USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.2) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -114:sc= 0.726 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.767 K(o=1.5,f=-0.12!) USER MOD Single : A 21 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.2!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.376 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.64) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.833 K(o=0.83,f=-0.4) USER MOD Single : A 56 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.21) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.516 2.277 -0.304 1.00 0.00 N ATOM 9 CA ALA A 12 1.864 3.678 -0.508 1.00 0.00 C ATOM 10 C ALA A 12 2.031 4.403 0.820 1.00 0.00 C ATOM 11 O ALA A 12 2.954 5.199 0.992 1.00 0.00 O ATOM 12 CB ALA A 12 0.810 4.367 -1.364 1.00 0.00 C ATOM 0 HA ALA A 12 2.819 3.715 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.084 5.412 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.748 3.872 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.158 4.311 -0.865 1.00 0.00 H new ATOM 18 N PRO A 13 1.133 4.124 1.758 1.00 0.00 N ATOM 19 CA PRO A 13 1.211 4.708 3.093 1.00 0.00 C ATOM 20 C PRO A 13 2.564 4.435 3.735 1.00 0.00 C ATOM 21 O PRO A 13 3.148 5.313 4.370 1.00 0.00 O ATOM 22 CB PRO A 13 0.064 4.043 3.859 1.00 0.00 C ATOM 23 CG PRO A 13 -0.921 3.668 2.805 1.00 0.00 C ATOM 24 CD PRO A 13 -0.094 3.236 1.623 1.00 0.00 C ATOM 0 HA PRO A 13 1.119 5.794 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.409 3.168 4.409 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.375 4.725 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.573 2.863 3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.563 4.511 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.161 2.177 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.614 3.399 0.679 1.00 0.00 H new ATOM 32 N GLY A 14 3.058 3.214 3.565 1.00 0.00 N ATOM 33 CA GLY A 14 4.353 2.828 4.115 1.00 0.00 C ATOM 34 C GLY A 14 5.491 3.552 3.403 1.00 0.00 C ATOM 35 O GLY A 14 6.465 3.964 4.033 1.00 0.00 O ATOM 0 H GLY A 14 2.581 2.474 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.382 3.058 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.486 1.751 4.018 1.00 0.00 H new ATOM 39 N ILE A 15 5.361 3.702 2.091 1.00 0.00 N ATOM 40 CA ILE A 15 6.361 4.405 1.297 1.00 0.00 C ATOM 41 C ILE A 15 6.454 5.871 1.702 1.00 0.00 C ATOM 42 O ILE A 15 7.547 6.413 1.863 1.00 0.00 O ATOM 43 CB ILE A 15 6.053 4.317 -0.209 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.229 2.880 -0.707 1.00 0.00 C ATOM 45 CG2 ILE A 15 6.944 5.269 -0.991 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.667 2.639 -2.088 1.00 0.00 C ATOM 0 H ILE A 15 4.571 3.345 1.553 1.00 0.00 H new ATOM 0 HA ILE A 15 7.316 3.916 1.491 1.00 0.00 H new ATOM 0 HB ILE A 15 5.016 4.611 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.291 2.634 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.746 2.201 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.713 5.194 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.770 6.291 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.989 5.006 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.830 1.599 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.598 2.852 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.167 3.292 -2.803 1.00 0.00 H new ATOM 58 N ILE A 16 5.299 6.509 1.865 1.00 0.00 N ATOM 59 CA ILE A 16 5.248 7.931 2.180 1.00 0.00 C ATOM 60 C ILE A 16 5.704 8.196 3.609 1.00 0.00 C ATOM 61 O ILE A 16 6.443 9.146 3.870 1.00 0.00 O ATOM 62 CB ILE A 16 3.831 8.502 1.989 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.446 8.492 0.507 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.743 9.911 2.555 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.985 8.789 0.253 1.00 0.00 C ATOM 0 H ILE A 16 4.386 6.062 1.784 1.00 0.00 H new ATOM 0 HA ILE A 16 5.926 8.430 1.488 1.00 0.00 H new ATOM 0 HB ILE A 16 3.128 7.870 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.054 9.227 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.687 7.516 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.734 10.299 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.975 9.891 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.456 10.555 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.790 8.764 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.369 8.040 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.741 9.777 0.643 1.00 0.00 H new ATOM 77 N LEU A 17 5.259 7.350 4.533 1.00 0.00 N ATOM 78 CA LEU A 17 5.654 7.466 5.931 1.00 0.00 C ATOM 79 C LEU A 17 7.159 7.286 6.095 1.00 0.00 C ATOM 80 O LEU A 17 7.806 8.030 6.833 1.00 0.00 O ATOM 81 CB LEU A 17 4.899 6.438 6.782 1.00 0.00 C ATOM 82 CG LEU A 17 5.203 6.484 8.285 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.848 7.854 8.848 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.422 5.390 8.996 1.00 0.00 C ATOM 0 H LEU A 17 4.624 6.576 4.338 1.00 0.00 H new ATOM 0 HA LEU A 17 5.396 8.468 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.829 6.588 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.133 5.440 6.411 1.00 0.00 H new ATOM 0 HG LEU A 17 6.268 6.315 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.067 7.877 9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.435 8.619 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.787 8.048 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.639 5.424 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.355 5.543 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.712 4.418 8.597 1.00 0.00 H new ATOM 96 N ARG A 18 7.710 6.295 5.403 1.00 0.00 N ATOM 97 CA ARG A 18 9.152 6.082 5.386 1.00 0.00 C ATOM 98 C ARG A 18 9.872 7.248 4.720 1.00 0.00 C ATOM 99 O ARG A 18 10.923 7.689 5.186 1.00 0.00 O ATOM 100 CB ARG A 18 9.529 4.755 4.744 1.00 0.00 C ATOM 101 CG ARG A 18 11.021 4.465 4.702 1.00 0.00 C ATOM 102 CD ARG A 18 11.369 3.122 4.172 1.00 0.00 C ATOM 103 NE ARG A 18 12.797 2.873 4.055 1.00 0.00 N ATOM 104 CZ ARG A 18 13.339 1.718 3.620 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.582 0.694 3.297 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.656 1.635 3.549 1.00 0.00 N ATOM 0 H ARG A 18 7.179 5.626 4.846 1.00 0.00 H new ATOM 0 HA ARG A 18 9.481 6.034 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.033 3.951 5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.142 4.738 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.509 5.222 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.426 4.561 5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.933 2.364 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.910 3.002 3.191 1.00 0.00 H new ATOM 