USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 484 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 16 THR OG1 : rot 120:sc= -1.74! USER MOD Set 1.2: A 19 SER OG : rot -113:sc= 1.11 USER MOD Set 1.3: A 22 SER OG : rot 168:sc= 2.2 USER MOD Set 1.4: A 24 GLN :FLIP amide:sc= 1.14 F(o=2.4,f=3.3) USER MOD Set 1.5: A 28 GLN : amide:sc= 0.629 K(o=3.3,f=-0.64!) USER MOD Single : A 2 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0558 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.615 F(o=-1.8!,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0364) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.17 F(o=-1.9,f=-0.17) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 31 ASN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.00834 K(o=-0.0083,f=-0.93) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -155:sc= -0.618 (180deg=-2.12) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -1.88! (180deg=-3.43!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -46:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0451 (180deg=-0.276) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 58 MET CE :methyl 152:sc= -0.211 (180deg=-0.933) USER MOD Single : A 59 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.396 10.863 -9.012 1.00 0.00 N ATOM 2 CA PRO A 1 -14.291 11.458 -9.794 1.00 0.00 C ATOM 3 C PRO A 1 -14.106 12.928 -9.437 1.00 0.00 C ATOM 4 O PRO A 1 -14.978 13.755 -9.702 1.00 0.00 O ATOM 5 CB PRO A 1 -14.603 11.311 -11.278 1.00 0.00 C ATOM 6 CG PRO A 1 -15.876 10.536 -11.303 1.00 0.00 C ATOM 7 CD PRO A 1 -16.524 10.735 -9.950 1.00 0.00 C ATOM 0 H2 PRO A 1 -15.644 11.455 -8.219 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.129 9.954 -8.634 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.363 10.938 -9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.717 12.282 -11.760 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.805 10.786 -11.804 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -16.529 10.887 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.684 9.479 -11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -17.152 11.626 -9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -17.163 9.891 -9.689 1.00 0.00 H new ATOM 17 N ASN A 2 -12.973 13.241 -8.822 1.00 0.00 N ATOM 18 CA ASN A 2 -12.635 14.610 -8.448 1.00 0.00 C ATOM 19 C ASN A 2 -11.159 14.690 -8.086 1.00 0.00 C ATOM 20 O ASN A 2 -10.521 13.667 -7.835 1.00 0.00 O ATOM 21 CB ASN A 2 -13.495 15.102 -7.268 1.00 0.00 C ATOM 22 CG ASN A 2 -13.291 14.300 -5.993 1.00 0.00 C ATOM 23 OD1 ASN A 2 -13.057 13.091 -6.027 1.00 0.00 O ATOM 24 ND2 ASN A 2 -13.376 14.965 -4.853 1.00 0.00 N ATOM 0 H ASN A 2 -12.262 12.555 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 2 -12.841 15.257 -9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -13.262 16.148 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -14.547 15.057 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -13.246 14.477 -3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -13.571 15.966 -4.860 1.00 0.00 H new ATOM 31 N ARG A 3 -10.615 15.898 -8.061 1.00 0.00 N ATOM 32 CA ARG A 3 -9.204 16.090 -7.760 1.00 0.00 C ATOM 33 C ARG A 3 -9.024 16.328 -6.262 1.00 0.00 C ATOM 34 O ARG A 3 -8.390 17.291 -5.829 1.00 0.00 O ATOM 35 CB ARG A 3 -8.642 17.261 -8.571 1.00 0.00 C ATOM 36 CG ARG A 3 -7.123 17.332 -8.584 1.00 0.00 C ATOM 37 CD ARG A 3 -6.636 18.549 -9.349 1.00 0.00 C ATOM 38 NE ARG A 3 -7.139 19.791 -8.764 1.00 0.00 N ATOM 39 CZ ARG A 3 -7.432 20.884 -9.459 1.00 0.00 C ATOM 40 NH1 ARG A 3 -7.240 20.921 -10.770 1.00 0.00 N ATOM 41 NH2 ARG A 3 -7.912 21.949 -8.832 1.00 0.00 N ATOM 0 H ARG A 3 -11.129 16.759 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.652 15.192 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.001 17.184 -9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.036 18.193 -8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.749 17.369 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.718 16.428 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.546 18.564 -9.354 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.958 18.479 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.274 19.820 -7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.864 20.105 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.468 21.765 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.054 21.925 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.139 22.792 -9.359 1.00 0.00 H new ATOM 55 N SER A 4 -9.626 15.450 -5.479 1.00 0.00 N ATOM 56 CA SER A 4 -9.536 15.495 -4.032 1.00 0.00 C ATOM 57 C SER A 4 -9.727 14.085 -3.492 1.00 0.00 C ATOM 58 O SER A 4 -10.713 13.423 -3.814 1.00 0.00 O ATOM 59 CB SER A 4 -10.596 16.437 -3.455 1.00 0.00 C ATOM 60 OG SER A 4 -10.492 17.736 -4.023 1.00 0.00 O ATOM 0 H SER A 4 -10.195 14.681 -5.833 1.00 0.00 H new ATOM 0 HA SER A 4 -8.558 15.875 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.590 16.032 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.480 16.500 -2.373 1.00 0.00 H new ATOM 0 HG SER A 4 -11.181 18.317 -3.639 1.00 0.00 H new ATOM 66 N ILE A 5 -8.783 13.623 -2.691 1.00 0.00 N ATOM 67 CA ILE A 5 -8.792 12.242 -2.231 1.00 0.00 C ATOM 68 C ILE A 5 -9.945 11.996 -1.260 1.00 0.00 C ATOM 69 O ILE A 5 -9.989 12.566 -0.170 1.00 0.00 O ATOM 70 CB ILE A 5 -7.454 11.863 -1.561 1.00 0.00 C ATOM 71 CG1 ILE A 5 -6.275 12.232 -2.474 1.00 0.00 C ATOM 72 CG2 ILE A 5 -7.428 10.380 -1.220 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.383 11.674 -3.879 1.00 0.00 C ATOM 0 H ILE A 5 -8.002 14.181 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.929 11.611 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.359 12.427 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.199 13.318 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.352 11.871 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.477 10.132 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.244 10.150 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.544 9.795 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.513 11.979 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.427 10.586 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.287 12.055 -4.353 1.00 0.00 H new ATOM 85 N SER A 6 -10.882 11.156 -1.677 1.00 0.00 N ATOM 86 CA SER A 6 -12.037 10.821 -0.860 1.00 0.00 C ATOM 87 C SER A 6 -11.617 9.998 0.361 1.00 0.00 C ATOM 88 O SER A 6 -10.894 9.008 0.235 1.00 0.00 O ATOM 89 CB SER A 6 -13.042 10.037 -1.704 1.00 0.00 C ATOM 90 OG SER A 6 -13.261 10.679 -2.952 1.00 0.00 O ATOM 0 H SER A 6 -10.863 10.691 -2.585 1.00 0.00 H new ATOM 0 HA SER A 6 -12.499 11.742 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.673 9.025 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.985 9.948 -1.165 1.00 0.00 H new ATOM 0 HG SER A 6 -13.906 10.161 -3.478 1.00 0.00 H new ATOM 96 N PRO A 7 -12.061 10.406 1.563 1.00 0.00 N ATOM 97 CA PRO A 7 -11.759 9.700 2.819 1.00 0.00 C ATOM 98 C PRO A 7 -12.399 8.314 2.880 1.00 0.00 C ATOM 99 O PRO A 7 -12.127 7.532 3.794 1.00 0.00 O ATOM 100 CB PRO A 7 -12.352 10.609 3.904 1.00 0.00 C ATOM 101 CG PRO A 7 -12.592 11.921 3.236 