USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 73 MET CE :methyl -135:sc=-0.00739 (180deg=-0.373) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 25 ASN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.0995 F(o=-0.61,f=-0.099) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -128:sc= 0 (180deg=-0.062) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= 0.773 (180deg=0.519) USER MOD Single : A 53 MET CE :methyl 137:sc= -0.304 (180deg=-2.8) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.49 K(o=0.49,f=-3.9!) USER MOD Single : A 59 TYR OH : rot 19:sc= 1.21 USER MOD Single : A 61 MET CE :methyl 173:sc= -1.44 (180deg=-1.69) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.52 K(o=0.52,f=-0.013) USER MOD Single : A 71 GLN : amide:sc= 0.912 K(o=0.91,f=-0.3) USER MOD Single : A 72 HIS : no HD1:sc= 0.222 K(o=0.22,f=-1.5!) USER MOD Single : A 76 CYS SG : rot 160:sc= -0.655 USER MOD Single : A 88 GLN : amide:sc= 0.141 X(o=0.14,f=-0.26) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.1 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 174:sc= -0.01 (180deg=-0.0825) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= 1.14 (180deg=1.02) USER MOD Single : A 105 ASN : amide:sc= 1.18 K(o=1.2,f=-2.1!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 1.263 11.044 6.263 1.00 0.00 N ATOM 2 CA GLN A 23 2.410 11.943 6.431 1.00 0.00 C ATOM 3 C GLN A 23 3.753 11.184 6.533 1.00 0.00 C ATOM 4 O GLN A 23 3.817 9.954 6.415 1.00 0.00 O ATOM 5 CB GLN A 23 2.168 12.871 7.644 1.00 0.00 C ATOM 6 CG GLN A 23 0.928 13.770 7.471 1.00 0.00 C ATOM 7 CD GLN A 23 0.713 14.757 8.623 1.00 0.00 C ATOM 8 OE1 GLN A 23 1.435 14.804 9.614 1.00 0.00 O ATOM 9 NE2 GLN A 23 -0.301 15.596 8.543 1.00 0.00 N ATOM 0 HA GLN A 23 2.495 12.557 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.049 12.264 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.047 13.498 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.023 14.328 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.044 13.139 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.916 15.577 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.471 16.264 9.295 1.00 0.00 H new ATOM 18 N ILE A 24 4.847 11.928 6.723 1.00 0.00 N ATOM 19 CA ILE A 24 6.227 11.418 6.797 1.00 0.00 C ATOM 20 C ILE A 24 6.400 10.501 8.022 1.00 0.00 C ATOM 21 O ILE A 24 5.998 10.850 9.134 1.00 0.00 O ATOM 22 CB ILE A 24 7.222 12.603 6.821 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.081 13.497 5.565 1.00 0.00 C ATOM 24 CG2 ILE A 24 8.680 12.113 6.915 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.540 14.940 5.812 1.00 0.00 C ATOM 0 H ILE A 24 4.798 12.941 6.834 1.00 0.00 H new ATOM 0 HA ILE A 24 6.438 10.817 5.912 1.00 0.00 H new ATOM 0 HB ILE A 24 6.977 13.189 7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.666 13.068 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.040 13.501 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.352 12.971 6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.811 11.534 7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.910 11.487 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.419 15.522 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.938 15.382 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.589 14.943 6.108 1.00 0.00 H new ATOM 37 N ASN A 25 7.013 9.329 7.809 1.00 0.00 N ATOM 38 CA ASN A 25 7.281 8.320 8.844 1.00 0.00 C ATOM 39 C ASN A 25 8.778 7.985 8.937 1.00 0.00 C ATOM 40 O ASN A 25 9.458 8.395 9.879 1.00 0.00 O ATOM 41 CB ASN A 25 6.379 7.089 8.615 1.00 0.00 C ATOM 42 CG ASN A 25 4.998 7.249 9.239 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.715 6.717 10.304 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.093 7.978 8.624 1.00 0.00 N ATOM 0 H ASN A 25 7.346 9.048 6.887 1.00 0.00 H new ATOM 0 HA ASN A 25 7.025 8.727 9.822 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.272 6.916 