TYR A 38 1.545 -4.347 -5.234 1.00 1.00 C ATOM 620 C TYR A 38 0.311 -4.662 -6.081 1.00 1.00 C ATOM 621 O TYR A 38 -0.224 -5.752 -6.034 1.00 1.00 O ATOM 622 CB TYR A 38 2.507 -5.537 -5.280 1.00 1.00 C ATOM 623 CG TYR A 38 2.897 -5.812 -6.713 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.651 -4.871 -7.425 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.507 -7.007 -7.332 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.014 -5.124 -8.753 1.00 1.00 C ATOM 627 CE2 TYR A 38 2.870 -7.259 -8.660 1.00 1.00 C ATOM 628 CZ TYR A 38 3.624 -6.317 -9.371 1.00 1.00 C ATOM 629 OH TYR A 38 3.981 -6.565 -10.681 1.00 1.00 O ATOM 0 H TYR A 38 1.001 -4.921 -3.247 1.00 1.00 H new ATOM 0 HA TYR A 38 2.046 -3.462 -5.627 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.395 -5.324 -4.684 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.035 -6.418 -4.845 1.00 1.00 H new ATOM 0 HD1 TYR A 38 3.953 -3.950 -6.949 1.00 1.00 H new ATOM 0 HD2 TYR A 38 1.926 -7.734 -6.784 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.596 -4.398 -9.301 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.569 -8.180 -9.137 1.00 1.00 H new ATOM 0 HH TYR A 38 3.631 -7.438 -10.956 1.00 1.00 H new ATOM 639 N ALA A 39 -0.146 -3.717 -6.857 1.00 1.00 N ATOM 640 CA ALA A 39 -1.346 -3.963 -7.707 1.00 1.00 C ATOM 641 C ALA A 39 -1.367 -2.956 -8.858 1.00 1.00 C ATOM 642 O ALA A 39 -0.858 -1.859 -8.744 1.00 1.00 O ATOM 643 CB ALA A 39 -2.611 -3.801 -6.862 1.00 1.00 C ATOM 0 H ALA A 39 0.260 -2.785 -6.939 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.307 -4.975 -8.110 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.489 -3.981 -7.483 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.594 -4.518 -6.041 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.652 -2.789 -6.459 1.00 1.00 H new ATOM 649 N LEU A 40 -1.952 -3.318 -9.969 1.00 1.00 N ATOM 650 CA LEU A 40 -2.001 -2.377 -11.124 1.00 1.00 C ATOM 651 C LEU A 40 -3.223 -1.451 -10.968 1.00 1.00 C ATOM 652 O LEU A 40 -4.259 -1.863 -10.484 1.00 1.00 O ATOM 653 CB LEU A 40 -2.043 -3.193 -12.435 1.00 1.00 C ATOM 654 CG LEU A 40 -3.473 -3.331 -12.979 1.00 1.00 C ATOM 655 CD1 LEU A 40 -3.775 -2.162 -13.916 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.594 -4.642 -13.763 1.00 1.00 C ATOM 0 H LEU A 40 -2.397 -4.222 -10.126 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.112 -1.746 -11.155 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.415 -2.710 -13.184 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.624 -4.184 -12.259 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.178 -3.330 -12.148 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -4.789 -2.259 -14.303 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.683 -1.224 -13.369 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.068 -2.169 -14.746 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.608 -4.742 -14.150 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -2.888 -4.636 -14.593 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.373 -5.482 -13.104 1.00 1.00 H new ATOM 668 N PRO A 41 -3.094 -0.202 -11.349 1.00 1.00 N ATOM 669 CA PRO A 41 -4.193 0.798 -11.225 1.00 1.00 C ATOM 670 C PRO A 41 -5.575 0.226 -11.563 1.00 1.00 C ATOM 671 O PRO A 41 -6.498 0.304 -10.778 1.00 1.00 O ATOM 672 CB PRO A 41 -3.817 1.878 -12.241 1.00 1.00 C ATOM 673 CG PRO A 41 -2.334 1.777 -12.436 1.00 1.00 C ATOM 674 CD PRO A 41 -1.885 0.396 -11.937 1.00 1.00 C ATOM 0 HA PRO A 41 -4.280 1.156 -10.199 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.344 1.726 -13.183 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -4.094 2.867 -11.877 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -2.078 1.904 -13.488 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.822 2.566 -11.886 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.499 -0.214 -12.754 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.087 0.482 -11.199 1.00 1.00 H new ATOM 682 N GLY A 42 -5.726 -0.334 -12.729 1.00 1.00 N ATOM 683 CA GLY A 42 -7.054 -0.892 -13.120 1.00 1.00 C ATOM 684 C GLY A 42 -7.590 -1.803 -12.013 1.00 1.00 C ATOM 685 O GLY A 42 -8.705 -1.657 -11.569 1.00 1.00 O ATOM 0 H GLY A 42 -4.990 -0.431 -13.429 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.757 -0.080 -13.306 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.962 -1.453 -14.050 1.00 1.00 H new ATOM 689 N ARG A 43 -6.806 -2.743 -11.572 1.00 1.00 N ATOM 690 CA ARG A 43 -7.267 -3.672 -10.501 1.00 1.00 C ATOM 691 C ARG A 43 -7.575 -2.891 -9.218 1.00 1.00 C ATOM 692 O ARG A 43 -8.416 -3.283 -8.434 1.00 1.00 O ATOM 693 CB ARG A 43 -6.170 -4.700 -10.216 1.00 1.00 C ATOM 694 CG ARG A 43 -6.632 -5.644 -9.104 1.00 1.00 C ATOM 695 CD ARG A 43 -5.715 -6.867 -9.057 1.00 1.00 C ATOM 696 NE ARG A 43 -6.232 -7.836 -8.051 1.00 1.00 N ATOM 697 CZ ARG A 43 -5.852 -9.084 -8.090 1.00 1.00 C ATOM 698 NH1 ARG A 43 -5.020 -9.484 -9.013 1.00 1.00 N ATOM 699 NH2 ARG A 43 -6.304 -9.932 -7.208 1.00 1.00 N ATOM 0 H ARG A 43 -5.858 -2.911 -11.909 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.173 -4.178 -10.835 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.945 -5.267 -11.119 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.251 -4.194 -9.920 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -6.616 -5.127 -8.144 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.662 -5.955 -9.281 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -5.667 -7.337 -10.039 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -4.700 -6.564 -8.798 1.00 1.00 H new ATOM 0 HE ARG A 43 -6.884 -7.524 -7.331 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -4.667 -8.821 -9.703 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -4.723 -10.459 -9.044 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -6.955 -9.620 -6.487 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -6.007 -10.907 -7.239 1.00 1.00 H new ATOM 713 N VAL A 44 -6.902 -1.795 -8.991 1.00 1.00 N ATOM 714 CA VAL A 44 -7.165 -1.011 -7.750 1.00 1.00 C ATOM 715 C VAL A 44 -8.466 -0.225 -7.906 1.00 1.00 C ATOM 716 O VAL A 44 -9.392 -0.380 -7.135 1.00 1.00 O ATOM 717 CB VAL A 44 -6.005 -0.044 -7.501 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.247 0.721 -6.195 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.698 -0.835 -7.396 1.00 1.00 C ATOM 0 H VAL A 44 -6.186 -1.410 -9.607 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.256 -1.692 -6.904 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.937 0.664 -8.327 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.421 1.409 -6.018 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.178 1.283 -6.270 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.315 0.015 -5.367 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.870 -0.148 -7.219 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.766 -1.542 -6.569 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.526 -1.378 -8.325 1.00 1.00 H new ATOM 729 N LYS A 45 -8.549 0.611 -8.902 1.00 1.00 N ATOM 730 CA LYS A 45 -9.797 1.397 -9.110 1.00 1.00 C ATOM 731 C LYS A 45 -10.939 0.427 -9.409 1.00 1.00 C ATOM 732 O LYS A 45 -12.102 0.750 -9.271 1.00 1.00 O ATOM 733 CB LYS A 45 -9.611 2.353 -10.292 1.00 1.00 C ATOM 734 CG LYS A 45 -8.247 3.043 -10.187 1.00 1.00 C ATOM 735 CD LYS A 45 -8.042 3.965 -11.394 1.00 1.00 C ATOM 736 CE LYS A 45 -9.110 5.063 -11.401 1.00 1.00 C ATOM 737 NZ LYS A 45 -10.309 4.586 -12.147 1.00 1.00 N ATOM 0 H LYS A 45 -7.808 0.784 -9.581 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.026 1.978 -8.217 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -9.680 1.804 -11.231 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -10.407 3.098 -10.299 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.190 3.619 -9.263 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -7.453 2.297 -10.148 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.049 4.412 -11.356 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.096 3.387 -12.317 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -9.385 5.324 -10.379 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -8.715 5.966 -11.866 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -10.467 5.194 -12.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -10.156 3.606 -12.