1.00 0.00 C ATOM 102 CD PRO A 7 -12.877 11.604 1.799 1.00 0.00 C ATOM 0 HA PRO A 7 -10.689 9.526 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.279 10.195 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.666 10.716 4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.431 12.445 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.722 12.571 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.936 11.412 1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.592 12.424 1.140 1.00 0.00 H new ATOM 110 N SER A 8 -13.244 8.022 1.895 1.00 0.00 N ATOM 111 CA SER A 8 -13.905 6.733 1.792 1.00 0.00 C ATOM 112 C SER A 8 -12.873 5.613 1.741 1.00 0.00 C ATOM 113 O SER A 8 -13.008 4.603 2.423 1.00 0.00 O ATOM 114 CB SER A 8 -14.760 6.701 0.524 1.00 0.00 C ATOM 115 OG SER A 8 -15.376 7.960 0.297 1.00 0.00 O ATOM 0 H SER A 8 -13.487 8.674 1.149 1.00 0.00 H new ATOM 0 HA SER A 8 -14.539 6.587 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.139 6.436 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.524 5.929 0.615 1.00 0.00 H new ATOM 0 HG SER A 8 -15.916 7.917 -0.520 1.00 0.00 H new ATOM 121 N ALA A 9 -11.826 5.826 0.953 1.00 0.00 N ATOM 122 CA ALA A 9 -10.788 4.827 0.761 1.00 0.00 C ATOM 123 C ALA A 9 -10.057 4.521 2.060 1.00 0.00 C ATOM 124 O ALA A 9 -9.677 3.383 2.313 1.00 0.00 O ATOM 125 CB ALA A 9 -9.807 5.300 -0.292 1.00 0.00 C ATOM 0 H ALA A 9 -11.675 6.691 0.433 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.265 3.906 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.031 4.547 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.332 5.458 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.350 6.236 0.030 1.00 0.00 H new ATOM 131 N LEU A 10 -9.881 5.539 2.890 1.00 0.00 N ATOM 132 CA LEU A 10 -9.136 5.388 4.133 1.00 0.00 C ATOM 133 C LEU A 10 -9.882 4.483 5.104 1.00 0.00 C ATOM 134 O LEU A 10 -9.304 3.567 5.694 1.00 0.00 O ATOM 135 CB LEU A 10 -8.890 6.759 4.773 1.00 0.00 C ATOM 136 CG LEU A 10 -8.121 7.758 3.903 1.00 0.00 C ATOM 137 CD1 LEU A 10 -7.963 9.082 4.629 1.00 0.00 C ATOM 138 CD2 LEU A 10 -6.763 7.196 3.515 1.00 0.00 C ATOM 0 H LEU A 10 -10.243 6.478 2.726 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.176 4.927 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.853 7.197 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.341 6.614 5.703 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.692 7.931 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.414 9.780 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.947 9.493 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.414 8.925 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.232 7.921 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.183 6.993 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.899 6.271 2.954 1.00 0.00 H new ATOM 150 N GLN A 11 -11.172 4.743 5.262 1.00 0.00 N ATOM 151 CA GLN A 11 -12.008 3.957 6.162 1.00 0.00 C ATOM 152 C GLN A 11 -12.257 2.569 5.586 1.00 0.00 C ATOM 153 O GLN A 11 -12.339 1.581 6.313 1.00 0.00 O ATOM 154 CB GLN A 11 -13.330 4.682 6.440 1.00 0.00 C ATOM 155 CG GLN A 11 -14.297 4.722 5.268 1.00 0.00 C ATOM 156 CD GLN A 11 -15.570 5.487 5.591 1.00 0.00 C ATOM 157 OE1 GLN A 11 -16.172 6.097 4.582 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 -16.009 5.526 6.738 1.00 0.00 N flip ATOM 0 H GLN A 11 -11.665 5.494 4.778 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.481 3.840 7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.823 4.197 7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.109 5.705 6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.806 5.184 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.553 3.703 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.516 5.043 7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.866 6.041 6.939 1.00 0.00 H new ATOM 167 N ASP A 12 -12.371 2.512 4.271 1.00 0.00 N ATOM 168 CA ASP A 12 -12.605 1.257 3.564 1.00 0.00 C ATOM 169 C ASP A 12 -11.387 0.342 3.680 1.00 0.00 C ATOM 170 O ASP A 12 -11.521 -0.870 3.855 1.00 0.00 O ATOM 171 CB ASP A 12 -12.914 1.542 2.092 1.00 0.00 C ATOM 172 CG ASP A 12 -13.583 0.381 1.382 1.00 0.00 C ATOM 173 OD1 ASP A 12 -14.796 0.173 1.604 1.00 0.00 O ATOM 174 OD2 ASP A 12 -12.922 -0.285 0.564 1.00 0.00 O ATOM 0 H ASP A 12 -12.305 3.328 3.662 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.458 0.752 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.559 2.418 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.987 1.789 1.575 1.00 0.00 H new ATOM 179 N LEU A 13 -10.200 0.948 3.623 1.00 0.00 N ATOM 180 CA LEU A 13 -8.940 0.210 3.672 1.00 0.00 C ATOM 181 C LEU A 13 -8.810 -0.591 4.959 1.00 0.00 C ATOM 182 O LEU A 13 -8.478 -1.774 4.928 1.00 0.00 O ATOM 183 CB LEU A 13 -7.755 1.173 3.543 1.00 0.00 C ATOM 184 CG LEU A 13 -6.368 0.521 3.571 1.00 0.00 C ATOM 185 CD1 LEU A 13 -6.196 -0.422 2.392 1.00 0.00 C ATOM 186 CD2 LEU A 13 -5.284 1.588 3.564 1.00 0.00 C ATOM 0 H LEU A 13 -10.087 1.958 3.542 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.936 -0.488 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.859 1.726 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.811 1.901 4.352 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.277 -0.060 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.205 -0.875 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.954 -1.204 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.305 0.135 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.304 1.111 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.375 2.193 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.395 2.226 4.441 1.00 0.00 H new ATOM 198 N LEU A 14 -9.085 0.055 6.082 1.00 0.00 N ATOM 199 CA LEU A 14 -8.960 -0.589 7.384 1.00 0.00 C ATOM 200 C LEU A 14 -9.913 -1.773 7.478 1.00 0.00 C ATOM 201 O LEU A 14 -9.603 -2.800 8.082 1.00 0.00 O ATOM 202 CB LEU A 14 -9.230 0.433 8.497 1.00 0.00 C ATOM 203 CG LEU A 14 -10.697 0.808 8.749 1.00 0.00 C ATOM 204 CD1 LEU A 14 -11.296 -0.031 9.871 1.00 0.00 C ATOM 205 CD2 LEU A 14 -10.815 2.292 9.068 1.00 0.00 C ATOM 0 H LEU A 14 -9.397 1.026 6.120 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.945 -0.967 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.815 0.042 9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.681 1.345 8.262 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.261 0.599 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.336 0.258 10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.249 -1.086 9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.733 0.134 10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.861 2.544 9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.231 2.520 9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.438 2.876 8.228 1.00 0.00 H new ATOM 217 N ARG A 15 -11.071 -1.611 6.861 1.00 0.00 N ATOM 218 CA ARG A 15 -12.099 -2.647 6.862 1.00 0.00 C ATOM 219 C ARG A 15 -11.656 -3.881 6.077 1.00 0.00 C ATOM 220 O ARG A 15 -11.704 -5.001 6.582 1.00 0.00 O ATOM 221 CB ARG A 15 -13.384 -2.102 6.230 1.00 0.00 C ATOM 222 CG ARG A 15 -14.021 -0.950 6.992 1.00 0.00 C ATOM 223 CD ARG A 15 -15.241 -0.416 6.258 1.00 0.00 C ATOM 224 NE ARG A 15 -15.773 0.800 6.876 1.00 0.00 N ATOM 225 CZ ARG A 15 -16.914 1.390 6.508 1.00 0.00 C ATOM 226 NH1 ARG A 15 -17.657 0.866 5.539 1.00 0.00 N ATOM 227 NH2 ARG A 15 -17.313 2.502 7.115 1.00 0.00 N ATOM 0 H ARG A 15 -11.327 -0.767 6.349 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.273 -2.936 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.163 -1.772 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.108 -2.913 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.310 -1.285 7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -13.293 -0.150 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.976 -0.208 5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.016 -1.182 6.242 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.239 1.223 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.357 0.010 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.527 1.320 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.748 2.906 7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.184 2.952 6.834 1.00 0.00 H new ATOM 241 N THR A 16 -11.220 -3.663 4.848 1.00 0.00 N ATOM 242 CA THR A 16 -10.865 -4.757 3.951 1.00 0.00 C ATOM 243 C THR A 16 -9.528 -5.412 4.322 1.00 0.00 C ATOM 244 O THR A 16 -9.416 -6.638 4.353 1.00 0.00 O ATOM 245 CB THR A 16 -10.864 -4.294 2.477 1.00 0.00 C ATOM 246 OG1 THR A 16 -10.492 -5.368 1.611 1.00 0.00 O ATOM 247 CG2 THR A 16 -9.928 -3.127 2.268 1.00 0.00 C ATOM 0 H THR A 16 -11.102 -2.734 4.444 1.00 0.00 H new ATOM 0 HA THR A 16 -11.635 -5.520 4.070 1.00 0.00 H new ATOM 0 HB THR A 16 -11.877 -3.973 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.223 -5.552 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.951 -2.825 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.243 -2.291 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.914 -3.421 2.539 1.00 0.00 H new ATOM 255 N LEU A 17 -8.529 -4.586 4.640 1.00 0.00 N ATOM 256 CA LEU A 17 -7.173 -5.065 4.915 1.00 0.00 C ATOM 257 C LEU A 17 -7.160 -5.952 6.159 1.00 0.00 C ATOM 258 O LEU A 17 -6.283 -6.801 6.329 1.00 0.00 O ATOM 259 CB LEU A 17 -6.240 -3.848 5.077 1.00 0.00 C ATOM 260 CG LEU A 17 -4.725 -4.117 5.150 1.00 0.00 C ATOM 261 CD1 LEU A 17 -4.296 -4.522 6.553 1.00 0.00 C ATOM 262 CD2 LEU A 17 -4.314 -5.180 4.136 1.00 0.00 C ATOM 0 H LEU A 17 -8.636 -3.574 4.714 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.818 -5.674 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.421 -3.172 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.532 -3.319 5.984 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.215 -3.186 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.221 -4.704 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.538 -3.722 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.821 -5.431 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.240 -5.353 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.846 -6.108 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.562 -4.839 3.131 1.00 0.00 H new ATOM 274 N LYS A 18 -8.161 -5.771 7.006 1.00 0.00 N ATOM 275 CA LYS A 18 -8.265 -6.521 8.244 1.00 0.00 C ATOM 276 C LYS A 18 -8.635 -7.980 7.968 1.00 0.00 C ATOM 277 O LYS A 18 -8.487 -8.841 8.835 1.00 0.00 O ATOM 278 CB LYS A 18 -9.312 -5.868 9.147 1.00 0.00 C ATOM 279 CG LYS A 18 -9.296 -6.366 10.584 1.00 0.00 C ATOM 280 CD LYS A 18 -10.363 -5.676 11.421 1.00 0.00 C ATOM 281 CE LYS A 18 -10.164 -4.166 11.457 1.00 0.00 C ATOM 282 NZ LYS A 18 -8.905 -3.778 12.150 1.00 0.00 N ATOM 0 H LYS A 18 -8.918 -5.105 6.855 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.297 -6.510 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.154 -4.790 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.301 -6.045 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.459 -7.444 10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.314 -6.186 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.348 -5.903 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.340 -6.070 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.149 -3.779 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.012 -3.702 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.863 -2.743 12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.883 -4.208 13.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.088 -4.111 11.599 1.00 0.00 H new ATOM 296 N SER A 19 -9.123 -8.253 6.763 1.00 0.00 N ATOM 297 CA SER A 19 -9.494 -9.606 6.377 1.00 0.00 C ATOM 298 C SER A 19 -8.419 -10.231 5.487 1.00 0.00 C ATOM 299 O SER A 19 -8.341 -9.942 4.293 1.00 0.00 O ATOM 300 CB SER A 19 -10.840 -9.597 5.647 1.00 0.00 C ATOM 301 OG SER A 19 -11.213 -10.904 5.236 1.00 0.00 O ATOM 0 H SER A 19 -9.270 -7.552 6.036 1.00 0.00 H new ATOM 0 HA SER A 19 -9.584 -10.207 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.608 -9.186 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.780 -8.943 4.777 1.00 0.00 H new ATOM 0 HG SER A 19 -11.206 -10.954 4.257 1.00 0.00 H new ATOM 307 N PRO A 20 -7.568 -11.098 6.058 1.00 0.00 N ATOM 308 CA PRO A 20 -6.541 -11.795 5.302 1.00 0.00 C ATOM 309 C PRO A 20 -7.033 -13.130 4.751 1.00 0.00 C ATOM 310 O PRO A 20 -6.327 -13.802 3.997 1.00 0.00 O ATOM 311 CB PRO A 20 -5.452 -12.007 6.348 1.00 0.00 C ATOM 312 CG PRO A 20 -6.185 -12.152 7.647 1.00 0.00 C ATOM 313 CD PRO A 20 -7.515 -11.447 7.491 1.00 0.00 C ATOM 0 HA PRO A 20 -6.214 -11.239 4.423 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.860 -12.895 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.762 -11.164 6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.333 -13.204 7.890 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.611 -11.714 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.345 -12.093 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.572 -10.559 8.121 1.00 0.00 H new ATOM 321 N SER A 21 -8.242 -13.508 5.134 1.00 0.00 N ATOM 322 CA SER A 21 -8.831 -14.766 4.703 1.00 0.00 C ATOM 323 C SER A 21 -9.391 -14.639 3.290 1.00 0.00 C ATOM 324 O SER A 21 -9.375 -15.587 2.504 1.00 0.00 O ATOM 325 CB SER A 21 -9.955 -15.151 5.662 1.00 0.00 C ATOM 326 OG SER A 21 -9.756 -14.555 6.935 1.00 0.00 O ATOM 0 H SER A 21 -8.840 -12.955 5.749 1.00 0.00 H new ATOM 0 HA SER A 21 -8.059 -15.535 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.914 -14.833 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.996 -16.235 5.765 1.00 0.00 H new ATOM 0 HG SER A 21 -10.487 -14.812 7.535 1.00 0.00 H new ATOM 332 N SER A 22 -9.864 -13.447 2.971 1.00 0.00 N ATOM 333 CA SER A 22 -10.574 -13.208 1.730 1.00 0.00 C ATOM 334 C SER A 22 -9.646 -12.633 0.657 1.00 0.00 C ATOM 335 O SER A 22 -8.546 -12.157 0.957 1.00 0.00 O ATOM 336 CB SER A 22 -11.740 -12.252 1.998 1.00 0.00 C ATOM 337 OG SER A 22 -11.279 -11.026 2.538 1.00 0.00 O ATOM 0 H SER A 22 -9.767 -12.622 3.563 1.00 0.00 H new ATOM 0 HA SER A 22 -10.955 -14.158 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.281 -12.064 1.071 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.444 -12.716 2.689 1.00 0.00 H new ATOM 0 HG SER A 22 -12.006 -10.369 2.526 1.00 0.00 H new ATOM 343 N PRO A 23 -10.087 -12.689 -0.616 1.00 0.00 