0 HE ARG A 18 13.433 3.625 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.567 0.766 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.009 -0.173 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.233 2.432 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.096 0.774 3.224 1.00 0.00 H new ATOM 120 N TYR A 19 9.301 7.744 3.628 1.00 0.00 N ATOM 121 CA TYR A 19 9.842 8.911 2.942 1.00 0.00 C ATOM 122 C TYR A 19 9.956 10.101 3.887 1.00 0.00 C ATOM 123 O TYR A 19 11.006 10.737 3.974 1.00 0.00 O ATOM 124 CB TYR A 19 8.970 9.278 1.740 1.00 0.00 C ATOM 125 CG TYR A 19 9.312 10.615 1.119 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.413 10.754 0.288 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.531 11.735 1.368 1.00 0.00 C ATOM 128 CE1 TYR A 19 10.730 11.973 -0.281 1.00 0.00 C ATOM 129 CE2 TYR A 19 8.838 12.958 0.804 1.00 0.00 C ATOM 130 CZ TYR A 19 9.938 13.073 -0.019 1.00 0.00 C ATOM 131 OH TYR A 19 10.248 14.289 -0.584 1.00 0.00 O ATOM 0 H TYR A 19 8.462 7.355 3.198 1.00 0.00 H new ATOM 0 HA TYR A 19 10.842 8.657 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.068 8.501 0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.926 9.290 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.034 9.895 0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.669 11.649 2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.591 12.064 -0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.219 13.820 1.007 1.00 0.00 H new ATOM 0 HH TYR A 19 10.509 14.920 0.119 1.00 0.00 H new ATOM 141 N LEU A 20 8.870 10.395 4.593 1.00 0.00 N ATOM 142 CA LEU A 20 8.831 11.539 5.495 1.00 0.00 C ATOM 143 C LEU A 20 9.719 11.312 6.713 1.00 0.00 C ATOM 144 O LEU A 20 10.285 12.255 7.265 1.00 0.00 O ATOM 145 CB LEU A 20 7.387 11.821 5.933 1.00 0.00 C ATOM 146 CG LEU A 20 6.457 12.324 4.823 1.00 0.00 C ATOM 147 CD1 LEU A 20 5.020 12.366 5.325 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.908 13.703 4.365 1.00 0.00 C ATOM 0 H LEU A 20 8.005 9.856 4.558 1.00 0.00 H new ATOM 0 HA LEU A 20 9.214 12.406 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.966 10.907 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.404 12.560 6.734 1.00 0.00 H new ATOM 0 HG LEU A 20 6.503 11.641 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.367 12.725 4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.710 11.365 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.953 13.038 6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.246 14.059 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.874 14.395 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.928 13.644 3.984 1.00 0.00 H new ATOM 160 N GLN A 21 9.835 10.054 7.127 1.00 0.00 N ATOM 161 CA GLN A 21 10.650 9.702 8.283 1.00 0.00 C ATOM 162 C GLN A 21 12.134 9.872 7.983 1.00 0.00 C ATOM 163 O GLN A 21 12.881 10.423 8.791 1.00 0.00 O ATOM 164 CB GLN A 21 10.373 8.259 8.714 1.00 0.00 C ATOM 165 CG GLN A 21 11.144 7.818 9.946 1.00 0.00 C ATOM 166 CD GLN A 21 10.781 8.627 11.177 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.601 8.859 11.459 1.00 0.00 O ATOM 168 NE2 GLN A 21 11.793 9.065 11.916 1.00 0.00 N ATOM 0 H GLN A 21 9.375 9.262 6.679 1.00 0.00 H new ATOM 0 HA GLN A 21 10.382 10.378 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.306 8.148 8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.618 7.592 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.946 6.763 10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.213 7.912 9.755 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.753 8.850 11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.611 9.617 12.754 1.00 0.00 H new ATOM 177 N GLU A 22 12.554 9.396 6.816 1.00 0.00 N ATOM 178 CA GLU A 22 13.963 9.427 6.439 1.00 0.00 C ATOM 179 C GLU A 22 14.416 10.844 6.114 1.00 0.00 C ATOM 180 O GLU A 22 15.546 11.230 6.413 1.00 0.00 O ATOM 181 CB GLU A 22 14.217 8.505 5.243 1.00 0.00 C ATOM 182 CG GLU A 22 14.164 7.020 5.571 1.00 0.00 C ATOM 183 CD GLU A 22 14.425 6.182 4.350 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.496 6.733 3.279 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.666 5.007 4.501 1.00 0.00 O ATOM 0 H GLU A 22 11.939 8.984 6.114 1.00 0.00 H new ATOM 0 HA GLU A 22 14.544 9.072 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.479 8.721 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.195 8.737 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.902 6.788 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.186 6.771 5.984 1.00 0.00 H new ATOM 192 N GLN A 23 13.527 11.617 5.499 1.00 0.00 N ATOM 193 CA GLN A 23 13.823 13.004 5.160 1.00 0.00 C ATOM 194 C GLN A 23 13.705 13.907 6.382 1.00 0.00 C ATOM 195 O GLN A 23 14.458 14.869 6.530 1.00 0.00 O ATOM 196 CB GLN A 23 12.881 13.499 4.059 1.00 0.00 C ATOM 197 CG GLN A 23 13.066 12.802 2.722 1.00 0.00 C ATOM 198 CD GLN A 23 14.479 12.943 2.186 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.040 14.042 2.157 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.062 11.830 1.756 1.00 0.00 N ATOM 0 H GLN A 23 12.595 11.306 5.225 1.00 0.00 H new ATOM 0 HA GLN A 23 14.850 13.045 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.851 13.361 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.031 14.570 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.825 11.744 2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.363 13.216 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.561 10.943 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.011 11.863 1.383 1.00 0.00 H new ATOM 209 N ASN A 24 12.753 13.591 7.254 1.00 0.00 N ATOM 210 CA ASN A 24 12.533 14.374 8.465 1.00 0.00 C ATOM 211 C ASN A 24 12.190 15.820 8.131 1.00 0.00 C ATOM 212 O ASN A 24 12.559 16.740 8.860 1.00 0.00 O ATOM 213 CB ASN A 24 13.738 14.320 9.386 1.00 0.00 C ATOM 214 CG ASN A 24 13.424 14.671 10.814 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.303 14.462 11.293 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.380 15.278 11.471 1.00 0.00 N ATOM 0 H ASN A 24 12.121 12.798 7.145 1.00 0.00 H new ATOM 0 HA ASN A 24 11.685 13.930 8.986 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.165 13.318 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.501 15.003 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.217 15.603 12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.288 15.426 11.030 1.00 0.00 H new ATOM 223 N ARG A 25 11.480 16.014 7.024 1.00 0.00 N ATOM 224 CA ARG A 25 11.110 17.351 6.576 1.00 0.00 C ATOM 225 C ARG A 25 9.686 17.376 6.034 1.00 0.00 C ATOM 226 O ARG A 25 9.198 16.382 5.498 1.00 0.00 O ATOM 227 CB ARG A 25 12.100 17.912 5.565 1.00 0.00 C ATOM 228 CG ARG A 25 13.501 18.148 6.105 1.00 0.00 C ATOM 229 CD ARG A 25 13.604 19.274 