7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.862 6.206 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.167 8.095 9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.317 8.427 7.736 1.00 0.00 H new ATOM 51 N GLN A 26 9.287 7.271 7.934 1.00 0.00 N ATOM 52 CA GLN A 26 10.699 6.907 7.776 1.00 0.00 C ATOM 53 C GLN A 26 11.106 6.859 6.295 1.00 0.00 C ATOM 54 O GLN A 26 10.394 6.281 5.476 1.00 0.00 O ATOM 55 CB GLN A 26 10.901 5.531 8.437 1.00 0.00 C ATOM 56 CG GLN A 26 9.982 4.404 7.905 1.00 0.00 C ATOM 57 CD GLN A 26 10.752 3.312 7.160 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.134 2.288 7.714 1.00 0.00 O ATOM 59 NE2 GLN A 26 11.017 3.490 5.883 1.00 0.00 N ATOM 0 H GLN A 26 8.705 6.914 7.176 1.00 0.00 H new ATOM 0 HA GLN A 26 11.329 7.659 8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.939 5.228 8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.740 5.634 9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.443 3.957 8.740 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.235 4.835 7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.704 4.338 5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.535 2.780 5.366 1.00 0.00 H new ATOM 68 N VAL A 27 12.255 7.439 5.941 1.00 0.00 N ATOM 69 CA VAL A 27 12.820 7.437 4.570 1.00 0.00 C ATOM 70 C VAL A 27 14.299 7.851 4.546 1.00 0.00 C ATOM 71 O VAL A 27 14.765 8.538 5.455 1.00 0.00 O ATOM 72 CB VAL A 27 11.972 8.354 3.664 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.038 9.803 4.148 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.332 8.266 2.174 1.00 0.00 C ATOM 0 H VAL A 27 12.841 7.939 6.610 1.00 0.00 H new ATOM 0 HA VAL A 27 12.782 6.416 4.190 1.00 0.00 H new ATOM 0 HB VAL A 27 10.949 7.988 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.433 10.433 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.656 9.864 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.072 10.147 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.692 8.940 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.375 8.551 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.185 7.244 1.824 1.00 0.00 H new ATOM 84 N ARG A 28 15.019 7.537 3.462 1.00 0.00 N ATOM 85 CA ARG A 28 16.365 8.042 3.151 1.00 0.00 C ATOM 86 C ARG A 28 16.484 8.202 1.617 1.00 0.00 C ATOM 87 O ARG A 28 16.292 7.211 0.907 1.00 0.00 O ATOM 88 CB ARG A 28 17.431 7.042 3.658 1.00 0.00 C ATOM 89 CG ARG A 28 17.555 6.838 5.180 1.00 0.00 C ATOM 90 CD ARG A 28 18.280 7.960 5.939 1.00 0.00 C ATOM 91 NE ARG A 28 17.519 9.226 5.997 1.00 0.00 N ATOM 92 CZ ARG A 28 17.946 10.363 6.518 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.064 10.439 7.184 1.00 0.00 N ATOM 94 NH2 ARG A 28 17.260 11.460 6.381 1.00 0.00 N ATOM 0 H ARG A 28 14.667 6.899 2.748 1.00 0.00 H new ATOM 0 HA ARG A 28 16.527 9.002 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.223 6.072 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.401 7.367 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.554 6.728 5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.081 5.901 5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.487 7.624 6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.242 8.146 5.462 1.00 0.00 H new ATOM 0 HE ARG A 28 16.580 9.222 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.637 9.605 7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.366 11.332 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.380 11.450 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.602 12.330 6.789 1.00 0.00 H new ATOM 108 N PRO A 29 16.730 9.415 1.089 1.00 0.00 N ATOM 109 CA PRO A 29 16.825 9.680 -0.351 1.00 0.00 C ATOM 110 C PRO A 29 18.266 9.543 -0.882 1.00 0.00 C ATOM 111 O PRO A 29 19.221 9.393 -0.115 1.00 0.00 O ATOM 112 CB PRO A 29 16.270 11.098 -0.485 1.00 0.00 C ATOM 113 CG PRO A 29 16.837 11.778 0.758 1.00 0.00 C ATOM 114 CD PRO A 29 16.742 10.681 1.815 1.00 0.00 C ATOM 0 HA PRO A 29 16.270 8.960 