N ATOM 344 CA PRO A 23 -9.374 -12.093 -1.756 1.00 0.00 C ATOM 345 C PRO A 23 -9.200 -10.586 -1.602 1.00 0.00 C ATOM 346 O PRO A 23 -8.351 -9.974 -2.257 1.00 0.00 O ATOM 347 CB PRO A 23 -10.267 -12.411 -2.962 1.00 0.00 C ATOM 348 CG PRO A 23 -11.602 -12.718 -2.381 1.00 0.00 C ATOM 349 CD PRO A 23 -11.326 -13.357 -1.052 1.00 0.00 C ATOM 0 HA PRO A 23 -8.364 -12.491 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.320 -11.566 -3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.879 -13.257 -3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.197 -11.812 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.167 -13.389 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.142 -13.194 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.193 -14.435 -1.142 1.00 0.00 H new ATOM 357 N GLN A 24 -10.013 -9.998 -0.724 1.00 0.00 N ATOM 358 CA GLN A 24 -10.085 -8.549 -0.563 1.00 0.00 C ATOM 359 C GLN A 24 -8.736 -7.980 -0.140 1.00 0.00 C ATOM 360 O GLN A 24 -8.429 -6.822 -0.425 1.00 0.00 O ATOM 361 CB GLN A 24 -11.134 -8.190 0.495 1.00 0.00 C ATOM 362 CG GLN A 24 -12.495 -8.828 0.264 1.00 0.00 C ATOM 363 CD GLN A 24 -13.482 -8.520 1.373 1.00 0.00 C ATOM 364 OE1 GLN A 24 -13.472 -9.334 2.413 1.00 0.00 O flip ATOM 365 NE2 GLN A 24 -14.232 -7.550 1.306 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.639 -10.514 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.365 -8.118 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.764 -8.493 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.252 -7.107 0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.900 -8.477 -0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.376 -9.908 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.210 -6.944 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.877 -7.350 2.071 1.00 0.00 H new ATOM 374 N GLN A 25 -7.929 -8.818 0.506 1.00 0.00 N ATOM 375 CA GLN A 25 -6.622 -8.409 1.001 1.00 0.00 C ATOM 376 C GLN A 25 -5.764 -7.834 -0.124 1.00 0.00 C ATOM 377 O GLN A 25 -5.280 -6.712 -0.030 1.00 0.00 O ATOM 378 CB GLN A 25 -5.908 -9.609 1.620 1.00 0.00 C ATOM 379 CG GLN A 25 -4.601 -9.256 2.314 1.00 0.00 C ATOM 380 CD GLN A 25 -3.769 -10.478 2.641 1.00 0.00 C ATOM 381 OE1 GLN A 25 -4.428 -11.611 2.818 1.00 0.00 O flip ATOM 382 NE2 GLN A 25 -2.542 -10.408 2.712 1.00 0.00 N flip ATOM 0 H GLN A 25 -8.162 -9.792 0.699 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.770 -7.635 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.574 -10.084 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.707 -10.343 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.023 -8.588 1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.817 -8.711 3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.073 -9.514 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.994 -11.244 2.914 1.00 0.00 H new ATOM 391 N GLN A 26 -5.543 -8.610 -1.176 1.00 0.00 N ATOM 392 CA GLN A 26 -4.795 -8.104 -2.318 1.00 0.00 C ATOM 393 C GLN A 26 -5.659 -7.231 -3.231 1.00 0.00 C ATOM 394 O GLN A 26 -5.298 -6.101 -3.538 1.00 0.00 O ATOM 395 CB GLN A 26 -4.151 -9.248 -3.112 1.00 0.00 C ATOM 396 CG GLN A 26 -5.095 -10.393 -3.441 1.00 0.00 C ATOM 397 CD GLN A 26 -4.500 -11.376 -4.430 1.00 0.00 C ATOM 398 OE1 GLN A 26 -3.179 -11.486 -4.445 1.00 0.00 O flip ATOM 399 NE2 GLN A 26 -5.224 -12.021 -5.189 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.864 -9.574 -1.263 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.000 -7.473 -1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.748 -8.847 -4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.308 -9.640 -2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.354 -10.920 -2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.021 -9.989 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.237 -11.908 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.811 -12.668 -5.860 1.00 0.00 H new ATOM 408 N GLN A 27 -6.818 -7.749 -3.628 1.00 0.00 N ATOM 409 CA GLN A 27 -7.606 -7.144 -4.705 1.00 0.00 C ATOM 410 C GLN A 27 -8.244 -5.807 -4.317 1.00 0.00 C ATOM 411 O GLN A 27 -8.050 -4.801 -5.000 1.00 0.00 O ATOM 412 CB GLN A 27 -8.674 -8.131 -5.167 1.00 0.00 C ATOM 413 CG GLN A 27 -8.090 -9.472 -5.589 1.00 0.00 C ATOM 414 CD GLN A 27 -9.141 -10.473 -6.013 1.00 0.00 C ATOM 415 OE1 GLN A 27 -10.284 -10.427 -5.561 1.00 0.00 O ATOM 416 NE2 GLN A 27 -8.754 -11.392 -6.879 1.00 0.00 N ATOM 0 H GLN A 27 -7.235 -8.587 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.918 -6.922 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.391 -8.289 -4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.225 -7.700 -6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.394 -9.315 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.515 -9.887 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.796 -11.392 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.414 -12.101 -7.199 1.00 0.00 H new ATOM 425 N GLN A 28 -8.995 -5.795 -3.223 1.00 0.00 N ATOM 426 CA GLN A 28 -9.722 -4.594 -2.816 1.00 0.00 C ATOM 427 C GLN A 28 -8.768 -3.533 -2.285 1.00 0.00 C ATOM 428 O GLN A 28 -8.905 -2.348 -2.596 1.00 0.00 O ATOM 429 CB GLN A 28 -10.795 -4.944 -1.780 1.00 0.00 C ATOM 430 CG GLN A 28 -11.495 -3.738 -1.173 1.00 0.00 C ATOM 431 CD GLN A 28 -12.750 -4.120 -0.416 1.00 0.00 C ATOM 432 OE1 GLN A 28 -12.886 -5.246 0.060 1.00 0.00 O ATOM 433 NE2 GLN A 28 -13.660 -3.175 -0.264 1.00 0.00 N ATOM 0 H GLN A 28 -9.118 -6.596 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.219 -4.179 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -11.542 -5.585 -2.249 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.335 -5.524 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.809 -3.224 -0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.751 -3.034 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.511 -2.253 -0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.512 -3.367 0.263 1.00 0.00 H new ATOM 442 N VAL A 29 -7.793 -3.964 -1.496 1.00 0.00 N ATOM 443 CA VAL A 29 -6.771 -3.058 -1.000 1.00 0.00 C ATOM 444 C VAL A 29 -6.018 -2.413 -2.164 1.00 0.00 C ATOM 445 O VAL A 29 -5.733 -1.220 -2.136 1.00 0.00 O ATOM 446 CB VAL A 29 -5.785 -3.787 -0.060 1.00 0.00 C ATOM 447 CG1 VAL A 29 -4.574 -2.923 0.260 1.00 0.00 C ATOM 448 CG2 VAL A 29 -6.496 -4.197 1.222 1.00 0.00 C ATOM 0 H VAL A 29 -7.690 -4.931 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.267 -2.276 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.427 -4.679 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.903 -3.469 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.050 -2.675 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.901 -2.005 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.794 -4.710 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.881 -3.310 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.323 -4.865 0.982 1.00 0.00 H new ATOM 458 N LEU A 30 -5.739 -3.200 -3.202 1.00 0.00 N ATOM 459 CA LEU A 30 -5.040 -2.703 -4.387 1.00 0.00 C ATOM 460 C LEU A 30 -5.805 -1.543 -5.020 1.00 0.00 C ATOM 461 O LEU A 30 -5.206 -0.590 -5.520 1.00 0.00 O ATOM 462 CB LEU A 30 -4.866 -3.828 -5.410 1.00 0.00 C ATOM 