7.069 1.00 0.00 C ATOM 230 NE ARG A 25 14.963 19.600 7.471 1.00 0.00 N ATOM 231 CZ ARG A 25 15.629 18.998 8.477 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.056 18.068 9.208 1.00 0.00 N ATOM 233 NH2 ARG A 25 16.868 19.386 8.725 1.00 0.00 N ATOM 0 H ARG A 25 11.149 15.261 6.421 1.00 0.00 H new ATOM 0 HA ARG A 25 11.147 18.003 7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.163 17.226 4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.710 18.855 5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.849 17.236 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.173 18.339 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.148 20.159 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.024 19.028 7.959 1.00 0.00 H new ATOM 0 HE ARG A 25 15.446 20.336 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.093 17.791 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.575 17.623 9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.294 20.122 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.398 18.950 9.480 1.00 0.00 H new ATOM 247 N PRO A 26 9.023 18.519 6.179 1.00 0.00 N ATOM 248 CA PRO A 26 7.674 18.693 5.657 1.00 0.00 C ATOM 249 C PRO A 26 7.683 18.822 4.139 1.00 0.00 C ATOM 250 O PRO A 26 8.509 19.538 3.573 1.00 0.00 O ATOM 251 CB PRO A 26 7.169 19.967 6.341 1.00 0.00 C ATOM 252 CG PRO A 26 8.402 20.766 6.595 1.00 0.00 C ATOM 253 CD PRO A 26 9.478 19.756 6.894 1.00 0.00 C ATOM 0 HA PRO A 26 7.029 17.839 5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.469 20.508 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.645 19.739 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.663 21.373 5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.262 21.450 7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.451 20.090 6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.577 19.584 7.966 1.00 0.00 H new ATOM 261 N TYR A 27 6.759 18.125 3.485 1.00 0.00 N ATOM 262 CA TYR A 27 6.600 18.231 2.041 1.00 0.00 C ATOM 263 C TYR A 27 5.131 18.356 1.656 1.00 0.00 C ATOM 264 O TYR A 27 4.255 17.816 2.331 1.00 0.00 O ATOM 265 CB TYR A 27 7.225 17.021 1.343 1.00 0.00 C ATOM 266 CG TYR A 27 8.723 16.912 1.529 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.594 17.595 0.694 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.260 16.125 2.536 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.962 17.501 0.859 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.627 16.022 2.710 1.00 0.00 C ATOM 271 CZ TYR A 27 11.474 16.711 1.868 1.00 0.00 C ATOM 272 OH TYR A 27 12.838 16.612 2.036 1.00 0.00 O ATOM 0 H TYR A 27 6.109 17.480 3.934 1.00 0.00 H new ATOM 0 HA TYR A 27 7.116 19.134 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.755 16.113 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.004 17.075 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.196 18.211 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.599 15.583 3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.627 18.042 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.029 15.406 3.500 1.00 0.00 H new ATOM 0 HH TYR A 27 13.265 17.445 1.744 1.00 0.00 H new ATOM 282 N SER A 28 4.869 19.069 0.566 1.00 0.00 N ATOM 283 CA SER A 28 3.516 19.189 0.036 1.00 0.00 C ATOM 284 C SER A 28 3.052 17.879 -0.590 1.00 0.00 C ATOM 285 O SER A 28 3.866 17.025 -0.938 1.00 0.00 O ATOM 286 CB SER A 28 3.450 20.313 -0.980 1.00 0.00 C ATOM 287 OG SER A 28 4.183 20.019 -2.138 1.00 0.00 O ATOM 0 H SER A 28 5.577 19.573 0.032 1.00 0.00 H new ATOM 0 HA SER A 28 2.846 19.421 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.410 20.499 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.833 21.230 -0.532 1.00 0.00 H new ATOM 0 HG SER A 28 4.114 20.767 -2.768 1.00 0.00 H new ATOM 293 N ALA A 29 1.739 17.729 -0.730 1.00 0.00 N ATOM 294 CA ALA A 29 1.169 16.576 -1.416 1.00 0.00 C ATOM 295 C ALA A 29 1.762 16.418 -2.811 1.00 0.00 C ATOM 296 O ALA A 29 1.954 15.300 -3.291 1.00 0.00 O ATOM 297 CB ALA A 29 -0.345 16.700 -1.492 1.00 0.00 C ATOM 0 H ALA A 29 1.049 18.392 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 29 1.419 15.684 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.756 15.832 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.757 16.753 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.609 17.605 -2.039 1.00 0.00 H new ATOM 303 N GLN A 30 2.050 17.542 -3.458 1.00 0.00 N ATOM 304 CA GLN A 30 2.606 17.530 -4.805 1.00 0.00 C ATOM 305 C GLN A 30 4.077 17.133 -4.791 1.00 0.00 C ATOM 306 O GLN A 30 4.547 16.422 -5.678 1.00 0.00 O ATOM 307 CB GLN A 30 2.448 18.904 -5.463 1.00 0.00 C ATOM 308 CG GLN A 30 1.012 19.277 -5.786 1.00 0.00 C ATOM 309 CD GLN A 30 0.896 20.666 -6.385 1.00 0.00 C ATOM 310 OE1 GLN A 30 1.886 21.395 -6.493 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.318 21.044 -6.772 1.00 0.00 N ATOM 0 H GLN A 30 1.907 18.474 -3.070 1.00 0.00 H new ATOM 0 HA GLN A 30 2.054 16.789 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.869 19.662 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.033 18.923 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.598 18.548 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.413 19.225 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.109 20.409 -6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.459 21.969 -7.177 1.00 0.00 H new ATOM 320 N ASP A 31 4.801 17.598 -3.777 1.00 0.00 N ATOM 321 CA ASP A 31 6.213 17.270 -3.631 1.00 0.00 C ATOM 322 C ASP A 31 6.405 15.797 -3.295 1.00 0.00 C ATOM 323 O ASP A 31 7.322 15.150 -3.799 1.00 0.00 O ATOM 324 CB ASP A 31 6.858 18.144 -2.552 1.00 0.00 C ATOM 325 CG ASP A 31 7.095 19.588 -2.970 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.166 19.840 -4.150 1.00 0.00 O ATOM 327 OD2 ASP A 31 7.048 20.447 -2.123 1.00 0.00 O ATOM 0 H ASP A 31 4.431 18.204 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 31 6.701 17.468 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.222 18.135 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.811 17.701 -2.265 1.00 0.00 H new ATOM 332 N VAL A 32 5.533 15.272 -2.441 1.00 0.00 N ATOM 333 CA VAL A 32 5.568 13.859 -2.082 1.00 0.00 C ATOM 334 C VAL A 32 5.285 12.976 -3.290 1.00 0.00 C ATOM 335 O VAL A 32 6.015 12.023 -3.559 1.00 0.00 O ATOM 336 CB VAL A 32 4.552 13.534 -0.971 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.449 12.029 -0.769 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.947 14.218 0.329 1.00 0.00 C ATOM 0 H VAL A 32 4.793 15.804 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 32 6.573 13.653 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 32 3.576 13.910 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.727 11.816 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.122 