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -11.142 4.624 -11.526 1.00 1.00 H new ATOM 751 N ALA A 46 -10.606 -0.765 -9.822 1.00 1.00 N ATOM 752 CA ALA A 46 -11.648 -1.778 -10.141 1.00 1.00 C ATOM 753 C ALA A 46 -12.011 -2.552 -8.872 1.00 1.00 C ATOM 754 O ALA A 46 -13.056 -3.167 -8.786 1.00 1.00 O ATOM 755 CB ALA A 46 -11.094 -2.749 -11.188 1.00 1.00 C ATOM 0 H ALA A 46 -9.646 -1.082 -9.953 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.538 -1.283 -10.530 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.851 -3.496 -11.428 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.828 -2.198 -12.090 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.208 -3.245 -10.791 1.00 1.00 H new ATOM 761 N LEU A 47 -11.153 -2.534 -7.889 1.00 1.00 N ATOM 762 CA LEU A 47 -11.446 -3.276 -6.630 1.00 1.00 C ATOM 763 C LEU A 47 -12.490 -2.513 -5.807 1.00 1.00 C ATOM 764 O LEU A 47 -12.892 -2.954 -4.748 1.00 1.00 O ATOM 765 CB LEU A 47 -10.153 -3.426 -5.812 1.00 1.00 C ATOM 766 CG LEU A 47 -9.496 -4.782 -6.111 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.004 -4.715 -5.778 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.152 -5.874 -5.260 1.00 1.00 C ATOM 0 H LEU A 47 -10.262 -2.038 -7.903 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.838 -4.263 -6.876 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.464 -2.617 -6.055 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.375 -3.347 -4.748 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.626 -5.015 -7.168 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.540 -5.678 -5.991 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.530 -3.942 -6.384 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -7.877 -4.477 -4.722 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.683 -6.834 -5.475 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.026 -5.637 -4.204 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.215 -5.929 -5.495 1.00 1.00 H new ATOM 780 N CYS A 48 -12.937 -1.376 -6.281 1.00 1.00 N ATOM 781 CA CYS A 48 -13.960 -0.597 -5.516 1.00 1.00 C ATOM 782 C CYS A 48 -15.157 -0.297 -6.418 1.00 1.00 C ATOM 783 O CYS A 48 -16.102 0.352 -6.017 1.00 1.00 O ATOM 784 CB CYS A 48 -13.356 0.722 -5.027 1.00 1.00 C ATOM 785 SG CYS A 48 -14.413 1.411 -3.731 1.00 1.00 S ATOM 0 H CYS A 48 -12.639 -0.955 -7.161 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.284 -1.186 -4.658 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.350 0.555 -4.643 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.269 1.426 -5.855 1.00 1.00 H new ATOM 790 N LYS A 49 -15.127 -0.762 -7.635 1.00 1.00 N ATOM 791 CA LYS A 49 -16.262 -0.497 -8.560 1.00 1.00 C ATOM 792 C LYS A 49 -17.541 -1.140 -8.016 1.00 1.00 C ATOM 793 O LYS A 49 -17.511 -2.203 -7.430 1.00 1.00 O ATOM 794 CB LYS A 49 -15.939 -1.083 -9.937 1.00 1.00 C ATOM 795 CG LYS A 49 -15.941 -2.611 -9.858 1.00 1.00 C ATOM 796 CD LYS A 49 -15.279 -3.189 -11.110 1.00 1.00 C ATOM 797 CE LYS A 49 -15.581 -4.686 -11.204 1.00 1.00 C ATOM 798 NZ LYS A 49 -14.877 -5.262 -12.384 1.00 1.00 N ATOM 0 H LYS A 49 -14.365 -1.314 -8.029 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.414 0.579 -8.645 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.674 -0.746 -10.668 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.966 -0.728 -10.275 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.407 -2.940 -8.967 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -16.963 -2.980 -9.771 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.648 -2.677 -11.999 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.202 -3.026 -11.072 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -15.259 -5.191 -10.293 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -16.655 -4.846 -11.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -15.082 -6.280 -12.448 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -15.205 -4.788 -13.249 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -13.852 -5.122 -12.279 1.00 1.00 H new ATOM 812 N ASN A 50 -18.664 -0.503 -8.218 1.00 1.00 N ATOM 813 CA ASN A 50 -19.962 -1.063 -7.733 1.00 1.00 C ATOM 814 C ASN A 50 -20.076 -0.902 -6.210 1.00 1.00 C ATOM 815 O ASN A 50 -21.090 -1.225 -5.624 1.00 1.00 O ATOM 816 CB ASN A 50 -20.070 -2.550 -8.129 1.00 1.00 C ATOM 817 CG ASN A 50 -19.947 -3.450 -6.894 1.00 1.00 C ATOM 818 OD1 ASN A 50 -19.035 -3.301 -6.106 1.00 1.00 O ATOM 819 ND2 ASN A 50 -20.837 -4.384 -6.692 1.00 1.00 N ATOM 0 H ASN A 50 -18.739 0.391 -8.703 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.782 -0.515 -8.198 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -21.024 -2.731 -8.624 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.287 -2.798 -8.846 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -20.766 -4.988 -5.873 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.603 -4.510 -7.353 1.00 1.00 H new ATOM 826 N ILE A 51 -19.056 -0.407 -5.561 1.00 1.00 N ATOM 827 CA ILE A 51 -19.140 -0.236 -4.081 1.00 1.00 C ATOM 828 C ILE A 51 -19.934 1.034 -3.765 1.00 1.00 C ATOM 829 O ILE A 51 -20.316 1.777 -4.647 1.00 1.00 O ATOM 830 CB ILE A 51 -17.730 -0.124 -3.491 1.00 1.00 C ATOM 831 CG1 ILE A 51 -16.957 -1.430 -3.727 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.810 0.152 -1.987 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.727 -2.622 -3.143 1.00 1.00 C ATOM 0 H ILE A 51 -18.176 -0.116 -5.987 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.641 -1.099 -3.643 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.211 0.699 -3.982 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.800 -1.579 -4.795 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -15.971 -1.365 -3.266 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.803 0.230 -1.577 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.344 1.087 -1.817 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.340 -0.664 -1.495 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -17.165 -3.539 -3.319 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.861 -2.479 -2.071 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.702 -2.696 -3.624 1.00 1.00 H new ATOM 845 N ARG A 52 -20.190 1.282 -2.510 1.00 1.00 N ATOM 846 CA ARG A 52 -20.966 2.496 -2.127 1.00 1.00 C ATOM 847 C ARG A 52 -20.010 3.648 -1.810 1.00 1.00 C ATOM 848 O ARG A 52 -18.847 3.623 -2.160 1.00 1.00 O ATOM 849 CB ARG A 52 -21.816 2.185 -0.892 1.00 1.00 C ATOM 850 CG ARG A 52 -22.446 0.799 -1.041 1.00 1.00 C ATOM 851 CD ARG A 52 -23.460 0.574 0.083 1.00 1.00 C ATOM 852 NE ARG A 52 -23.761 -0.881 0.196 1.00 1.00 N ATOM 853 CZ ARG A 52 -22.944 -1.669 0.842 1.00 1.00 C ATOM 854 NH1 ARG A 52 -21.864 -1.180 1.388 1.00 1.00 N ATOM 855 NH2 ARG A 52 -23.208 -2.943 0.942 1.00 1.00 N ATOM 0 H ARG A 52 -19.894 0.694 -1.730 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.612 2.786 -2.956 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.199 2.221 0.006 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.594 2.939 -0.774 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -22.937 0.714 -2.010 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -21.673 0.031 -1.007 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -23.062 0.948 1.026 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -24.375 1.131 -0.121 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.605 -1.262 -0.231 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -21.659 -0.184 1.310 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -21.225 -1.794 1.893 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -24.053 -3.324 0.516 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -22.570 -3.558 1.447 1.00 1.00 H new ATOM 869 N ASP A 53 -20.500 4.661 -1.149 1.00 1.00 N ATOM 870 CA ASP A 53 -19.640 5.829 -0.804 1.00 1.00 C ATOM 871 C ASP A 53 -18.544 5.414 0.167 1.00 1.00 C ATOM 872 O ASP A 53 -18.003 4.329 0.100 1.00 1.00 O ATOM 873 CB ASP A 53 -20.503 6.915 -0.157 1.00 1.00 C ATOM 874 CG ASP A 53 -21.711 7.204 -1.049 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.567 7.112 -2.258 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.761 7.513 -0.509 1.00 1.00 O ATOM 0 H ASP A 53 -21.467 4.730 -0.831 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.178 6.210 -1.715 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.835 