463 CG LEU A 30 -3.988 -3.490 -6.614 1.00 0.00 C ATOM 464 CD1 LEU A 30 -2.538 -3.339 -6.181 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.120 -4.563 -7.682 1.00 0.00 C ATOM 0 H LEU A 30 -5.987 -4.188 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.058 -2.345 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.440 -4.694 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.851 -4.123 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.322 -2.543 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.923 -3.098 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.459 -2.538 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.191 -4.273 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.489 -4.308 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.807 -5.524 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.159 -4.627 -8.007 1.00 0.00 H new ATOM 477 N ASN A 31 -7.128 -1.629 -4.986 1.00 0.00 N ATOM 478 CA ASN A 31 -7.984 -0.562 -5.495 1.00 0.00 C ATOM 479 C ASN A 31 -7.815 0.702 -4.657 1.00 0.00 C ATOM 480 O ASN A 31 -7.795 1.816 -5.184 1.00 0.00 O ATOM 481 CB ASN A 31 -9.453 -1.015 -5.493 1.00 0.00 C ATOM 482 CG ASN A 31 -10.438 0.130 -5.689 1.00 0.00 C ATOM 483 OD1 ASN A 31 -10.746 0.519 -6.815 1.00 0.00 O ATOM 484 ND2 ASN A 31 -10.959 0.662 -4.592 1.00 0.00 N ATOM 0 H ASN A 31 -7.635 -2.430 -4.610 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.689 -0.337 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.600 -1.751 -6.284 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.671 -1.514 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.639 1.419 -4.666 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.680 0.314 -3.675 1.00 0.00 H new ATOM 491 N ILE A 32 -7.686 0.518 -3.351 1.00 0.00 N ATOM 492 CA ILE A 32 -7.490 1.632 -2.434 1.00 0.00 C ATOM 493 C ILE A 32 -6.073 2.187 -2.544 1.00 0.00 C ATOM 494 O ILE A 32 -5.848 3.387 -2.359 1.00 0.00 O ATOM 495 CB ILE A 32 -7.775 1.202 -0.987 1.00 0.00 C ATOM 496 CG1 ILE A 32 -9.232 0.743 -0.874 1.00 0.00 C ATOM 497 CG2 ILE A 32 -7.480 2.344 -0.022 1.00 0.00 C ATOM 498 CD1 ILE A 32 -9.559 0.048 0.423 1.00 0.00 C ATOM 0 H ILE A 32 -7.714 -0.397 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.192 2.418 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.123 0.371 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.884 1.609 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.455 0.069 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.688 2.021 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.431 2.630 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.110 3.199 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.609 -0.245 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.934 -0.839 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.371 0.725 1.256 1.00 0.00 H new ATOM 510 N LEU A 33 -5.130 1.312 -2.882 1.00 0.00 N ATOM 511 CA LEU A 33 -3.743 1.709 -3.104 1.00 0.00 C ATOM 512 C LEU A 33 -3.677 2.863 -4.116 1.00 0.00 C ATOM 513 O LEU A 33 -2.810 3.720 -4.031 1.00 0.00 O ATOM 514 CB LEU A 33 -2.899 0.523 -3.618 1.00 0.00 C ATOM 515 CG LEU A 33 -1.961 -0.189 -2.614 1.00 0.00 C ATOM 516 CD1 LEU A 33 -1.213 0.786 -1.715 1.00 0.00 C ATOM 517 CD2 LEU A 33 -2.725 -1.183 -1.775 1.00 0.00 C ATOM 0 H LEU A 33 -5.304 0.315 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.333 2.038 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.583 -0.223 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.290 0.881 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.217 -0.718 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.570 0.231 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.603 1.451 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.929 1.375 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.044 -1.670 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.506 -0.665 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.179 -1.933 -2.423 1.00 0.00 H new ATOM 529 N LYS A 34 -4.608 2.881 -5.060 1.00 0.00 N ATOM 530 CA LYS A 34 -4.656 3.913 -6.099 1.00 0.00 C ATOM 531 C LYS A 34 -5.024 5.304 -5.547 1.00 0.00 C ATOM 532 O LYS A 34 -4.645 6.321 -6.124 1.00 0.00 O ATOM 533 CB LYS A 34 -5.675 3.506 -7.174 1.00 0.00 C ATOM 534 CG LYS A 34 -5.848 4.544 -8.272 1.00 0.00 C ATOM 535 CD LYS A 34 -7.111 4.309 -9.077 1.00 0.00 C ATOM 536 CE LYS A 34 -7.332 5.426 -10.081 1.00 0.00 C ATOM 537 NZ LYS A 34 -8.653 5.314 -10.744 1.00 0.00 N ATOM 0 H LYS A 34 -5.351 2.186 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.655 3.990 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.361 2.564 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.640 3.327 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.880 5.539 -7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.984 4.518 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.042 3.355 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.967 4.244 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.259 6.389 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.544 5.400 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.768 6.094 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.713 4.406 -11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.406 5.364 -10.028 1.00 0.00 H new ATOM 551 N SER A 35 -5.754 5.358 -4.441 1.00 0.00 N ATOM 552 CA SER A 35 -6.374 6.613 -4.005 1.00 0.00 C ATOM 553 C SER A 35 -5.407 7.557 -3.271 1.00 0.00 C ATOM 554 O SER A 35 -5.607 8.768 -3.273 1.00 0.00 O ATOM 555 CB SER A 35 -7.581 6.303 -3.120 1.00 0.00 C ATOM 556 OG SER A 35 -8.489 5.448 -3.795 1.00 0.00 O ATOM 0 H SER A 35 -5.933 4.560 -3.832 1.00 0.00 H new ATOM 0 HA SER A 35 -6.685 7.141 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.249 5.832 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.083 7.230 -2.843 1.00 0.00 H new ATOM 0 HG SER A 35 -9.254 5.259 -3.213 1.00 0.00 H new ATOM 562 N ASN A 36 -4.354 7.016 -2.676 1.00 0.00 N ATOM 563 CA ASN A 36 -3.458 7.802 -1.802 1.00 0.00 C ATOM 564 C ASN A 36 -2.279 6.935 -1.367 1.00 0.00 C ATOM 565 O ASN A 36 -1.133 7.382 -1.357 1.00 0.00 O ATOM 566 CB ASN A 36 -4.196 8.319 -0.563 1.00 0.00 C ATOM 567 CG ASN A 36 -3.421 9.411 0.160 1.00 0.00 C ATOM 568 OD1 ASN A 36 -2.733 10.220 -0.466 1.00 0.00 O ATOM 569 ND2 ASN A 36 -3.510 9.432 1.482 1.00 0.00 N ATOM 0 H ASN A 36 -4.089 6.036 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.102 8.662 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.172 8.705 -0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.375 7.490 0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.999 10.134 2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.090 8.746 1.965 1.00 0.00 H new ATOM 576 N PRO A 37 -2.570 5.673 -0.995 1.00 0.00 N ATOM 577 CA PRO A 37 -1.600 4.568 -0.912 1.00 0.00 C ATOM 578 C PRO A 37 -0.648 4.439 -2.120 1.00 0.00 C ATOM 579 O PRO A 37 0.184 3.532 -2.138 1.00 0.00 O ATOM 580 CB PRO A 37 -2.485 3.351 -0.730 1.00 0.00 C ATOM 581 CG PRO A 37 -3.619 3.856 0.069 1.00 0.00 C ATOM 582 CD PRO A 37 -3.896 5.217 -0.485 1.00 0.00 C ATOM 0 HA PRO A 37 -0.892 4.722 -0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.817 