11.559 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.424 11.632 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.218 13.977 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.933 13.870 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.974 15.297 0.179 1.00 0.00 H new ATOM 348 N PHE A 33 4.221 13.301 -4.016 1.00 0.00 N ATOM 349 CA PHE A 33 3.892 12.597 -5.250 1.00 0.00 C ATOM 350 C PHE A 33 5.034 12.684 -6.254 1.00 0.00 C ATOM 351 O PHE A 33 5.485 11.668 -6.785 1.00 0.00 O ATOM 352 CB PHE A 33 2.609 13.162 -5.862 1.00 0.00 C ATOM 353 CG PHE A 33 2.386 12.750 -7.289 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.030 11.447 -7.604 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.533 13.665 -8.322 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.824 11.068 -8.917 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.328 13.289 -9.635 1.00 0.00 C ATOM 358 CZ PHE A 33 1.974 11.988 -9.932 1.00 0.00 C ATOM 0 H PHE A 33 3.571 14.048 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 33 3.734 11.547 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.758 12.838 -5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.640 14.250 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.912 10.720 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.811 14.684 -8.096 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.545 10.050 -9.148 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.445 14.012 -10.429 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.815 11.692 -10.958 1.00 0.00 H new ATOM 368 N GLY A 34 5.498 13.902 -6.511 1.00 0.00 N ATOM 369 CA GLY A 34 6.486 14.141 -7.556 1.00 0.00 C ATOM 370 C GLY A 34 7.723 13.277 -7.352 1.00 0.00 C ATOM 371 O GLY A 34 8.235 12.675 -8.296 1.00 0.00 O ATOM 0 H GLY A 34 5.205 14.740 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.047 13.928 -8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.770 15.193 -7.558 1.00 0.00 H new ATOM 375 N ASN A 35 8.201 13.220 -6.114 1.00 0.00 N ATOM 376 CA ASN A 35 9.427 12.496 -5.797 1.00 0.00 C ATOM 377 C ASN A 35 9.195 10.990 -5.806 1.00 0.00 C ATOM 378 O ASN A 35 10.058 10.222 -6.231 1.00 0.00 O ATOM 379 CB ASN A 35 10.000 12.931 -4.461 1.00 0.00 C ATOM 380 CG ASN A 35 10.638 14.292 -4.490 1.00 0.00 C ATOM 381 OD1 ASN A 35 11.008 14.804 -5.553 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.843 14.845 -3.322 1.00 0.00 N ATOM 0 H ASN A 35 7.757 13.667 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 35 10.153 12.738 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.204 12.929 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.741 12.199 -4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.328 15.740 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.517 14.381 -2.474 1.00 0.00 H new ATOM 389 N LEU A 36 8.024 10.575 -5.334 1.00 0.00 N ATOM 390 CA LEU A 36 7.697 9.158 -5.239 1.00 0.00 C ATOM 391 C LEU A 36 7.071 8.650 -6.531 1.00 0.00 C ATOM 392 O LEU A 36 6.790 7.459 -6.670 1.00 0.00 O ATOM 393 CB LEU A 36 6.753 8.910 -4.056 1.00 0.00 C ATOM 394 CG LEU A 36 7.319 9.281 -2.679 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.272 9.038 -1.600 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.573 8.460 -2.408 1.00 0.00 C ATOM 0 H LEU A 36 7.286 11.201 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 36 8.623 8.607 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.836 9.476 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.478 7.855 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 36 7.581 10.339 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.684 9.304 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.393 9.650 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.989 7.985 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.976 8.723 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.324 7.399 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.318 8.670 -3.175 1.00 0.00 H new ATOM 408 N GLN A 37 6.855 9.559 -7.476 1.00 0.00 N ATOM 409 CA GLN A 37 6.404 9.184 -8.811 1.00 0.00 C ATOM 410 C GLN A 37 7.514 8.498 -9.596 1.00 0.00 C ATOM 411 O GLN A 37 7.274 7.526 -10.311 1.00 0.00 O ATOM 412 CB GLN A 37 5.916 10.417 -9.577 1.00 0.00 C ATOM 413 CG GLN A 37 5.399 10.117 -10.973 1.00 0.00 C ATOM 414 CD GLN A 37 4.997 11.374 -11.723 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.193 12.492 -11.239 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.427 11.196 -12.910 1.00 0.00 N ATOM 0 H GLN A 37 6.985 10.562 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 37 5.578 8.482 -8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.123 10.897 -9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.735 11.133 -9.651 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.169 9.591 -11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.541 9.448 -10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.285 10.253 -13.271 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.132 12.003 -13.460 1.00 0.00 H new ATOM 425 N LYS A 38 8.733 9.011 -9.457 1.00 0.00 N ATOM 426 CA LYS A 38 9.880 8.462 -10.170 1.00 0.00 C ATOM 427 C LYS A 38 10.630 7.450 -9.312 1.00 0.00 C ATOM 428 O LYS A 38 11.338 6.587 -9.829 1.00 0.00 O ATOM 429 CB LYS A 38 10.825 9.582 -10.608 1.00 0.00 C ATOM 430 CG LYS A 38 10.225 10.554 -11.615 1.00 0.00 C ATOM 431 CD LYS A 38 11.232 11.618 -12.025 1.00 0.00 C ATOM 432 CE LYS A 38 10.635 12.586 -13.037 1.00 0.00 C ATOM 433 NZ LYS A 38 11.601 13.646 -13.431 1.00 0.00 N ATOM 0 H LYS A 38 8.951 9.806 -8.857 1.00 0.00 H new ATOM 0 HA LYS A 38 9.506 7.948 -11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.141 10.140 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.721 9.136 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.891 10.007 -12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.345 11.031 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.562 12.168 -11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.114 11.141 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.320 12.035 -13.923 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.743 13.048 -12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.155 14.283 -14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.883 14.189 -12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.442 13.208 -13.858 1.00 0.00 H new ATOM 447 N GLU A 39 10.468 7.562 -7.998 1.00 0.00 N ATOM 448 CA GLU A 39 11.191 6.710 -7.061 1.00 0.00 C ATOM 449 C GLU A 39 10.536 5.340 -6.945 1.00 0.00 C ATOM 450 O GLU A 39 11.210 4.312 -7.014 1.00 0.00 O ATOM 451 CB GLU A 39 11.270 7.374 -5.685 1.00 0.00 C ATOM 452 CG GLU A 39 12.211 6.683 -4.707 1.00 0.00 C ATOM 453 CD GLU A 39 13.615 6.634 -5.242 1.00 