6.591 0.829 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -19.917 7.823 -0.014 1.00 1.00 H new ATOM 881 N ASN A 54 -18.205 6.297 1.053 1.00 1.00 N ATOM 882 CA ASN A 54 -17.123 6.008 2.035 1.00 1.00 C ATOM 883 C ASN A 54 -17.541 4.855 2.947 1.00 1.00 C ATOM 884 O ASN A 54 -18.478 4.959 3.715 1.00 1.00 O ATOM 885 CB ASN A 54 -16.862 7.255 2.882 1.00 1.00 C ATOM 886 CG ASN A 54 -18.184 7.770 3.453 1.00 1.00 C ATOM 887 OD1 ASN A 54 -19.021 8.265 2.725 1.00 1.00 O ATOM 888 ND2 ASN A 54 -18.408 7.674 4.735 1.00 1.00 N ATOM 0 H ASN A 54 -18.633 7.218 1.144 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.216 5.729 1.498 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.171 7.020 3.692 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.390 8.028 2.275 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -19.286 8.015 5.126 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -17.705 7.258 5.346 1.00 1.00 H new ATOM 895 N THR A 55 -16.840 3.757 2.867 1.00 1.00 N ATOM 896 CA THR A 55 -17.171 2.584 3.724 1.00 1.00 C ATOM 897 C THR A 55 -15.901 1.760 3.946 1.00 1.00 C ATOM 898 O THR A 55 -14.899 1.959 3.287 1.00 1.00 O ATOM 899 CB THR A 55 -18.232 1.722 3.030 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.125 2.561 2.311 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.012 0.921 4.075 1.00 1.00 C ATOM 0 H THR A 55 -16.047 3.622 2.240 1.00 1.00 H new ATOM 0 HA THR A 55 -17.562 2.924 4.683 1.00 1.00 H new ATOM 0 HB THR A 55 -17.744 1.033 2.341 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.803 2.011 1.865 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.765 0.310 3.577 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.327 0.276 4.625 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.501 1.606 4.768 1.00 1.00 H new ATOM 909 N ASP A 56 -15.931 0.842 4.872 1.00 1.00 N ATOM 910 CA ASP A 56 -14.721 0.013 5.143 1.00 1.00 C ATOM 911 C ASP A 56 -14.813 -1.309 4.379 1.00 1.00 C ATOM 912 O ASP A 56 -15.692 -2.113 4.617 1.00 1.00 O ATOM 913 CB ASP A 56 -14.627 -0.274 6.642 1.00 1.00 C ATOM 914 CG ASP A 56 -14.629 1.045 7.416 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.833 2.074 6.793 1.00 1.00 O ATOM 916 OD2 ASP A 56 -14.427 1.004 8.618 1.00 1.00 O ATOM 0 H ASP A 56 -16.741 0.629 5.454 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.834 0.556 4.816 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.466 -0.894 6.957 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.717 -0.834 6.859 1.00 1.00 H new ATOM 921 N VAL A 57 -13.903 -1.541 3.468 1.00 1.00 N ATOM 922 CA VAL A 57 -13.919 -2.815 2.690 1.00 1.00 C ATOM 923 C VAL A 57 -12.707 -3.661 3.091 1.00 1.00 C ATOM 924 O VAL A 57 -11.916 -3.268 3.925 1.00 1.00 O ATOM 925 CB VAL A 57 -13.864 -2.504 1.191 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.210 -1.931 0.743 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.761 -1.481 0.918 1.00 1.00 C ATOM 0 H VAL A 57 -13.147 -0.900 3.229 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.835 -3.366 2.904 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.652 -3.420 0.639 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.174 -1.709 -0.323 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.998 -2.659 0.935 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.419 -1.016 1.298 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.724 -1.262 -0.149 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -12.970 -0.565 1.470 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.801 -1.886 1.238 1.00 1.00 H new ATOM 937 N LEU A 58 -12.566 -4.826 2.522 1.00 1.00 N ATOM 938 CA LEU A 58 -11.415 -5.701 2.894 1.00 1.00 C ATOM 939 C LEU A 58 -11.182 -6.725 1.781 1.00 1.00 C ATOM 940 O LEU A 58 -12.116 -7.236 1.197 1.00 1.00 O ATOM 941 CB LEU A 58 -11.764 -6.406 4.213 1.00 1.00 C ATOM 942 CG LEU A 58 -10.789 -7.550 4.513 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.356 -7.029 4.540 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.120 -8.130 5.885 1.00 1.00 C ATOM 0 H LEU A 58 -13.195 -5.211 1.817 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.504 -5.117 3.021 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -11.742 -5.684 5.030 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.780 -6.797 4.160 1.00 1.00 H new ATOM 0 HG LEU A 58 -10.882 -8.311 3.738 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -8.674 -7.852 4.754 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -9.108 -6.595 3.571 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.260 -6.267 5.314 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.433 -8.946 6.111 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -11.021 -7.352 6.642 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.143 -8.507 5.884 1.00 1.00 H new ATOM 956 N SER A 59 -9.946 -7.028 1.468 1.00 1.00 N ATOM 957 CA SER A 59 -9.694 -8.015 0.380 1.00 1.00 C ATOM 958 C SER A 59 -10.452 -9.310 0.690 1.00 1.00 C ATOM 959 O SER A 59 -10.714 -9.632 1.829 1.00 1.00 O ATOM 960 CB SER A 59 -8.194 -8.298 0.271 1.00 1.00 C ATOM 961 OG SER A 59 -7.997 -9.625 -0.198 1.00 1.00 O ATOM 0 H SER A 59 -9.114 -6.640 1.913 1.00 1.00 H new ATOM 0 HA SER A 59 -10.043 -7.609 -0.570 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.727 -7.587 -0.410 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.717 -8.169 1.243 1.00 1.00 H new ATOM 0 HG SER A 59 -7.338 -9.621 -0.923 1.00 1.00 H new ATOM 967 N ARG A 60 -10.830 -10.042 -0.323 1.00 1.00 N ATOM 968 CA ARG A 60 -11.595 -11.303 -0.091 1.00 1.00 C ATOM 969 C ARG A 60 -10.633 -12.487 0.025 1.00 1.00 C ATOM 970 O ARG A 60 -11.048 -13.628 0.068 1.00 1.00 O ATOM 971 CB ARG A 60 -12.552 -11.538 -1.261 1.00 1.00 C ATOM 972 CG ARG A 60 -13.221 -10.218 -1.650 1.00 1.00 C ATOM 973 CD ARG A 60 -13.883 -9.596 -0.417 1.00 1.00 C ATOM 974 NE ARG A 60 -14.829 -8.529 -0.847 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.371 -7.409 -1.337 1.00 1.00 C ATOM 976 NH1 ARG A 60 -13.084 -7.226 -1.452 1.00 1.00 N ATOM 977 NH2 ARG A 60 -15.199 -6.474 -1.712 1.00 1.00 N ATOM 0 H ARG A 60 -10.643 -9.822 -1.301 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.161 -11.212 0.836 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.008 -11.946 -2.113 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -13.308 -12.273 -0.984 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -12.482 -9.532 -2.064 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -13.966 -10.391 -2.427 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.414 -10.361 0.149 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -13.124 -9.179 0.245 1.00 1.00 H new ATOM 0 HE ARG A 60 -15.835 -8.673 -0.759 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -12.437 -7.958 -1.159 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -12.725 -6.351 -1.835 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -16.205 -6.618 -1.622 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.841 -5.599 -2.095 1.00 1.00 H new ATOM 991 N ASP A 61 -9.355 -12.233 0.080 1.00 1.00 N ATOM 992 CA ASP A 61 -8.385 -13.358 0.194 1.00 1.00 C ATOM 993 C ASP A 61 -7.036 -12.831 0.678 1.00 1.00 C ATOM 994 O ASP A 61 -6.779 -12.754 1.863 1.00 1.00 O ATOM 995 CB ASP A 61 -8.212 -14.027 -1.172 1.00 1.00 C ATOM 996 CG ASP A 61 -9.403 -14.945 -1.451 1.00 1.00 C ATOM 997 OD1 ASP A 61 -9.726 -15.743 -0.587 1.00 1.00 O ATOM 998 OD2 ASP A 61 -9.973 -14.833 -2.523 1.00 1.00 O ATOM 0 H ASP A 61 -8.942 -11.301 0.051 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.764 -14.087 0.910 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -8.134 -13.269 -1.952 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.286 -14.601 -1.192 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.165 -12.477 -0.225 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.833 -11.970 0.201 1.00 1.00 C ATOM 1005 C ALA A 62 -4.240 -11.067 -0.881 1.00 1.00 C ATOM 1006 O ALA A 62 -4.739 -10.988 -1.986 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.899 -13.155 0.445 1.00 1.00 C ATOM 0 H ALA A 62 -6.317 -12.517 -1.233 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.947 -11.392 1.118 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.921 -12.789 0.758 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.315 -13.791 1.226 