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.604 11.582 -1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.180 11.110 -0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.865 12.106 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.259 12.659 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.587 10.728 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.838 10.795 2.414 1.00 0.00 H new ATOM 122 N LYS A 30 18.425 9.642 -2.210 1.00 0.00 N ATOM 123 CA LYS A 30 19.733 9.720 -2.892 1.00 0.00 C ATOM 124 C LYS A 30 20.132 11.181 -3.094 1.00 0.00 C ATOM 125 O LYS A 30 19.275 12.007 -3.400 1.00 0.00 O ATOM 126 CB LYS A 30 19.648 8.955 -4.224 1.00 0.00 C ATOM 127 CG LYS A 30 20.976 8.378 -4.744 1.00 0.00 C ATOM 128 CD LYS A 30 21.513 7.219 -3.885 1.00 0.00 C ATOM 129 CE LYS A 30 22.611 6.469 -4.651 1.00 0.00 C ATOM 130 NZ LYS A 30 23.185 5.354 -3.848 1.00 0.00 N ATOM 0 H LYS A 30 17.636 9.671 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 30 20.508 9.257 -2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.937 8.137 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.242 9.625 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.837 8.029 -5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.721 9.173 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.910 7.604 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.702 6.536 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.200 6.073 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 30 23.404 7.165 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.923 4.872 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.600 5.734 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.434 4.676 -3.609 1.00 0.00 H new ATOM 144 N LEU A 31 21.416 11.510 -2.979 1.00 0.00 N ATOM 145 CA LEU A 31 21.887 12.907 -2.942 1.00 0.00 C ATOM 146 C LEU A 31 21.536 13.742 -4.194 1.00 0.00 C ATOM 147 O LEU A 31 21.061 14.864 -4.022 1.00 0.00 O ATOM 148 CB LEU A 31 23.388 12.923 -2.575 1.00 0.00 C ATOM 149 CG LEU A 31 24.054 14.315 -2.521 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.408 15.244 -1.492 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.531 14.158 -2.157 1.00 0.00 C ATOM 0 H LEU A 31 22.165 10.822 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 31 21.332 13.425 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.510 12.445 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.926 12.312 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 31 23.928 14.762 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.919 16.207 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.357 15.389 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.488 14.799 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.003 15.140 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.616 13.676 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.028 13.546 -2.910 1.00 0.00 H new ATOM 163 N PRO A 32 21.635 13.229 -5.437 1.00 0.00 N ATOM 164 CA PRO A 32 21.215 13.996 -6.614 1.00 0.00 C ATOM 165 C PRO A 32 19.703 14.246 -6.685 1.00 0.00 C ATOM 166 O PRO A 32 19.276 15.225 -7.291 1.00 0.00 O ATOM 167 CB PRO A 32 21.730 13.205 -7.822 1.00 0.00 C ATOM 168 CG PRO A 32 22.847 12.333 -7.254 1.00 0.00 C ATOM 169 CD PRO A 32 22.316 12.014 -5.862 1.00 0.00 C ATOM 0 HA PRO A 32 21.632 15.002 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.940 12.600 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.101 13.869 -8.603 1.00 0.00 H new ATOM 0 HG2 PRO A 32 23.005 11.433 -7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.800 12.861 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.633 11.165 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.125 11.755 -5.180 1.00 0.00 H new ATOM 177 N LEU A 33 18.890 13.403 -6.035 1.00 0.00 N ATOM 178 CA LEU A 33 17.427 13.505 -6.035 1.00 0.00 C ATOM 179 C LEU A 33 16.952 14.380 -4.879 1.00 0.00 C ATOM 180 O LEU A 33 16.079 