0.00 C ATOM 454 OE1 GLU A 39 14.089 7.642 -5.706 1.00 0.00 O ATOM 455 OE2 GLU A 39 14.253 5.619 -5.085 1.00 0.00 O ATOM 0 H GLU A 39 9.841 8.235 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 39 12.201 6.573 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.592 8.408 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.271 7.402 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.201 7.212 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.858 5.670 -4.513 1.00 0.00 H new ATOM 462 N HIS A 40 9.219 5.332 -6.768 1.00 0.00 N ATOM 463 CA HIS A 40 8.484 4.093 -6.542 1.00 0.00 C ATOM 464 C HIS A 40 7.427 3.876 -7.617 1.00 0.00 C ATOM 465 O HIS A 40 7.158 2.743 -8.017 1.00 0.00 O ATOM 466 CB HIS A 40 7.830 4.098 -5.157 1.00 0.00 C ATOM 467 CG HIS A 40 8.810 4.025 -4.028 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.344 5.149 -3.434 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.353 2.964 -3.386 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.175 4.781 -2.472 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.198 3.462 -2.424 1.00 0.00 N ATOM 0 H HIS A 40 8.638 6.171 -6.777 1.00 0.00 H new ATOM 0 HA HIS A 40 9.198 3.271 -6.592 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.233 5.004 -5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.144 3.254 -5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.158 1.922 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.738 5.446 -1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.754 2.903 -1.777 1.00 0.00 H new ATOM 479 N GLY A 41 6.830 4.968 -8.081 1.00 0.00 N ATOM 480 CA GLY A 41 5.842 4.905 -9.151 1.00 0.00 C ATOM 481 C GLY A 41 4.429 5.062 -8.606 1.00 0.00 C ATOM 482 O GLY A 41 3.477 4.500 -9.149 1.00 0.00 O ATOM 0 H GLY A 41 7.013 5.909 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.042 5.689 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.929 3.953 -9.674 1.00 0.00 H new ATOM 486 N LEU A 42 4.296 5.828 -7.529 1.00 0.00 N ATOM 487 CA LEU A 42 2.997 6.062 -6.909 1.00 0.00 C ATOM 488 C LEU A 42 2.174 7.057 -7.715 1.00 0.00 C ATOM 489 O LEU A 42 2.699 8.051 -8.215 1.00 0.00 O ATOM 490 CB LEU A 42 3.179 6.560 -5.470 1.00 0.00 C ATOM 491 CG LEU A 42 3.836 5.559 -4.511 1.00 0.00 C ATOM 492 CD1 LEU A 42 3.969 6.176 -3.124 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.005 4.286 -4.456 1.00 0.00 C ATOM 0 H LEU A 42 5.074 6.298 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 42 2.455 5.116 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.781 7.468 -5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.202 6.834 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 42 4.834 5.311 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.436 5.458 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.585 7.073 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.981 6.438 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.473 3.575 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.001 4.522 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.945 3.847 -5.452 1.00 0.00 H new ATOM 505 N GLY A 43 0.879 6.785 -7.838 1.00 0.00 N ATOM 506 CA GLY A 43 -0.019 7.653 -8.589 1.00 0.00 C ATOM 507 C GLY A 43 -0.554 8.780 -7.716 1.00 0.00 C ATOM 508 O GLY A 43 -0.327 8.802 -6.507 1.00 0.00 O ATOM 0 H GLY A 43 0.428 5.968 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.509 8.072 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.850 7.068 -8.982 1.00 0.00 H new ATOM 512 N LYS A 44 -1.263 9.717 -8.337 1.00 0.00 N ATOM 513 CA LYS A 44 -1.795 10.873 -7.625 1.00 0.00 C ATOM 514 C LYS A 44 -2.830 10.453 -6.588 1.00 0.00 C ATOM 515 O LYS A 44 -2.795 10.907 -5.445 1.00 0.00 O ATOM 516 CB LYS A 44 -2.411 11.871 -8.608 1.00 0.00 C ATOM 517 CG LYS A 44 -1.399 12.594 -9.487 1.00 0.00 C ATOM 518 CD LYS A 44 -2.083 13.581 -10.421 1.00 0.00 C ATOM 519 CE LYS A 44 -1.075 14.285 -11.317 1.00 0.00 C ATOM 520 NZ LYS A 44 -1.733 15.236 -12.253 1.00 0.00 N ATOM 0 H LYS A 44 -1.483 9.698 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.967 11.354 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.118 11.343 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.981 12.611 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.681 13.122 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.837 11.866 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.814 13.056 -11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.630 14.320 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.355 14.823 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.516 13.543 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.012 15.695 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.402 14.720 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.246 15.959 -11.709 1.00 0.00 H new ATOM 534 N ALA A 45 -3.748 9.584 -6.994 1.00 0.00 N ATOM 535 CA ALA A 45 -4.769 9.069 -6.089 1.00 0.00 C ATOM 536 C ALA A 45 -4.149 8.228 -4.981 1.00 0.00 C ATOM 537 O ALA A 45 -4.570 8.297 -3.826 1.00 0.00 O ATOM 538 CB ALA A 45 -5.801 8.258 -6.860 1.00 0.00 C ATOM 0 H ALA A 45 -3.806 9.221 -7.945 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.268 9.920 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.556 7.881 -6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.277 8.892 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.310 7.420 -7.354 1.00 0.00 H new ATOM 544 N ALA A 46 -3.145 7.434 -5.338 1.00 0.00 N ATOM 545 CA ALA A 46 -2.474 6.566 -4.378 1.00 0.00 C ATOM 546 C ALA A 46 -1.810 7.378 -3.273 1.00 0.00 C ATOM 547 O ALA A 46 -1.913 7.038 -2.094 1.00 0.00 O ATOM 548 CB ALA A 46 -1.452 5.687 -5.083 1.00 0.00 C ATOM 0 H ALA A 46 -2.778 7.374 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.226 5.926 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.959 5.045 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.955 5.070 -5.828 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.709 6.315 -5.574 1.00 0.00 H new ATOM 554 N VAL A 47 -1.130 8.451 -3.660 1.00 0.00 N ATOM 555 CA VAL A 47 -0.408 9.286 -2.708 1.00 0.00 C ATOM 556 C VAL A 47 -1.368 10.042 -1.799 1.00 0.00 C ATOM 557 O VAL A 47 -1.208 10.049 -0.579 1.00 0.00 O ATOM 558 CB VAL A 47 0.509 10.295 -3.423 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.051 11.316 -2.434 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.652 9.575 -4.122 1.00 0.00 C ATOM 0 H VAL A 47 -1.064 8.764 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 47 0.205 8.616 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.079 10.821 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.697 12.021 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.222 11.855 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.623 10.805 