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.794 -13.731 -0.474 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.171 -10.387 -0.566 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.528 -9.486 -1.563 1.00 1.00 C ATOM 1015 C PHE A 63 -1.039 -9.361 -1.233 1.00 1.00 C ATOM 1016 O PHE A 63 -0.659 -9.202 -0.090 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.187 -8.102 -1.504 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.400 -8.074 -2.405 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.636 -8.532 -1.932 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.287 -7.591 -3.714 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.758 -8.507 -2.769 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.410 -7.566 -4.550 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.645 -8.024 -4.077 1.00 1.00 C ATOM 0 H PHE A 63 -2.713 -10.418 0.345 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.649 -9.897 -2.565 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.478 -7.871 -0.479 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.475 -7.337 -1.813 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.724 -8.904 -0.922 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.334 -7.238 -4.079 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.711 -8.861 -2.405 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.323 -7.193 -5.560 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.511 -8.005 -4.722 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.194 -9.440 -2.225 1.00 1.00 N ATOM 1034 CA LEU A 64 1.271 -9.331 -1.970 1.00 1.00 C ATOM 1035 C LEU A 64 1.651 -7.861 -1.795 1.00 1.00 C ATOM 1036 O LEU A 64 1.575 -7.079 -2.723 1.00 1.00 O ATOM 1037 CB LEU A 64 2.035 -9.916 -3.164 1.00 1.00 C ATOM 1038 CG LEU A 64 3.483 -10.254 -2.763 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.006 -11.393 -3.645 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.379 -9.023 -2.949 1.00 1.00 C ATOM 0 H LEU A 64 -0.455 -9.575 -3.202 1.00 1.00 H new ATOM 0 HA LEU A 64 1.527 -9.881 -1.064 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.531 -10.814 -3.521 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.036 -9.202 -3.988 1.00 1.00 H new ATOM 0 HG LEU A 64 3.499 -10.559 -1.717 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.031 -11.632 -3.361 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.378 -12.274 -3.512 1.00 1.00 H new ATOM 0 HD13 LEU A 64 3.982 -11.084 -4.690 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.401 -9.271 -2.663 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.359 -8.713 -3.994 1.00 1.00 H new ATOM 0 HD23 LEU A 64 4.014 -8.209 -2.322 1.00 1.00 H new ATOM 1052 N LEU A 65 2.056 -7.474 -0.613 1.00 1.00 N ATOM 1053 CA LEU A 65 2.441 -6.050 -0.390 1.00 1.00 C ATOM 1054 C LEU A 65 3.897 -5.965 0.088 1.00 1.00 C ATOM 1055 O LEU A 65 4.264 -6.580 1.069 1.00 1.00 O ATOM 1056 CB LEU A 65 1.548 -5.404 0.685 1.00 1.00 C ATOM 1057 CG LEU A 65 0.567 -6.410 1.276 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.122 -5.898 2.646 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.651 -6.530 0.351 1.00 1.00 C ATOM 0 H LEU A 65 2.136 -8.080 0.204 1.00 1.00 H new ATOM 0 HA LEU A 65 2.319 -5.523 -1.336 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.172 -4.993 1.479 1.00 1.00 H new ATOM 0 HB3 LEU A 65 0.997 -4.570 0.249 1.00 1.00 H new ATOM 0 HG LEU A 65 1.038 -7.388 1.377 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.582 -6.604 3.087 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.991 -5.797 3.296 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.361 -4.928 2.532 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.356 -7.249 0.769 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.135 -5.558 0.259 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.328 -6.869 -0.633 1.00 1.00 H new ATOM 1071 N PRO A 66 4.712 -5.174 -0.565 1.00 1.00 N ATOM 1072 CA PRO A 66 6.124 -4.980 -0.150 1.00 1.00 C ATOM 1073 C PRO A 66 6.176 -4.085 1.088 1.00 1.00 C ATOM 1074 O PRO A 66 5.343 -3.217 1.256 1.00 1.00 O ATOM 1075 CB PRO A 66 6.781 -4.299 -1.354 1.00 1.00 C ATOM 1076 CG PRO A 66 5.669 -3.642 -2.105 1.00 1.00 C ATOM 1077 CD PRO A 66 4.379 -4.387 -1.763 1.00 1.00 C ATOM 0 HA PRO A 66 6.628 -5.909 0.114 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.522 -3.567 -1.033 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.300 -5.025 -1.979 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.589 -2.591 -1.829 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.858 -3.676 -3.178 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.561 -3.694 -1.567 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.063 -5.030 -2.584 1.00 1.00 H new ATOM 1085 N GLN A 67 7.113 -4.287 1.972 1.00 1.00 N ATOM 1086 CA GLN A 67 7.149 -3.430 3.192 1.00 1.00 C ATOM 1087 C GLN A 67 8.592 -3.187 3.635 1.00 1.00 C ATOM 1088 O GLN A 67 9.470 -3.999 3.421 1.00 1.00 O ATOM 1089 CB GLN A 67 6.382 -4.122 4.325 1.00 1.00 C ATOM 1090 CG GLN A 67 5.153 -4.835 3.757 1.00 1.00 C ATOM 1091 CD GLN A 67 4.347 -5.452 4.902 1.00 1.00 C ATOM 1092 OE1 GLN A 67 4.749 -5.388 6.047 1.00 1.00 O ATOM 1093 NE2 GLN A 67 3.218 -6.052 4.639 1.00 1.00 N ATOM 0 H GLN A 67 7.844 -4.995 1.906 1.00 1.00 H new ATOM 0 HA GLN A 67 6.685 -2.471 2.959 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.029 -4.839 4.830 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.076 -3.388 5.071 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.535 -4.130 3.201 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.461 -5.610 3.056 1.00 1.00 H new ATOM 0 HE21 GLN A 67 2.881 -6.106 3.678 1.00 1.00 H new ATOM 0 HE22 GLN A 67 2.673 -6.467 5.395 1.00 1.00 H new ATOM 1102 N CYS A 68 8.832 -2.065 4.261 1.00 1.00 N ATOM 1103 CA CYS A 68 10.209 -1.739 4.737 1.00 1.00 C ATOM 1104 C CYS A 68 10.256 -1.835 6.264 1.00 1.00 C ATOM 1105 O CYS A 68 9.324 -1.456 6.945 1.00 1.00 O ATOM 1106 CB CYS A 68 10.557 -0.314 4.314 1.00 1.00 C ATOM 1107 SG CYS A 68 10.187 -0.108 2.558 1.00 1.00 S ATOM 0 H CYS A 68 8.128 -1.355 4.464 1.00 1.00 H new ATOM 0 HA CYS A 68 10.923 -2.441 4.305 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.987 0.403 4.905 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.612 -0.114 4.501 1.00 1.00 H new ATOM 1112 N ASP A 69 11.335 -2.339 6.808 1.00 1.00 N ATOM 1113 CA ASP A 69 11.436 -2.457 8.296 1.00 1.00 C ATOM 1114 C ASP A 69 12.828 -2.017 8.762 1.00 1.00 C ATOM 1115 O ASP A 69 13.824 -2.636 8.444 1.00 1.00 O ATOM 1116 CB ASP A 69 11.202 -3.913 8.705 1.00 1.00 C ATOM 1117 CG ASP A 69 11.404 -4.059 10.214 1.00 1.00 C ATOM 1118 OD1 ASP A 69 11.123 -3.107 10.924 1.00 1.00 O ATOM 1119 OD2 ASP A 69 11.837 -5.120 10.634 1.00 1.00 O ATOM 0 H ASP A 69 12.147 -2.673 6.289 1.00 1.00 H new ATOM 0 HA ASP A 69 10.684 -1.817 8.758 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.193 -4.221 8.431 1.00 1.00 H new ATOM 0 HB3 ASP A 69 11.891 -4.567 8.170 1.00 1.00 H new ATOM 1124 N ARG A 70 12.903 -0.954 9.521 1.00 1.00 N ATOM 1125 CA ARG A 70 14.228 -0.479 10.015 1.00 1.00 C ATOM 1126 C ARG A 70 14.825 -1.529 10.954 1.00 1.00 C ATOM 1127 O ARG A 70 14.114 -2.276 11.596 1.00 1.00 O ATOM 1128 CB ARG A 70 14.047 0.839 10.774 1.00 1.00 C ATOM 1129 CG ARG A 70 15.404 1.529 10.936 1.00 1.00 C ATOM 1130 CD ARG A 70 15.304 2.608 12.017 1.00 1.00 C ATOM 1131 NE ARG A 70 15.220 1.961 13.356 1.00 1.00 N ATOM 1132 CZ ARG A 70 14.916 2.672 14.407 1.00 1.00 C ATOM 1133 NH1 ARG A 70 14.685 3.950 14.286 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.843 2.105 15.580 1.00 1.00 N ATOM 0 H ARG A 70 12.104 -0.395 9.819 1.00 1.00 H new ATOM 0 HA ARG A 70 14.898 -0.322 9.169 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.359 1.490 10.234 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.605 0.649 11.752 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.165 0.798 11.207 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.712 1.975 9.990 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.173 3.265 11.972 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.425 3.230 11.846 1.00 1.00 H new ATOM 0 HE ARG A 70 15.400 0.962 13.451 1.00 1.00 H new ATOM 0 HH11 ARG A 70 14.742 4.394 13.369 1.00 1.00 H new ATOM 0 HH12 ARG A 70 14.447 4.505 15.108 1.00 1.00 H new ATOM 0 HH21 