2.951 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.959 2.547 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.489 3.206 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.367 3.903 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.639 5.181 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.282 5.889 0.281 1.00 0.00 H new ATOM 590 N GLN A 38 -0.828 5.307 -3.136 1.00 0.00 N ATOM 591 CA GLN A 38 -0.073 5.313 -4.416 1.00 0.00 C ATOM 592 C GLN A 38 1.424 5.128 -4.229 1.00 0.00 C ATOM 593 O GLN A 38 2.138 4.941 -5.201 1.00 0.00 O ATOM 594 CB GLN A 38 -0.304 6.620 -5.174 1.00 0.00 C ATOM 595 CG GLN A 38 -1.681 6.735 -5.793 1.00 0.00 C ATOM 596 CD GLN A 38 -1.809 7.947 -6.693 1.00 0.00 C ATOM 597 OE1 GLN A 38 -1.524 7.878 -7.889 1.00 0.00 O ATOM 598 NE2 GLN A 38 -2.243 9.060 -6.131 1.00 0.00 N ATOM 0 H GLN A 38 -1.525 6.050 -3.092 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.452 4.464 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.152 7.456 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.446 6.710 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.894 5.834 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.429 6.792 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.468 9.075 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.353 9.905 -6.692 1.00 0.00 H new ATOM 607 N LEU A 39 1.907 5.236 -3.008 1.00 0.00 N ATOM 608 CA LEU A 39 3.248 4.754 -2.690 1.00 0.00 C ATOM 609 C LEU A 39 3.453 3.348 -3.272 1.00 0.00 C ATOM 610 O LEU A 39 4.570 2.958 -3.588 1.00 0.00 O ATOM 611 CB LEU A 39 3.456 4.659 -1.190 1.00 0.00 C ATOM 612 CG LEU A 39 4.848 4.165 -0.806 1.00 0.00 C ATOM 613 CD1 LEU A 39 5.689 5.293 -0.240 1.00 0.00 C ATOM 614 CD2 LEU A 39 4.757 3.004 0.161 1.00 0.00 C ATOM 0 H LEU A 39 1.402 5.648 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 39 3.957 5.463 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.290 5.640 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.710 3.986 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 39 5.344 3.808 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.676 4.913 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.792 6.080 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.205 5.697 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.761 2.668 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.235 3.322 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.209 2.185 -0.305 1.00 0.00 H new ATOM 626 N MET A 40 2.360 2.590 -3.386 1.00 0.00 N ATOM 627 CA MET A 40 2.369 1.265 -4.016 1.00 0.00 C ATOM 628 C MET A 40 2.980 1.331 -5.391 1.00 0.00 C ATOM 629 O MET A 40 3.560 0.368 -5.871 1.00 0.00 O ATOM 630 CB MET A 40 0.949 0.734 -4.153 1.00 0.00 C ATOM 631 CG MET A 40 0.021 1.618 -4.984 1.00 0.00 C ATOM 632 SD MET A 40 -0.060 1.151 -6.724 1.00 0.00 S ATOM 633 CE MET A 40 -1.304 -0.138 -6.665 1.00 0.00 C ATOM 0 H MET A 40 1.443 2.876 -3.044 1.00 0.00 H new ATOM 0 HA MET A 40 2.959 0.603 -3.382 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.987 -0.257 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.521 0.614 -3.158 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.982 1.577 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.357 2.652 -4.910 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.167 -0.815 -7.508 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.207 -0.695 -5.733 1.00 0.00 H new ATOM 0 HE3 MET A 40 -2.296 0.311 -6.718 1.00 0.00 H new ATOM 643 N ALA A 41 2.826 2.465 -6.021 1.00 0.00 N ATOM 644 CA ALA A 41 3.460 2.703 -7.302 1.00 0.00 C ATOM 645 C ALA A 41 4.968 2.471 -7.184 1.00 0.00 C ATOM 646 O ALA A 41 5.575 1.834 -8.046 1.00 0.00 O ATOM 647 CB ALA A 41 3.143 4.105 -7.800 1.00 0.00 C ATOM 0 H ALA A 41 2.267 3.243 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 41 3.066 2.001 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.627 4.267 -8.763 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.065 4.216 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.510 4.838 -7.082 1.00 0.00 H new ATOM 653 N ALA A 42 5.569 2.982 -6.108 1.00 0.00 N ATOM 654 CA ALA A 42 6.959 2.683 -5.793 1.00 0.00 C ATOM 655 C ALA A 42 7.090 1.261 -5.249 1.00 0.00 C ATOM 656 O ALA A 42 7.969 0.506 -5.649 1.00 0.00 O ATOM 657 CB ALA A 42 7.517 3.693 -4.801 1.00 0.00 C ATOM 0 H ALA A 42 5.111 3.605 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 42 7.542 2.754 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.556 3.450 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.461 4.693 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.933 3.660 -3.881 1.00 0.00 H new ATOM 663 N PHE A 43 6.190 0.920 -4.332 1.00 0.00 N ATOM 664 CA PHE A 43 6.172 -0.381 -3.655 1.00 0.00 C ATOM 665 C PHE A 43 6.187 -1.551 -4.640 1.00 0.00 C ATOM 666 O PHE A 43 6.994 -2.463 -4.510 1.00 0.00 O ATOM 667 CB PHE A 43 4.937 -0.440 -2.739 1.00 0.00 C ATOM 668 CG PHE A 43 4.496 -1.814 -2.292 1.00 0.00 C ATOM 669 CD1 PHE A 43 5.412 -2.780 -1.899 1.00 0.00 C ATOM 670 CD2 PHE A 43 3.145 -2.128 -2.259 1.00 0.00 C ATOM 671 CE1 PHE A 43 4.989 -4.026 -1.482 1.00 0.00 C ATOM 672 CE2 PHE A 43 2.716 -3.371 -1.837 1.00 0.00 C ATOM 673 CZ PHE A 43 3.641 -4.323 -1.452 1.00 0.00 C ATOM 0 H PHE A 43 5.441 1.544 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 43 7.081 -0.478 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.141 0.159 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.104 0.034 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.468 -2.554 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.419 -1.390 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.712 -4.769 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.661 -3.599 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.310 -5.298 -1.128 1.00 0.00 H new ATOM 683 N ILE A 44 5.308 -1.515 -5.619 1.00 0.00 N ATOM 684 CA ILE A 44 5.195 -2.597 -6.587 1.00 0.00 C ATOM 685 C ILE A 44 6.393 -2.599 -7.528 1.00 0.00 C ATOM 686 O ILE A 44 6.856 -3.651 -7.959 1.00 0.00 O ATOM 687 CB ILE A 44 3.877 -2.503 -7.389 1.00 0.00 C ATOM 688 CG1 ILE A 44 2.686 -2.526 -6.426 1.00 0.00 C ATOM 689 CG2 ILE A 44 3.773 -3.650 -8.389 1.00 0.00 C ATOM 690 CD1 ILE A 44 1.352 -2.263 -7.088 1.00 0.00 C ATOM 0 H ILE A 44 4.656 -0.746 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 44 5.182 -3.537 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 44 3.869 -1.566 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.650 -3.498 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.847 -1.780 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.838 -3.566 -8.943 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.612 -3.605 -9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.794 -4.601 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.561 -2.297 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.366 -1.279 -7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.166 -3.024 -7.846 1.00 0.00 H new ATOM 702 N LYS A 45 6.894 -1.416 -7.837 1.00 0.00 N ATOM 703 CA LYS A 45 8.043 -1.281 -8.713 1.00 0.00 C ATOM 704 C LYS A 45 9.323 -1.766 -8.020 1.00 0.00 C ATOM 705 O LYS A 45 10.080 -2.561 -8.577 1.00 