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.290 10.304 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.238 9.024 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.248 8.881 -4.859 1.00 0.00 H new ATOM 570 N VAL A 48 -2.368 10.678 -2.401 1.00 0.00 N ATOM 571 CA VAL A 48 -3.311 11.502 -1.655 1.00 0.00 C ATOM 572 C VAL A 48 -4.130 10.662 -0.685 1.00 0.00 C ATOM 573 O VAL A 48 -4.336 11.049 0.465 1.00 0.00 O ATOM 574 CB VAL A 48 -4.265 12.260 -2.596 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.376 12.930 -1.801 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.503 13.290 -3.414 1.00 0.00 C ATOM 0 H VAL A 48 -2.546 10.638 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.720 12.225 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.714 11.541 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.041 13.461 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.942 12.173 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.942 13.636 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.194 13.815 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.025 14.005 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.742 12.789 -4.012 1.00 0.00 H new ATOM 586 N LYS A 49 -4.594 9.509 -1.155 1.00 0.00 N ATOM 587 CA LYS A 49 -5.365 8.596 -0.319 1.00 0.00 C ATOM 588 C LYS A 49 -4.502 7.998 0.785 1.00 0.00 C ATOM 589 O LYS A 49 -4.968 7.784 1.903 1.00 0.00 O ATOM 590 CB LYS A 49 -5.978 7.481 -1.168 1.00 0.00 C ATOM 591 CG LYS A 49 -7.113 7.936 -2.078 1.00 0.00 C ATOM 592 CD LYS A 49 -7.657 6.780 -2.903 1.00 0.00 C ATOM 593 CE LYS A 49 -8.775 7.236 -3.829 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.313 6.117 -4.648 1.00 0.00 N ATOM 0 H LYS A 49 -4.449 9.184 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.167 9.168 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.195 7.034 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.350 6.699 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.914 8.365 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.756 8.723 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.852 6.341 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.028 6.000 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.580 7.672 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.403 8.021 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.072 6.472 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.551 5.717 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.692 5.379 -4.021 1.00 0.00 H new ATOM 608 N ALA A 50 -3.241 7.731 0.463 1.00 0.00 N ATOM 609 CA ALA A 50 -2.291 7.219 1.444 1.00 0.00 C ATOM 610 C ALA A 50 -1.982 8.264 2.508 1.00 0.00 C ATOM 611 O ALA A 50 -1.796 7.935 3.680 1.00 0.00 O ATOM 612 CB ALA A 50 -1.013 6.762 0.757 1.00 0.00 C ATOM 0 H ALA A 50 -2.853 7.861 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.747 6.362 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.315 6.383 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.246 5.972 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.561 7.604 0.232 1.00 0.00 H new ATOM 618 N LEU A 51 -1.926 9.526 2.093 1.00 0.00 N ATOM 619 CA LEU A 51 -1.716 10.628 3.023 1.00 0.00 C ATOM 620 C LEU A 51 -2.885 10.764 3.990 1.00 0.00 C ATOM 621 O LEU A 51 -2.693 11.014 5.180 1.00 0.00 O ATOM 622 CB LEU A 51 -1.508 11.939 2.251 1.00 0.00 C ATOM 623 CG LEU A 51 -0.160 12.065 1.531 1.00 0.00 C ATOM 624 CD1 LEU A 51 -0.184 13.252 0.579 1.00 0.00 C ATOM 625 CD2 LEU A 51 0.952 12.220 2.558 1.00 0.00 C ATOM 0 H LEU A 51 -2.023 9.810 1.118 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.821 10.413 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.306 12.039 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.610 12.772 2.947 1.00 0.00 H new ATOM 0 HG LEU A 51 0.025 11.164 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.778 13.332 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.972 13.109 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.375 14.166 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.910 12.310 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.774 13.115 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.969 11.347 3.210 1.00 0.00 H new ATOM 637 N ASP A 52 -4.098 10.598 3.473 1.00 0.00 N ATOM 638 CA ASP A 52 -5.295 10.609 4.305 1.00 0.00 C ATOM 639 C ASP A 52 -5.342 9.389 5.217 1.00 0.00 C ATOM 640 O ASP A 52 -5.790 9.475 6.361 1.00 0.00 O ATOM 641 CB ASP A 52 -6.553 10.665 3.436 1.00 0.00 C ATOM 642 CG ASP A 52 -6.802 12.014 2.776 1.00 0.00 C ATOM 643 OD1 ASP A 52 -6.166 12.967 3.158 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.507 12.052 1.796 1.00 0.00 O ATOM 0 H ASP A 52 -4.278 10.454 2.479 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.258 11.501 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.478 9.903 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.416 10.410 4.051 1.00 0.00 H new ATOM 649 N GLN A 53 -4.879 8.255 4.704 1.00 0.00 N ATOM 650 CA GLN A 53 -4.824 7.026 5.487 1.00 0.00 C ATOM 651 C GLN A 53 -3.853 7.159 6.653 1.00 0.00 C ATOM 652 O GLN A 53 -4.159 6.762 7.778 1.00 0.00 O ATOM 653 CB GLN A 53 -4.412 5.846 4.604 1.00 0.00 C ATOM 654 CG GLN A 53 -4.384 4.509 5.325 1.00 0.00 C ATOM 655 CD GLN A 53 -5.752 4.099 5.836 1.00 0.00 C ATOM 656 OE1 GLN A 53 -6.772 4.337 5.182 1.00 0.00 O ATOM 657 NE2 GLN A 53 -5.783 3.482 7.012 1.00 0.00 N ATOM 0 H GLN A 53 -4.536 8.161 3.748 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.821 6.843 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.102 5.778 3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.423 6.044 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.007 3.742 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.688 4.565 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.915 3.306 7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.674 3.185 7.409 1.00 0.00 H new ATOM 666 N LEU A 54 -2.680 7.720 6.379 1.00 0.00 N ATOM 667 CA LEU A 54 -1.665 7.915 7.407 1.00 0.00 C ATOM 668 C LEU A 54 -2.139 8.895 8.472 1.00 0.00 C ATOM 669 O LEU A 54 -1.976 8.655 9.668 1.00 0.00 O ATOM 670 CB LEU A 54 -0.357 8.406 6.774 1.00 0.00 C ATOM 671 CG LEU A 54 0.382 7.372 5.915 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.498 8.047 5.131 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.937 6.273 6.808 1.00 0.00 C ATOM 0 H LEU A 54 -2.409 8.048 5.452 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.486 6.955 7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.576 9.278 6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.311 8.738 7.569 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.313 6.927 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.017 7.305 