ARG A 70 15.024 1.106 15.676 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.605 2.661 16.401 1.00 1.00 H new ATOM 1148 N ILE A 71 16.126 -1.592 11.040 1.00 1.00 N ATOM 1149 CA ILE A 71 16.762 -2.595 11.938 1.00 1.00 C ATOM 1150 C ILE A 71 18.238 -2.245 12.136 1.00 1.00 C ATOM 1151 O ILE A 71 18.781 -2.404 13.211 1.00 1.00 O ATOM 1152 CB ILE A 71 16.649 -3.986 11.308 1.00 1.00 C ATOM 1153 CG1 ILE A 71 17.258 -5.024 12.256 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.405 -4.007 9.978 1.00 1.00 C ATOM 1155 CD1 ILE A 71 16.919 -6.430 11.757 1.00 1.00 C ATOM 0 H ILE A 71 16.774 -0.993 10.528 1.00 1.00 H new ATOM 0 HA ILE A 71 16.256 -2.588 12.903 1.00 1.00 H new ATOM 0 HB ILE A 71 15.599 -4.222 11.133 1.00 1.00 H new ATOM 0 HG12 ILE A 71 18.339 -4.895 12.307 1.00 1.00 H new ATOM 0 HG13 ILE A 71 16.872 -4.882 13.265 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.325 -4.997 9.529 1.00 1.00 H new ATOM 0 HG22 ILE A 71 16.975 -3.267 9.303 1.00 1.00 H new ATOM 0 HG23 ILE A 71 18.455 -3.772 10.153 1.00 1.00 H new ATOM 0 HD11 ILE A 71 17.352 -7.169 12.431 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.837 -6.555 11.728 1.00 1.00 H new ATOM 0 HD13 ILE A 71 17.327 -6.569 10.756 1.00 1.00 H new ATOM 1167 N LYS A 72 18.894 -1.775 11.106 1.00 1.00 N ATOM 1168 CA LYS A 72 20.339 -1.420 11.231 1.00 1.00 C ATOM 1169 C LYS A 72 20.582 -0.027 10.645 1.00 1.00 C ATOM 1170 O LYS A 72 19.739 0.531 9.972 1.00 1.00 O ATOM 1171 CB LYS A 72 21.179 -2.448 10.468 1.00 1.00 C ATOM 1172 CG LYS A 72 22.660 -2.066 10.549 1.00 1.00 C ATOM 1173 CD LYS A 72 23.523 -3.290 10.228 1.00 1.00 C ATOM 1174 CE LYS A 72 24.958 -2.841 9.943 1.00 1.00 C ATOM 1175 NZ LYS A 72 25.532 -2.206 11.162 1.00 1.00 N ATOM 0 H LYS A 72 18.490 -1.622 10.182 1.00 1.00 H new ATOM 0 HA LYS A 72 20.623 -1.421 12.283 1.00 1.00 H new ATOM 0 HB2 LYS A 72 21.026 -3.442 10.889 1.00 1.00 H new ATOM 0 HB3 LYS A 72 20.861 -2.491 9.426 1.00 1.00 H new ATOM 0 HG2 LYS A 72 22.877 -1.261 9.847 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.896 -1.693 11.546 1.00 1.00 H new ATOM 0 HD2 LYS A 72 23.508 -3.988 11.065 1.00 1.00 H new ATOM 0 HD3 LYS A 72 23.118 -3.818 9.365 1.00 1.00 H new ATOM 0 HE2 LYS A 72 25.565 -3.696 9.645 1.00 1.00 H new ATOM 0 HE3 LYS A 72 24.971 -2.136 9.112 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 26.558 -2.086 11.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 25.090 -1.277 11.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 25.350 -2.812 11.988 1.00 1.00 H new ATOM 1189 N LEU A 73 21.735 0.534 10.895 1.00 1.00 N ATOM 1190 CA LEU A 73 22.049 1.886 10.356 1.00 1.00 C ATOM 1191 C LEU A 73 20.927 2.861 10.743 1.00 1.00 C ATOM 1192 O LEU A 73 19.921 2.466 11.297 1.00 1.00 O ATOM 1193 CB LEU A 73 22.160 1.783 8.824 1.00 1.00 C ATOM 1194 CG LEU A 73 23.614 1.988 8.385 1.00 1.00 C ATOM 1195 CD1 LEU A 73 24.417 0.715 8.665 1.00 1.00 C ATOM 1196 CD2 LEU A 73 23.656 2.296 6.886 1.00 1.00 C ATOM 0 H LEU A 73 22.476 0.110 11.453 1.00 1.00 H new ATOM 0 HA LEU A 73 22.989 2.254 10.768 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.806 0.807 8.491 1.00 1.00 H new ATOM 0 HB3 LEU A 73 21.521 2.531 8.354 1.00 1.00 H new ATOM 0 HG LEU A 73 24.046 2.820 8.940 1.00 1.00 H new ATOM 0 HD11 LEU A 73 25.451 0.861 8.353 1.00 1.00 H new ATOM 0 HD12 LEU A 73 24.388 0.494 9.732 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.984 -0.117 8.110 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.690 2.442 6.573 1.00 1.00 H new ATOM 0 HD22 LEU A 73 23.223 1.464 6.331 1.00 1.00 H new ATOM 0 HD23 LEU A 73 23.085 3.202 6.685 1.00 1.00 H new ATOM 1208 N PRO A 74 21.096 4.129 10.448 1.00 1.00 N ATOM 1209 CA PRO A 74 20.080 5.169 10.763 1.00 1.00 C ATOM 1210 C PRO A 74 19.013 5.302 9.672 1.00 1.00 C ATOM 1211 O PRO A 74 17.877 5.636 9.943 1.00 1.00 O ATOM 1212 CB PRO A 74 20.916 6.444 10.856 1.00 1.00 C ATOM 1213 CG PRO A 74 22.042 6.238 9.891 1.00 1.00 C ATOM 1214 CD PRO A 74 22.281 4.722 9.797 1.00 1.00 C ATOM 0 HA PRO A 74 19.520 4.936 11.669 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.327 7.323 10.594 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.287 6.600 11.869 1.00 1.00 H new ATOM 0 HG2 PRO A 74 21.793 6.651 8.913 1.00 1.00 H new ATOM 0 HG3 PRO A 74 22.942 6.750 10.233 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.371 4.396 8.761 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.201 4.431 10.304 1.00 1.00 H new ATOM 1222 N CYS A 75 19.372 5.054 8.439 1.00 1.00 N ATOM 1223 CA CYS A 75 18.381 5.177 7.330 1.00 1.00 C ATOM 1224 C CYS A 75 18.410 3.919 6.458 1.00 1.00 C ATOM 1225 O CYS A 75 18.329 3.990 5.248 1.00 1.00 O ATOM 1226 CB CYS A 75 18.730 6.398 6.477 1.00 1.00 C ATOM 1227 SG CYS A 75 17.289 6.882 5.496 1.00 1.00 S ATOM 0 H CYS A 75 20.309 4.771 8.153 1.00 1.00 H new ATOM 0 HA CYS A 75 17.382 5.293 7.751 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.042 7.224 7.116 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.569 6.168 5.821 1.00 1.00 H new ATOM 1232 N HIS A 76 18.512 2.766 7.067 1.00 1.00 N ATOM 1233 CA HIS A 76 18.534 1.494 6.283 1.00 1.00 C ATOM 1234 C HIS A 76 17.306 0.662 6.658 1.00 1.00 C ATOM 1235 O HIS A 76 16.841 0.705 7.780 1.00 1.00 O ATOM 1236 CB HIS A 76 19.804 0.709 6.615 1.00 1.00 C ATOM 1237 CG HIS A 76 19.972 -0.415 5.630 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.203 -0.187 4.280 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.945 -1.780 5.779 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.305 -1.386 3.676 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.155 -2.386 4.546 1.00 1.00 N ATOM 0 H HIS A 76 18.581 2.650 8.078 1.00 1.00 H new ATOM 0 HA HIS A 76 18.520 1.717 5.216 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.671 1.369 6.581 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.744 0.312 7.629 1.00 1.00 H new ATOM 0 HD2 HIS A 76 19.785 -2.302 6.711 1.00 1.00 H new ATOM 0 HE1 HIS A 76 20.486 -1.521 2.620 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.188 -3.386 4.348 1.00 1.00 H new ATOM 1250 N TYR A 77 16.770 -0.089 5.730 1.00 1.00 N ATOM 1251 CA TYR A 77 15.565 -0.914 6.047 1.00 1.00 C ATOM 1252 C TYR A 77 15.712 -2.313 5.450 1.00 1.00 C ATOM 1253 O TYR A 77 16.543 -2.556 4.597 1.00 1.00 O ATOM 1254 CB TYR A 77 14.319 -0.248 5.459 1.00 1.00 C ATOM 1255 CG TYR A 77 14.471 1.253 5.499 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.114 1.920 4.449 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.964 1.978 6.583 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.251 3.312 4.484 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.099 3.371 6.618 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.743 4.038 5.568 1.00 1.00 C ATOM 1261 OH TYR A 77 14.874 5.410 5.601 1.00 1.00 O ATOM 0 H TYR A 77 17.112 -0.167 4.772 1.00 1.00 H new ATOM 0 HA TYR A 77 15.468 -0.993 7.130 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.169 -0.580 4.432 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.436 -0.548 6.023 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.504 1.360 3.612 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.469 1.463 7.393 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.748 3.826 3.675 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.707 3.931 7.454 1.00 1.00 H new ATOM 0 HH TYR A 77 15.621 5.653 6.186 1.00 1.00 H new ATOM 1271 N LYS A 78 14.892 -3.230 5.889 1.00 1.00 N ATOM 1272 CA LYS A 78 14.948 -4.619 5.354 1.00 1.00 C ATOM 1273 C LYS A 78 13.738 -4.841 4.447 1.00 1.00 C ATOM 1274 O LYS A 78 12.664 -4.324 4.695 1.00 1.00 O ATOM 1275 CB LYS A 78 14.909 -5.617 6.516 1.00 1.00 C ATOM 1276 CG LYS A 78 15.339 -7.006 6.026 1.00 1.00 C ATOM 1277 CD LYS A 78 16.864 -7.136 6.104 1.00 1.00 C ATOM 1278 CE LYS A 78 17.277 -8.546 5.676 1.00 1.00 C ATOM 1279 NZ LYS A 78 16.912 -9.516 6.746 1.00 1.00 N ATOM 0 H LYS A 78 14.180 -3.073 6.602 1.00 1.00 H new ATOM 0 HA LYS A 78 15.869 -4.765 4.789 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.570 -5.283 7.316 1.00 1.00 H new ATOM 0 HB3 LYS A 78 13.903 -5.664 6.933 1.00 1.00 H new ATOM 0 HG2 LYS A 78 14.868 -7.778 6.634 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.004 -7.159 5.000 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.337 -6.395 5.459 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.205 -6.938 7.120 1.00 1.00 H new ATOM 0 HE2 LYS A 78 16.782 -8.814 4.743 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.350 -8.581 5.489 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.420 -10.410 6.592 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.173 -9.125 7.