0.00 O ATOM 706 CB LYS A 45 8.193 0.188 -9.115 1.00 0.00 C ATOM 707 CG LYS A 45 9.177 0.422 -10.243 1.00 0.00 C ATOM 708 CD LYS A 45 8.672 -0.138 -11.566 1.00 0.00 C ATOM 709 CE LYS A 45 7.674 0.794 -12.247 1.00 0.00 C ATOM 710 NZ LYS A 45 6.398 0.941 -11.496 1.00 0.00 N ATOM 0 H LYS A 45 6.521 -0.532 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 45 7.886 -1.896 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.218 0.574 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.511 0.761 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.360 1.491 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.131 -0.042 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.518 -0.310 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.202 -1.106 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.130 1.776 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.458 0.416 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.621 1.123 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.203 0.066 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.476 1.736 -10.831 1.00 0.00 H new ATOM 724 N GLN A 46 9.539 -1.289 -6.799 1.00 0.00 N ATOM 725 CA GLN A 46 10.775 -1.544 -6.059 1.00 0.00 C ATOM 726 C GLN A 46 10.747 -2.889 -5.322 1.00 0.00 C ATOM 727 O GLN A 46 11.698 -3.669 -5.396 1.00 0.00 O ATOM 728 CB GLN A 46 11.002 -0.397 -5.067 1.00 0.00 C ATOM 729 CG GLN A 46 12.271 -0.509 -4.244 1.00 0.00 C ATOM 730 CD GLN A 46 12.475 0.700 -3.352 1.00 0.00 C ATOM 731 OE1 GLN A 46 13.104 1.682 -3.746 1.00 0.00 O ATOM 732 NE2 GLN A 46 11.936 0.647 -2.146 1.00 0.00 N ATOM 0 H GLN A 46 8.865 -0.715 -6.293 1.00 0.00 H new ATOM 0 HA GLN A 46 11.597 -1.596 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.026 0.543 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.150 -0.347 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.228 -1.409 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.127 -0.617 -4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.421 -0.184 -1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.035 1.437 -1.508 1.00 0.00 H new ATOM 741 N ARG A 47 9.657 -3.152 -4.618 1.00 0.00 N ATOM 742 CA ARG A 47 9.524 -4.372 -3.821 1.00 0.00 C ATOM 743 C ARG A 47 8.741 -5.427 -4.592 1.00 0.00 C ATOM 744 O ARG A 47 9.169 -6.577 -4.688 1.00 0.00 O ATOM 745 CB ARG A 47 8.825 -4.054 -2.490 1.00 0.00 C ATOM 746 CG ARG A 47 8.513 -5.275 -1.630 1.00 0.00 C ATOM 747 CD ARG A 47 9.759 -6.082 -1.311 1.00 0.00 C ATOM 748 NE ARG A 47 10.807 -5.263 -0.710 1.00 0.00 N ATOM 749 CZ ARG A 47 12.108 -5.494 -0.869 1.00 0.00 C ATOM 750 NH1 ARG A 47 12.515 -6.522 -1.604 1.00 0.00 N ATOM 751 NH2 ARG A 47 12.999 -4.696 -0.300 1.00 0.00 N ATOM 0 H ARG A 47 8.845 -2.536 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 47 10.518 -4.766 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.455 -3.374 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.895 -3.526 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.042 -4.953 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.794 -5.909 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.500 -6.894 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.137 -6.540 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 47 10.526 -4.468 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.831 -7.135 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.512 -6.699 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.688 -3.903 0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.996 -4.875 -0.423 1.00 0.00 H new ATOM 765 N THR A 48 7.591 -5.019 -5.117 1.00 0.00 N ATOM 766 CA THR A 48 6.741 -5.879 -5.934 1.00 0.00 C ATOM 767 C THR A 48 5.896 -6.821 -5.074 1.00 0.00 C ATOM 768 O THR A 48 6.412 -7.563 -4.237 1.00 0.00 O ATOM 769 CB THR A 48 7.560 -6.697 -6.958 1.00 0.00 C ATOM 770 OG1 THR A 48 8.340 -5.818 -7.780 1.00 0.00 O ATOM 771 CG2 THR A 48 6.643 -7.530 -7.834 1.00 0.00 C ATOM 0 H THR A 48 7.220 -4.078 -4.987 1.00 0.00 H new ATOM 0 HA THR A 48 6.072 -5.216 -6.482 1.00 0.00 H new ATOM 0 HB THR A 48 8.224 -7.364 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.780 -5.075 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.239 -8.098 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.070 -8.217 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.960 -6.874 -8.373 1.00 0.00 H new ATOM 779 N ALA A 49 4.590 -6.776 -5.287 1.00 0.00 N ATOM 780 CA ALA A 49 3.663 -7.635 -4.566 1.00 0.00 C ATOM 781 C ALA A 49 3.084 -8.695 -5.496 1.00 0.00 C ATOM 782 O ALA A 49 1.875 -8.924 -5.523 1.00 0.00 O ATOM 783 CB ALA A 49 2.552 -6.805 -3.944 1.00 0.00 C ATOM 0 H ALA A 49 4.146 -6.149 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 49 4.206 -8.141 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.865 -7.460 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.982 -6.083 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.011 -6.276 -4.728 1.00 0.00 H new ATOM 789 N LYS A 50 3.959 -9.337 -6.259 1.00 0.00 N ATOM 790 CA LYS A 50 3.536 -10.352 -7.214 1.00 0.00 C ATOM 791 C LYS A 50 4.595 -11.437 -7.351 1.00 0.00 C ATOM 792 O LYS A 50 4.368 -12.585 -6.975 1.00 0.00 O ATOM 793 CB LYS A 50 3.249 -9.720 -8.580 1.00 0.00 C ATOM 794 CG LYS A 50 2.830 -10.727 -9.638 1.00 0.00 C ATOM 795 CD LYS A 50 2.483 -10.044 -10.948 1.00 0.00 C ATOM 796 CE LYS A 50 2.086 -11.054 -12.011 1.00 0.00 C ATOM 797 NZ LYS A 50 0.946 -11.905 -11.580 1.00 0.00 N ATOM 0 H LYS A 50 4.965 -9.173 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 50 2.619 -10.807 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.462 -8.974 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.140 -9.194 -8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.637 -11.442 -9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.969 -11.293 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.665 -9.341 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.338 -9.464 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.818 -10.528 -12.927 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.942 -11.687 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.557 -12.408 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.275 -12.596 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.207 -11.307 -11.158 1.00 0.00 H new ATOM 811 N TYR A 51 5.755 -11.065 -7.891 1.00 0.00 N ATOM 812 CA TYR A 51 6.866 -11.999 -8.029 1.00 0.00 C ATOM 813 C TYR A 51 7.306 -12.481 -6.652 1.00 0.00 C ATOM 814 O TYR A 51 7.342 -11.698 -5.698 1.00 0.00 O ATOM 815 CB TYR A 51 8.052 -11.337 -8.743 1.00 0.00 C ATOM 816 CG TYR A 51 7.744 -10.809 -10.130 1.00 0.00 C ATOM 817 CD1 TYR A 51 7.232 -9.536 -10.304 1.00 0.00 C ATOM 818 CD2 TYR A 51 7.987 -11.576 -11.262 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.962 -9.037 -11.559 1.00 0.00 C ATOM 820 CE2 TYR A 51 7.723 -11.082 -12.527 1.00 0.00 C ATOM 821 CZ TYR A 51 7.209 -9.810 -12.669 1.00 0.00 C ATOM 822 OH TYR A 51 6.947 -9.302 -13.920 1.00 0.00 O ATOM 0 H TYR A 51 5.947 -10.125 -8.238 1.00 0.00 H new ATOM 0 HA TYR A 51 6.530 -12.846 -8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.414 -10.513 -8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.864 -12.061 -8.817 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.040 -8.920 -9.438 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.388 -12.573 -11.153 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.558 -8.042 -11.671 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.918 -11.689 -13.399 1.00 0.00 H new ATOM 0 HH TYR A 51 7.176 -9.970 -14.599 1.00 0.00 H new ATOM 832 N VAL A 52 7.645 -13.758 -6.550 1.00 0.00 N ATOM 833 CA VAL A 52 8.038 -14.348 -5.278 1.00 0.00 C ATOM 834 C VAL A 52 9.530 -14.148 -5.018 1.00 0.00 C ATOM 835 O VAL A 52 10.242 -15.078 -4.642 1.00 0.00 O ATOM 836 CB VAL A 52 7.683 -15.850 -5.203 1.00 0.00 C ATOM 837 CG1 VAL A 52 6.175 -16.034 -5.145 1.00 0.00 C ATOM 838 CG2 VAL A 52 8.266 -16.615 -6.385 1.00 0.00 C ATOM 0 H VAL A 52 7.656 -14.408 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 52 7.473 -13.831 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 52 8.123 -16.255 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.940 -17.097 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.781 -15.531 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.722 -15.606 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.999 -17.669 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.865 -16.210 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.351 -16.515 -6.384 1.00 0.00 H new ATOM 848 N ALA A 53 9.989 -12.915 -5.194 1.00 0.00 N ATOM 849 CA ALA A 53 11.389 -12.574 -4.987 1.00 0.00 C ATOM 850 C ALA A 53 11.764 -12.679 -3.512 1.00 0.00 C ATOM 851 O ALA A 53 12.936 -12.817 -3.167 1.00 0.00 O ATOM 852 CB ALA A 53 11.680 -11.175 -5.506 1.00 0.00 C ATOM 0 H ALA A 53 9.406 -12.129 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 53 11.995 -13.287 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.731 -10.938 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.459 -11.129 -6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.059 -10.454 -4.976 1.00 0.00 H new ATOM 858 N ASN A 54 10.765 -12.592 -2.642 1.00 0.00 N ATOM 859 CA ASN A 54 10.983 -12.753 -1.208 1.00 0.00 C ATOM 860 C ASN A 54 11.270 -14.212 -0.871 1.00 0.00 C ATOM 861 O ASN A 54 12.047 -14.514 0.037 1.00 0.00 O ATOM 862 CB ASN A 54 9.757 -12.265 -0.427 1.00 0.00 C ATOM 863 CG ASN A 54 9.905 -12.430 1.076 1.00 0.00 C ATOM 864 OD1 ASN A 54 9.547 -13.466 1.640 1.00 0.00 O ATOM 865 ND2 ASN A 54 10.422 -11.406 1.735 1.00 0.00 N ATOM 0 H ASN A 54 9.796 -12.411 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 54 11.847 -12.153 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.582 -11.214 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.877 -12.815 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.537 -11.456 2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.706 -10.566 1.231 1.00 0.00 H new ATOM 872 N GLN A 55 10.662 -15.110 -1.637 1.00 0.00 N ATOM 873 CA GLN A 55 10.767 -16.537 -1.381 1.00 0.00 C ATOM 874 C GLN A 55 12.110 -17.082 -1.864 1.00 0.00 C ATOM 875 O GLN A 55 12.477 -16.917 -3.028 1.00 0.00 O ATOM 876 CB GLN A 55 9.619 -17.279 -2.066 1.00 0.00 C ATOM 877 CG GLN A 55 9.617 -18.775 -1.800 1.00 0.00 C ATOM 878 CD GLN A 55 8.457 -19.488 -2.460 1.00 0.00 C ATOM 879 OE1 GLN A 55 7.973 -19.079 -3.513 1.00 0.00 O ATOM 880 NE2 GLN A 55 8.003 -20.560 -1.837 1.00 0.00 N ATOM 0 H GLN A 55 10.088 -14.870 -2.445 1.00 0.00 H new ATOM 0 HA GLN A 55 10.703 -16.697 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.672 -16.857 -1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.678 -17.110 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.553 -19.204 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.579 -18.948 -0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.435 -20.864 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.220 -21.084 -2.228 1.00 0.00 H new ATOM 889 N PRO A 56 12.865 -17.720 -0.966 1.00 0.00 N ATOM 890 CA PRO A 56 14.152 -18.304 -1.285 1.00 0.00 C ATOM 891 C PRO A 56 14.047 -19.774 -1.686 1.00 0.00 C ATOM 892 O PRO A 56 13.349 -20.562 -1.045 1.00 0.00 O ATOM 893 CB PRO A 56 14.911 -18.161 0.031 1.00 0.00 C ATOM 894 CG PRO A 56 13.863 -18.175 1.107 1.00 0.00 C ATOM 895 CD PRO A 56 12.528 -17.913 0.448 1.00 0.00 C ATOM 0 HA PRO A 56 14.630 -17.820 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 56 15.621 -18.978 0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 56 15.484 -17.234 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.854 -19.136 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 56 14.075 -17.414 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 56 11.844 -18.750 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.042 -17.032 0.867 1.00 0.00 H new ATOM 903 N GLY A 57 14.755 -20.142 -2.742 1.00 0.00 N ATOM 904 CA GLY A 57 14.770 -21.525 -3.177 1.00 0.00 C ATOM 905 C GLY A 57 15.940 -22.266 -2.574 1.00 0.00 C ATOM 906 O GLY A 57 16.678 -22.959 -3.273 1.00 0.00 O ATOM 0 H GLY A 57 15.320 -19.508 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.838 -22.011 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.828 -21.568 -4.265 1.00 0.00 H new ATOM 910 N MET A 58 16.112 -22.103 -1.273 1.00 0.00 N ATOM 911 CA MET A 58 17.269 -22.644 -0.582 1.00 0.00 C ATOM 912 C MET A 58 17.029 -24.069 -0.101 1.00 0.00 C ATOM 913 O MET A 58 16.078 -24.329 0.640 1.00 0.00 O ATOM 914 CB MET A 58 17.637 -21.759 0.607 1.00 0.00 C ATOM 915 CG MET A 58 18.138 -20.379 0.218 1.00 0.00 C ATOM 916 SD MET A 58 18.455 -19.335 1.656 1.00 0.00 S ATOM 917 CE MET A 58 19.581 -20.379 2.580 1.00 0.00 C ATOM 0 H MET A 58 15.461 -21.598 -0.672 1.00 0.00 H new ATOM 0 HA MET A 58 18.092 -22.663 -1.296 1.00 0.00 H new ATOM 0 HB2 MET A 58 16.763 -21.649 1.249 1.00 0.00 H new ATOM 0 HB3 MET A 58 18.405 -22.260 1.196 1.00 0.00 H new ATOM 0 HG2 MET A 58 19.054 -20.478 -0.365 1.00 0.00 H new ATOM 0 HG3 MET A 58 17.402 -19.895 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 58 20.239 -19.757 3.187 1.00 0.00 H new ATOM 0 HE2 MET A 58 19.011 -21.044 3.228 1.00 0.00 H new ATOM 0 HE3 MET A 58 20.179 -20.972 1.888 1.00 0.00 H new ATOM 927 N GLN A 59 17.896 -24.968 -0.561 1.00 0.00 N ATOM 928 CA GLN A 59 17.996 -26.346 -0.077 1.00 0.00 C ATOM 929 C GLN A 59 18.793 -27.156 -1.082 1.00 0.00 C ATOM 930 O GLN A 59 20.019 -27.269 -0.912 1.00 0.00 O ATOM 931 CB GLN A 59 16.637 -27.022 0.144 1.00 0.00 C ATOM 932 CG GLN A 59 16.758 -28.395 0.790 1.00 0.00 C ATOM 933 CD GLN A 59 15.427 -28.991 1.198 1.00 0.00 C ATOM 934 OE1 GLN A 59 15.349 -29.740 2.171 1.00 0.00 O ATOM 935 NE2 GLN A 59 14.375 -28.682 0.456 1.00 0.00 N ATOM 936 OXT GLN A 59 18.195 -27.635 -2.065 1.00 0.00 O ATOM 0 H GLN A 59 18.566 -24.754 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 59 18.487 -26.308 0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 59 16.017 -26.383 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.125 -27.120 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 59 17.252 -29.073 0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 59 17.398 -28.319 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.480 -28.057 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.459 -29.069 0.684 1.00 0.00 H new TER 945 GLN A 59