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.075 8.814 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.203 8.506 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.462 5.538 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.629 6.706 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.118 5.786 7.337 1.00 0.00 H new ATOM 685 N ALA A 55 -2.728 10.001 8.031 1.00 0.00 N ATOM 686 CA ALA A 55 -3.221 11.025 8.945 1.00 0.00 C ATOM 687 C ALA A 55 -4.362 10.493 9.802 1.00 0.00 C ATOM 688 O ALA A 55 -4.496 10.858 10.971 1.00 0.00 O ATOM 689 CB ALA A 55 -3.664 12.257 8.171 1.00 0.00 C ATOM 0 H ALA A 55 -2.876 10.212 7.044 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.405 11.306 9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.029 13.012 8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.819 12.658 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.461 11.985 7.479 1.00 0.00 H new ATOM 695 N GLN A 56 -5.184 9.629 9.217 1.00 0.00 N ATOM 696 CA GLN A 56 -6.272 8.990 9.946 1.00 0.00 C ATOM 697 C GLN A 56 -5.739 8.057 11.025 1.00 0.00 C ATOM 698 O GLN A 56 -6.291 7.982 12.122 1.00 0.00 O ATOM 699 CB GLN A 56 -7.174 8.210 8.987 1.00 0.00 C ATOM 700 CG GLN A 56 -8.397 7.593 9.646 1.00 0.00 C ATOM 701 CD GLN A 56 -9.332 8.638 10.225 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.639 9.643 9.578 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.786 8.409 11.452 1.00 0.00 N ATOM 0 H GLN A 56 -5.117 9.355 8.237 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.855 9.776 10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.502 8.878 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.589 7.418 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.937 6.993 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.077 6.917 10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.506 7.564 11.950 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.415 9.078 11.896 1.00 0.00 H new ATOM 712 N GLU A 57 -4.663 7.346 10.707 1.00 0.00 N ATOM 713 CA GLU A 57 -4.041 6.430 11.655 1.00 0.00 C ATOM 714 C GLU A 57 -3.242 7.187 12.707 1.00 0.00 C ATOM 715 O GLU A 57 -3.008 6.682 13.806 1.00 0.00 O ATOM 716 CB GLU A 57 -3.138 5.434 10.925 1.00 0.00 C ATOM 717 CG GLU A 57 -3.882 4.437 10.047 1.00 0.00 C ATOM 718 CD GLU A 57 -2.927 3.603 9.239 1.00 0.00 C ATOM 719 OE1 GLU A 57 -1.745 3.712 9.453 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.385 2.776 8.485 1.00 0.00 O ATOM 0 H GLU A 57 -4.203 7.387 9.798 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.836 5.882 12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.432 5.988 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.553 4.884 11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.497 3.788 10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.558 4.971 9.379 1.00 0.00 H new ATOM 727 N GLY A 58 -2.824 8.401 12.366 1.00 0.00 N ATOM 728 CA GLY A 58 -2.043 9.228 13.278 1.00 0.00 C ATOM 729 C GLY A 58 -0.548 9.039 13.050 1.00 0.00 C ATOM 730 O GLY A 58 0.262 9.278 13.946 1.00 0.00 O ATOM 0 H GLY A 58 -3.014 8.835 11.463 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.305 10.277 13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.292 8.973 14.308 1.00 0.00 H new ATOM 734 N LYS A 59 -0.190 8.611 11.845 1.00 0.00 N ATOM 735 CA LYS A 59 1.210 8.405 11.490 1.00 0.00 C ATOM 736 C LYS A 59 1.859 9.704 11.030 1.00 0.00 C ATOM 737 O LYS A 59 3.037 9.947 11.291 1.00 0.00 O ATOM 738 CB LYS A 59 1.336 7.339 10.400 1.00 0.00 C ATOM 739 CG LYS A 59 0.794 5.971 10.793 1.00 0.00 C ATOM 740 CD LYS A 59 1.589 5.371 11.944 1.00 0.00 C ATOM 741 CE LYS A 59 1.046 4.006 12.340 1.00 0.00 C ATOM 742 NZ LYS A 59 1.797 3.418 13.483 1.00 0.00 N ATOM 0 H LYS A 59 -0.850 8.400 11.097 1.00 0.00 H new ATOM 0 HA LYS A 59 1.732 8.061 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.810 7.683 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.387 7.236 10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.254 6.061 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.833 5.302 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.636 5.278 11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.553 6.042 12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.007 4.098 12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.101 3.332 11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.395 2.489 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.797 3.306 13.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.724 4.048 14.307 1.00 0.00 H new ATOM 756 N ILE A 60 1.083 10.536 10.343 1.00 0.00 N ATOM 757 CA ILE A 60 1.565 11.836 9.893 1.00 0.00 C ATOM 758 C ILE A 60 0.610 12.950 10.305 1.00 0.00 C ATOM 759 O ILE A 60 -0.532 12.692 10.685 1.00 0.00 O ATOM 760 CB ILE A 60 1.751 11.872 8.364 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.400 11.737 7.658 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.701 10.770 7.919 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.477 11.891 6.157 1.00 0.00 C ATOM 0 H ILE A 60 0.117 10.333 10.086 1.00 0.00 H new ATOM 0 HA ILE A 60 2.532 11.995 10.371 1.00 0.00 H new ATOM 0 HB ILE A 60 2.187 12.833 8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.026 10.761 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.284 12.487 8.056 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.822 10.809 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.670 10.910 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.292 9.800 8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.519 11.783 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.872 12.877 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.134 11.125 5.746 1.00 0.00 H new ATOM 775 N LYS A 61 1.085 14.188 10.225 1.00 0.00 N ATOM 776 CA LYS A 61 0.233 15.350 10.452 1.00 0.00 C ATOM 777 C LYS A 61 0.187 16.246 9.221 1.00 0.00 C ATOM 778 O LYS A 61 1.008 16.113 8.313 1.00 0.00 O ATOM 779 CB LYS A 61 0.723 16.146 11.663 1.00 0.00 C ATOM 780 CG LYS A 61 0.575 15.419 12.993 1.00 0.00 C ATOM 781 CD LYS A 61 1.245 16.190 14.121 1.00 0.00 C ATOM 782 CE LYS A 61 1.040 15.500 15.462 1.00 0.00 C ATOM 783 NZ LYS A 61 1.819 16.152 16.548 1.00 0.00 N ATOM 0 H LYS A 61 2.055 14.413 10.005 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.776 14.990 10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.773 16.399 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.172 17.085 11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.482 15.283 13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.015 14.425 12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.312 16.283 13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.839 17.201 14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.019 15.512 15.718 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.336 14.454 15.