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 15.887 -9.691 6.721 1.00 1.00 H new ATOM 1293 N LEU A 79 13.902 -5.595 3.394 1.00 1.00 N ATOM 1294 CA LEU A 79 12.760 -5.840 2.467 1.00 1.00 C ATOM 1295 C LEU A 79 11.935 -7.029 2.969 1.00 1.00 C ATOM 1296 O LEU A 79 12.450 -8.109 3.184 1.00 1.00 O ATOM 1297 CB LEU A 79 13.305 -6.140 1.063 1.00 1.00 C ATOM 1298 CG LEU A 79 12.342 -5.596 0.002 1.00 1.00 C ATOM 1299 CD1 LEU A 79 12.921 -5.851 -1.391 1.00 1.00 C ATOM 1300 CD2 LEU A 79 10.988 -6.301 0.130 1.00 1.00 C ATOM 0 H LEU A 79 14.777 -6.052 3.136 1.00 1.00 H new ATOM 0 HA LEU A 79 12.123 -4.956 2.429 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.289 -5.686 0.941 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.432 -7.215 0.935 1.00 1.00 H new ATOM 0 HG LEU A 79 12.208 -4.524 0.149 1.00 1.00 H new ATOM 0 HD11 LEU A 79 12.236 -5.464 -2.146 1.00 1.00 H new ATOM 0 HD12 LEU A 79 13.884 -5.348 -1.482 1.00 1.00 H new ATOM 0 HD13 LEU A 79 13.056 -6.923 -1.538 1.00 1.00 H new ATOM 0 HD21 LEU A 79 10.303 -5.914 -0.625 1.00 1.00 H new ATOM 0 HD22 LEU A 79 11.121 -7.373 -0.016 1.00 1.00 H new ATOM 0 HD23 LEU A 79 10.575 -6.119 1.122 1.00 1.00 H new ATOM 1312 N SER A 80 10.657 -6.837 3.154 1.00 1.00 N ATOM 1313 CA SER A 80 9.791 -7.951 3.637 1.00 1.00 C ATOM 1314 C SER A 80 8.411 -7.833 2.986 1.00 1.00 C ATOM 1315 O SER A 80 7.790 -6.790 3.014 1.00 1.00 O ATOM 1316 CB SER A 80 9.648 -7.863 5.157 1.00 1.00 C ATOM 1317 OG SER A 80 8.456 -8.529 5.556 1.00 1.00 O ATOM 0 H SER A 80 10.174 -5.954 2.991 1.00 1.00 H new ATOM 0 HA SER A 80 10.241 -8.908 3.371 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.512 -8.317 5.642 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.618 -6.820 5.471 1.00 1.00 H new ATOM 0 HG SER A 80 8.362 -8.476 6.530 1.00 1.00 H new ATOM 1323 N SER A 81 7.929 -8.894 2.395 1.00 1.00 N ATOM 1324 CA SER A 81 6.590 -8.844 1.738 1.00 1.00 C ATOM 1325 C SER A 81 5.845 -10.155 1.993 1.00 1.00 C ATOM 1326 O SER A 81 6.442 -11.173 2.283 1.00 1.00 O ATOM 1327 CB SER A 81 6.773 -8.644 0.231 1.00 1.00 C ATOM 1328 OG SER A 81 5.608 -8.032 -0.307 1.00 1.00 O ATOM 0 H SER A 81 8.405 -9.794 2.339 1.00 1.00 H new ATOM 0 HA SER A 81 6.013 -8.016 2.149 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.647 -8.021 0.039 1.00 1.00 H new ATOM 0 HB3 SER A 81 6.952 -9.603 -0.256 1.00 1.00 H new ATOM 0 HG SER A 81 4.920 -7.970 0.388 1.00 1.00 H new ATOM 1334 N SER A 82 4.545 -10.140 1.884 1.00 1.00 N ATOM 1335 CA SER A 82 3.764 -11.387 2.118 1.00 1.00 C ATOM 1336 C SER A 82 2.354 -11.214 1.568 1.00 1.00 C ATOM 1337 O SER A 82 1.927 -10.120 1.255 1.00 1.00 O ATOM 1338 CB SER A 82 3.699 -11.678 3.617 1.00 1.00 C ATOM 1339 OG SER A 82 5.011 -11.929 4.105 1.00 1.00 O ATOM 0 H SER A 82 3.990 -9.319 1.643 1.00 1.00 H new ATOM 0 HA SER A 82 4.251 -12.220 1.611 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.258 -10.832 4.144 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.058 -12.539 3.804 1.00 1.00 H new ATOM 0 HG SER A 82 5.601 -12.154 3.356 1.00 1.00 H new ATOM 1345 N THR A 83 1.633 -12.291 1.432 1.00 1.00 N ATOM 1346 CA THR A 83 0.262 -12.212 0.887 1.00 1.00 C ATOM 1347 C THR A 83 -0.755 -12.335 2.024 1.00 1.00 C ATOM 1348 O THR A 83 -0.803 -13.326 2.725 1.00 1.00 O ATOM 1349 CB THR A 83 0.088 -13.363 -0.099 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.054 -14.367 0.182 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.291 -12.849 -1.523 1.00 1.00 C ATOM 0 H THR A 83 1.944 -13.230 1.680 1.00 1.00 H new ATOM 0 HA THR A 83 0.101 -11.257 0.387 1.00 1.00 H new ATOM 0 HB THR A 83 -0.915 -13.779 -0.004 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.946 -15.110 -0.448 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.167 -13.671 -2.228 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.443 -12.073 -1.738 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.295 -12.436 -1.621 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.572 -11.335 2.207 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.592 -11.393 3.292 1.00 1.00 C ATOM 1361 C ASN A 84 -3.704 -10.385 2.999 1.00 1.00 C ATOM 1362 O ASN A 84 -3.502 -9.413 2.299 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.933 -11.053 4.630 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.095 -9.782 4.479 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -1.029 -9.208 3.410 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -0.447 -9.315 5.510 1.00 1.00 N ATOM 0 H ASN A 84 -1.578 -10.479 1.652 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.015 -12.396 3.341 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.695 -10.910 5.396 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.303 -11.880 4.957 1.00 1.00 H new ATOM 0 HD21 ASN A 84 0.115 -8.468 5.419 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -0.502 -9.796 6.408 1.00 1.00 H new ATOM 1373 N THR A 85 -4.881 -10.610 3.522 1.00 1.00 N ATOM 1374 CA THR A 85 -6.001 -9.668 3.273 1.00 1.00 C ATOM 1375 C THR A 85 -5.661 -8.314 3.902 1.00 1.00 C ATOM 1376 O THR A 85 -4.789 -8.215 4.742 1.00 1.00 O ATOM 1377 CB THR A 85 -7.270 -10.246 3.915 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.067 -11.626 4.188 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.458 -10.089 2.970 1.00 1.00 C ATOM 0 H THR A 85 -5.111 -11.410 4.112 1.00 1.00 H new ATOM 0 HA THR A 85 -6.162 -9.532 2.204 1.00 1.00 H new ATOM 0 HB THR A 85 -7.479 -9.708 4.840 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.268 -12.151 3.385 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.352 -10.503 3.437 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.616 -9.032 2.757 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.256 -10.620 2.040 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.324 -7.263 3.493 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.008 -5.922 4.066 1.00 1.00 C ATOM 1389 C ILE A 86 -7.274 -5.059 4.104 1.00 1.00 C ATOM 1390 O ILE A 86 -7.974 -4.912 3.118 1.00 1.00 O ATOM 1391 CB ILE A 86 -4.900 -5.251 3.217 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.485 -4.240 2.215 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.133 -6.321 2.434 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -6.341 -4.963 1.165 1.00 1.00 C ATOM 0 H ILE A 86 -7.065 -7.275 2.792 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.645 -6.032 5.088 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.237 -4.722 3.901 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.091 -3.504 2.743 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -4.678 -3.696 1.724 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.354 -5.847 1.837 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.678 -7.026 3.130 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.820 -6.853 1.776 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.748 -4.235 0.463 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -5.724 -5.682 0.625 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.159 -5.486 1.660 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.575 -4.484 5.240 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.787 -3.628 5.349 1.00 1.00 C ATOM 1408 C CYS A 87 -8.464 -2.243 4.795 1.00 1.00 C ATOM 1409 O CYS A 87 -7.418 -1.683 5.055 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.209 -3.524 6.821 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.441 -4.798 7.186 1.00 1.00 S ATOM 0 H CYS A 87 -7.030 -4.573 6.098 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.607 -4.064 4.778 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.341 -3.646 7.469 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.621 -2.535 7.023 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.348 -1.697 4.014 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.094 -0.354 3.425 1.00 1.00 C ATOM 1418 C ILE A 88 -10.437 0.354 3.216 1.00 1.00 C ATOM 1419 O ILE A 88 -11.456 -0.280 3.040 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.344 -0.529 2.088 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.880 0.442 1.031 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.525 -1.959 1.573 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.932 0.466 -0.174 1.00 1.00 C ATOM 0 H ILE A 88 -10.238 -2.122 3.756 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.480 0.253 4.090 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.289 -0.322 2.265 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.878 0.137 0.715 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.971 1.442 1.455 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.993 -2.076 0.629 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.126 -2.662 2.304 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.585 -2.159 1.419 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.315 1.157 -0.925 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.943 0.791 0.148 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.863 -0.534 -0.603 1.00 1.00 H new ATOM 1435 N THR A 89 -10.450 1.663 3.239 1.00 1.00 N ATOM 1436 CA THR A 89 -11.734 2.401 3.044 1.00 1.00 C ATOM 1437 C THR A 89 -11.755 3.008 1.639 1.00 1.00 C ATOM 1438 O THR A 89 -10.754 3.494 1.141 1.00 1.00 O ATOM 1439 CB THR A 89 -11.859 3.497 4.115 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.601 2.988 5.215 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.578 4.726 3.549 1.00 1.00 C ATOM 0 H THR A 89 -9.629 2.251 3.384 1.00 1.00 H new ATOM 0 HA THR A 89 -12.580 1.720 3.144 1.00 1.00 H new ATOM 0 HB THR A 89 -10.860 3.792 4.436 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.513 2.777 4.925 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.656 5.490 4.322 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.013 5.121 2.705 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.577 4.442 3.217 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.894 2.968 0.994 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.006 3.524 -0.387 1.00 1.00 C ATOM 1451 C CYS A 90 -14.330 4.278 -0.534 1.00 1.00 C ATOM 1452 O CYS A 90 -15.235 4.116 0.259 1.00 1.00 O ATOM 1453 CB CYS A 90 -12.967 2.370 -1.389 1.00 1.00 C ATOM 1454 SG CYS A 90 -13.394 2.981 -3.034 1.00 1.00 S ATOM 0 H CYS A 90 -13.756 2.571 1.368 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.180 4.210 -0.575 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -11.974 1.921 -1.403 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -13.665 1.589 -1.087 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.449 5.103 -1.544 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.710 5.873 -1.747 1.00 1.00 C ATOM 1461 C VAL A 91 -16.581 5.167 -2.798 1.00 1.00 C ATOM 1462 O VAL A 91 -16.631 3.954 -2.857 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.354 7.302 -2.198 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.989 7.325 -3.692 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -16.541 8.242 -1.935 1.00 1.00 C ATOM 0 H VAL A 91 -13.722 5.276 -2.239 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.275 5.926 -0.816 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.490 7.641 -1.626 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.741 8.344 -3.990 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -14.131 6.676 -3.867 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.837 6.971 -4.279 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -16.284 9.251 -2.256 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -17.411 7.895 -2.493 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -16.772 8.248 -0.870 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.274 5.912 -3.616 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.150 5.285 -4.648 1.00 1.00 C ATOM 1477 C ASN A 92 -17.376 4.238 -5.442 1.00 1.00 C ATOM 1478 O ASN A 92 -17.915 3.235 -5.865 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.664 6.367 -5.600 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.878 5.840 -6.369 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.857 5.763 -7.581 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.943 5.472 -5.710 1.00 1.00 N ATOM 0 H ASN A 92 -17.271 6.932 -3.614 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.988 4.798 -4.150 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.937 7.260 -5.038 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.877 6.656 -6.297 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.758 5.120 -6.213 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -20.961 5.537 -4.692 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.122 4.470 -5.647 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.292 3.499 -6.418 1.00 1.00 C ATOM 1491 C GLN A 93 -13.850 4.005 -6.500 1.00 1.00 C ATOM 1492 O GLN A 93 -13.212 3.929 -7.531 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.861 3.349 -7.833 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.211 4.729 -8.392 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.483 4.618 -9.893 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -17.581 4.873 -10.345 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -15.519 4.246 -10.692 1.00 1.00 N ATOM 0 H GLN A 93 -15.623 5.295 -5.314 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.308 2.532 -5.915 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.133 2.857 -8.479 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.749 2.717 -7.814 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.087 5.128 -7.881 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.392 5.425 -8.211 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -14.597 4.032 -10.313 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -15.689 4.170 -11.695 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.335 4.518 -5.416 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.932 5.034 -5.413 1.00 1.00 C ATOM 1508 C LEU A 94 -11.322 4.805 -4.018 1.00 1.00 C ATOM 1509 O LEU A 94 -11.769 5.382 -3.048 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.948 6.542 -5.718 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.835 6.780 -7.231 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.476 8.124 -7.589 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.360 6.799 -7.642 1.00 1.00 C ATOM 0 H LEU A 94 -13.827 4.603 -4.526 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.341 4.514 -6.167 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.869 6.987 -5.341 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.122 7.033 -5.203 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.350 5.977 -7.759 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -12.395 8.291 -8.663 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.527 8.114 -7.302 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -11.963 8.925 -7.057 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.284 6.968 -8.716 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -9.845 7.599 -7.111 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.900 5.843 -7.392 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.316 3.968 -3.909 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.662 3.675 -2.598 1.00 1.00 C ATOM 1527 C PRO A 95 -8.706 4.792 -2.172 1.00 1.00 C ATOM 1528 O PRO A 95 -7.900 5.254 -2.955 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.902 2.377 -2.868 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.567 2.418 -4.322 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.684 3.212 -5.008 1.00 1.00 C ATOM 0 HA PRO A 95 -10.381 3.595 -1.783 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -8.001 2.313 -2.258 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.512 1.506 -2.628 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.599 2.893 -4.483 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.500 1.410 -4.732 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.287 3.879 -5.773 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.398 2.552 -5.500 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.794 5.246 -0.944 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.893 6.347 -0.501 1.00 1.00 C ATOM 1541 C ILE A 96 -7.448 6.155 0.957 1.00 1.00 C ATOM 1542 O ILE A 96 -6.641 6.916 1.453 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.632 