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.651 15.652 17.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.832 16.118 16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.519 17.143 16.644 1.00 0.00 H new ATOM 797 N GLU A 62 -0.778 17.159 9.196 1.00 0.00 N ATOM 798 CA GLU A 62 -1.014 17.992 8.023 1.00 0.00 C ATOM 799 C GLU A 62 -1.281 19.439 8.420 1.00 0.00 C ATOM 800 O GLU A 62 -1.885 19.706 9.458 1.00 0.00 O ATOM 801 CB GLU A 62 -2.187 17.447 7.204 1.00 0.00 C ATOM 802 CG GLU A 62 -3.533 17.520 7.910 1.00 0.00 C ATOM 803 CD GLU A 62 -4.636 16.989 7.038 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.348 16.540 5.955 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.752 16.928 7.497 1.00 0.00 O ATOM 0 H GLU A 62 -1.410 17.341 9.976 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.113 17.966 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.250 18.003 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.982 16.408 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.492 16.948 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.748 18.553 8.183 1.00 0.00 H new ATOM 915 N LYS A 69 -1.454 21.675 0.577 1.00 0.00 N ATOM 916 CA LYS A 69 -1.495 20.863 1.787 1.00 0.00 C ATOM 917 C LYS A 69 -0.124 20.283 2.107 1.00 0.00 C ATOM 918 O LYS A 69 0.471 19.583 1.288 1.00 0.00 O ATOM 919 CB LYS A 69 -2.522 19.738 1.642 1.00 0.00 C ATOM 920 CG LYS A 69 -3.969 20.210 1.586 1.00 0.00 C ATOM 921 CD LYS A 69 -4.931 19.035 1.489 1.00 0.00 C ATOM 922 CE LYS A 69 -6.379 19.502 1.499 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.332 18.362 1.431 1.00 0.00 N ATOM 0 HA LYS A 69 -1.792 21.509 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.301 19.175 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.409 19.050 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.197 20.797 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.106 20.867 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.734 18.476 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.761 18.354 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.568 20.079 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.551 20.169 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.307 18.724 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.170 17.826 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.186 17.738 2.250 1.00 0.00 H new ATOM 937 N ILE A 70 0.373 20.576 3.304 1.00 0.00 N ATOM 938 CA ILE A 70 1.710 20.157 3.703 1.00 0.00 C ATOM 939 C ILE A 70 1.652 19.014 4.710 1.00 0.00 C ATOM 940 O ILE A 70 0.955 19.099 5.720 1.00 0.00 O ATOM 941 CB ILE A 70 2.511 21.323 4.310 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.526 22.516 3.351 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.930 20.881 4.636 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.145 22.211 2.006 1.00 0.00 C ATOM 0 H ILE A 70 -0.132 21.104 4.016 1.00 0.00 H new ATOM 0 HA ILE A 70 2.214 19.815 2.799 1.00 0.00 H new ATOM 0 HB ILE A 70 2.026 21.631 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.503 22.861 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.074 23.336 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.482 21.717 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.900 20.061 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.426 20.548 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.119 23.105 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.179 21.895 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.584 21.413 1.520 1.00 0.00 H new ATOM 956 N TYR A 71 2.389 17.946 4.428 1.00 0.00 N ATOM 957 CA TYR A 71 2.364 16.754 5.268 1.00 0.00 C ATOM 958 C TYR A 71 3.744 16.451 5.835 1.00 0.00 C ATOM 959 O TYR A 71 4.761 16.688 5.183 1.00 0.00 O ATOM 960 CB TYR A 71 1.846 15.551 4.474 1.00 0.00 C ATOM 961 CG TYR A 71 0.409 15.686 4.025 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.088 16.345 2.847 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.624 15.151 4.780 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.223 16.471 2.432 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.940 15.269 4.375 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.235 15.931 3.201 1.00 0.00 C ATOM 967 OH TYR A 71 -3.544 16.051 2.792 1.00 0.00 O ATOM 0 H TYR A 71 3.012 17.881 3.623 1.00 0.00 H new ATOM 0 HA TYR A 71 1.688 16.947 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.478 15.407 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.942 14.655 5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.878 16.767 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.396 14.633 5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.455 16.988 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.733 14.846 4.974 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.132 15.616 3.444 1.00 0.00 H new ATOM 977 N PHE A 72 3.774 15.924 7.055 1.00 0.00 N ATOM 978 CA PHE A 72 5.026 15.524 7.687 1.00 0.00 C ATOM 979 C PHE A 72 4.798 14.419 8.710 1.00 0.00 C ATOM 980 O PHE A 72 3.732 14.337 9.322 1.00 0.00 O ATOM 981 CB PHE A 72 5.696 16.727 8.351 1.00 0.00 C ATOM 982 CG PHE A 72 4.861 17.375 9.419 1.00 0.00 C ATOM 983 CD1 PHE A 72 3.933 18.353 9.096 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.001 17.005 10.749 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.164 18.949 10.077 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.233 17.599 11.732 1.00 0.00 C ATOM 987 CZ PHE A 72 3.315 18.571 11.397 1.00 0.00 C ATOM 0 H PHE A 72 2.944 15.764 7.626 1.00 0.00 H new ATOM 0 HA PHE A 72 5.684 15.136 6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.643 16.409 8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.930 17.468 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.810 18.652 8.066 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.718 16.244 11.019 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.445 19.710 9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.352 17.302 12.763 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.715 19.036 12.165 1.00 0.00 H new ATOM 997 N ALA A 73 5.804 13.572 8.893 1.00 0.00 N ATOM 998 CA ALA A 73 5.690 12.428 9.789 1.00 0.00 C ATOM 999 C ALA A 73 5.753 12.862 11.248 1.00 0.00 C ATOM 1000 O ALA A 73 6.471 13.801 11.595 1.00 0.00 O ATOM 1001 CB ALA A 73 6.778 11.408 9.488 1.00 0.00 C ATOM 0 H ALA A 73 6.710 13.656 8.432 1.00 0.00 H new ATOM 0 HA ALA A 73 4.719 11.963 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.679 10.560 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.679 11.064 8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.756 11.869 9.624 1.00 0.00 H new