7.684 -0.650 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.833 7.728 0.307 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.134 7.830 -2.089 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.375 8.081 1.726 1.00 1.00 C ATOM 0 H ILE A 96 -9.446 4.903 -0.238 1.00 1.00 H new ATOM 0 HA ILE A 96 -6.998 6.339 -1.124 1.00 1.00 H new ATOM 0 HB ILE A 96 -7.948 8.498 -0.410 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.557 8.465 -0.042 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.338 6.762 0.311 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.659 8.779 -2.197 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.287 7.804 -2.774 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.814 7.011 -2.322 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.238 8.108 2.391 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.669 7.329 2.078 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -8.891 9.058 1.720 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.947 5.159 1.663 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.506 4.980 3.085 1.00 1.00 C ATOM 1560 C HIS A 97 -7.029 3.543 3.315 1.00 1.00 C ATOM 1561 O HIS A 97 -7.693 2.591 2.962 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.677 5.290 4.030 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.474 6.637 4.675 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.249 7.029 5.198 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.328 7.691 4.889 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.401 8.271 5.697 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.646 8.717 5.533 1.00 1.00 N ATOM 0 H HIS A 97 -8.626 4.478 1.323 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.681 5.663 3.288 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.615 5.281 3.475 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.752 4.518 4.796 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.369 7.719 4.601 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -6.612 8.835 6.171 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -9.020 9.622 5.820 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.880 3.387 3.922 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.348 2.020 4.200 1.00 1.00 C ATOM 1578 C PHE A 98 -5.599 1.680 5.669 1.00 1.00 C ATOM 1579 O PHE A 98 -4.937 2.183 6.555 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.842 1.992 3.924 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.283 0.644 4.313 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.605 -0.491 3.558 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.441 0.528 5.426 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -3.087 -1.741 3.918 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.923 -0.722 5.785 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.246 -1.856 5.031 1.00 1.00 C ATOM 0 H PHE A 98 -5.285 4.153 4.238 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.847 1.293 3.559 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.651 2.186 2.868 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.344 2.781 4.488 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -4.253 -0.402 2.698 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.191 1.403 6.008 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -3.336 -2.617 3.337 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.274 -0.811 6.644 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.846 -2.820 5.308 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.554 0.834 5.937 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.849 0.468 7.350 1.00 1.00 C ATOM 1598 C ALA A 99 -5.593 -0.117 8.003 1.00 1.00 C ATOM 1599 O ALA A 99 -5.006 0.477 8.886 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.975 -0.568 7.380 1.00 1.00 C ATOM 0 H ALA A 99 -7.143 0.380 5.239 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.158 1.357 7.900 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.193 -0.838 8.413 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.868 -0.148 6.918 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.666 -1.457 6.830 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.177 -1.278 7.576 1.00 1.00 N ATOM 1607 CA GLY A 100 -3.962 -1.900 8.174 1.00 1.00 C ATOM 1608 C GLY A 100 -3.673 -3.230 7.476 1.00 1.00 C ATOM 1609 O GLY A 100 -4.171 -3.499 6.401 1.00 1.00 O ATOM 0 H GLY A 100 -5.626 -1.822 6.839 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.109 -1.230 8.070 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.112 -2.062 9.241 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.871 -4.066 8.080 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.548 -5.380 7.454 1.00 1.00 C ATOM 1615 C VAL A 101 -3.486 -6.455 8.009 1.00 1.00 C ATOM 1616 O VAL A 101 -3.720 -6.532 9.199 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.100 -5.754 7.775 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.932 -5.901 9.288 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.754 -7.080 7.094 1.00 1.00 C ATOM 0 H VAL A 101 -2.425 -3.895 8.981 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.676 -5.309 6.374 1.00 1.00 H new ATOM 0 HB VAL A 101 -0.434 -4.971 7.411 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.100 -6.168 9.515 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.179 -4.958 9.775 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -1.598 -6.683 9.654 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.278 -7.348 7.322 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -1.421 -7.861 7.459 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.872 -6.977 6.015 1.00 1.00 H new ATOM 1629 N GLY A 102 -4.026 -7.283 7.157 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.949 -8.350 7.637 1.00 1.00 C ATOM 1631 C GLY A 102 -6.331 -7.752 7.900 1.00 1.00 C ATOM 1632 O GLY A 102 -6.557 -6.576 7.691 1.00 1.00 O ATOM 0 H GLY A 102 -3.868 -7.267 6.149 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -5.021 -9.144 6.894 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.557 -8.801 8.549 1.00 1.00 H new ATOM 1636 N SER A 103 -7.259 -8.550 8.355 1.00 1.00 N ATOM 1637 CA SER A 103 -8.625 -8.024 8.629 1.00 1.00 C ATOM 1638 C SER A 103 -8.542 -6.901 9.665 1.00 1.00 C ATOM 1639 O SER A 103 -7.667 -6.884 10.508 1.00 1.00 O ATOM 1640 CB SER A 103 -9.508 -9.151 9.167 1.00 1.00 C ATOM 1641 OG SER A 103 -8.925 -9.676 10.353 1.00 1.00 O ATOM 0 H SER A 103 -7.129 -9.543 8.548 1.00 1.00 H new ATOM 0 HA SER A 103 -9.056 -7.635 7.706 1.00 1.00 H new ATOM 0 HB2 SER A 103 -10.510 -8.776 9.375 1.00 1.00 H new ATOM 0 HB3 SER A 103 -9.611 -9.937 8.419 1.00 1.00 H new ATOM 0 HG SER A 103 -9.488 -10.398 10.703 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.447 -5.961 9.610 1.00 1.00 N ATOM 1648 CA CYS A 104 -9.421 -4.839 10.592 1.00 1.00 C ATOM 1649 C CYS A 104 -10.164 -5.263 11.863 1.00 1.00 C ATOM 1650 O CYS A 104 -11.031 -6.114 11.826 1.00 1.00 O ATOM 1651 CB CYS A 104 -10.106 -3.612 9.977 1.00 1.00 C ATOM 1652 SG CYS A 104 -11.408 -4.153 8.842 1.00 1.00 S ATOM 0 H CYS A 104 -10.204 -5.922 8.927 1.00 1.00 H new ATOM 0 HA CYS A 104 -8.390 -4.590 10.842 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -10.530 -2.987 10.763 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -9.375 -3.003 9.445 1.00 1.00 H new ATOM 1657 N PRO A 105 -9.830 -4.673 12.983 1.00 1.00 N ATOM 1658 CA PRO A 105 -10.481 -4.995 14.288 1.00 1.00 C ATOM 1659 C PRO A 105 -11.934 -4.512 14.340 1.00 1.00 C ATOM 1660 O PRO A 105 -12.603 -4.811 15.317 1.00 1.00 O ATOM 1661 CB PRO A 105 -9.625 -4.250 15.319 1.00 1.00 C ATOM 1662 CG PRO A 105 -8.988 -3.130 14.562 1.00 1.00 C ATOM 1663 CD PRO A 105 -8.796 -3.633 13.131 1.00 1.00 C ATOM 1664 OXT PRO A 105 -12.354 -3.853 13.403 1.00 1.00 O ATOM 0 HA PRO A 105 -10.529 -6.069 14.465 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -10.236 -3.874 16.140 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -8.874 -4.908 15.756 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -9.618 -2.241 14.580 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -8.033 -2.853 15.008 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -8.928 -2.832 12.404 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -7.796 -4.039 12.980 1.00 1.00 H new TER 1672 PRO A 105