15.214 -5.083 1.00 0.00 O ATOM 181 CB LEU A 33 16.777 12.104 -6.085 1.00 0.00 C ATOM 182 CG LEU A 33 16.434 11.592 -7.502 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.290 12.394 -8.133 1.00 0.00 C ATOM 184 CD2 LEU A 33 17.621 11.628 -8.467 1.00 0.00 C ATOM 0 H LEU A 33 19.238 12.618 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 33 17.095 14.009 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.451 11.391 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.863 12.123 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 33 16.137 10.554 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.078 12.004 -9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.399 12.307 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.579 13.442 -8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.308 11.255 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.977 12.653 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.424 11.001 -8.079 1.00 0.00 H new ATOM 196 N LEU A 34 17.584 14.284 -3.704 1.00 0.00 N ATOM 197 CA LEU A 34 17.413 15.231 -2.593 1.00 0.00 C ATOM 198 C LEU A 34 17.505 16.677 -3.091 1.00 0.00 C ATOM 199 O LEU A 34 16.667 17.495 -2.732 1.00 0.00 O ATOM 200 CB LEU A 34 18.524 14.949 -1.579 1.00 0.00 C ATOM 201 CG LEU A 34 18.671 15.910 -0.378 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.799 15.276 0.451 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.216 17.311 -0.670 1.00 0.00 C ATOM 0 H LEU A 34 18.241 13.533 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 34 16.431 15.106 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.370 13.944 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.472 14.939 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 34 17.676 16.030 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.986 15.884 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.506 14.272 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.706 15.222 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.269 17.882 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.213 17.231 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.555 17.820 -1.372 1.00 0.00 H new ATOM 215 N LYS A 35 18.486 16.997 -3.947 1.00 0.00 N ATOM 216 CA LYS A 35 18.642 18.350 -4.505 1.00 0.00 C ATOM 217 C LYS A 35 17.467 18.766 -5.394 1.00 0.00 C ATOM 218 O LYS A 35 17.062 19.922 -5.321 1.00 0.00 O ATOM 219 CB LYS A 35 19.993 18.477 -5.233 1.00 0.00 C ATOM 220 CG LYS A 35 21.230 18.383 -4.321 1.00 0.00 C ATOM 221 CD LYS A 35 21.249 19.377 -3.146 1.00 0.00 C ATOM 222 CE LYS A 35 21.127 20.860 -3.516 1.00 0.00 C ATOM 223 NZ LYS A 35 22.332 21.380 -4.225 1.00 0.00 N ATOM 0 H LYS A 35 19.189 16.332 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 35 18.637 19.050 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.057 17.695 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.018 19.432 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.292 17.371 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.122 18.542 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.433 19.124 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.177 19.237 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.250 21.001 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.964 21.444 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.195 22.386 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.167 21.273 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.475 20.844 -5.105 1.00 0.00 H new ATOM 237 N ILE A 36 16.849 17.841 -6.135 1.00 0.00 N ATOM 238 CA ILE A 36 15.579 18.099 -6.844 1.00 0.00 C ATOM 239 C ILE A 36 14.467 18.370 -5.822 1.00 0.00 C ATOM 240 O ILE A 36 13.684 19.303 -5.977 1.00 0.00 O ATOM 241 CB ILE A 36 15.180 16.930 -7.775 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.317 16.457 -8.703 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.963 17.314 -8.632 1.00 0.00 C ATOM 244 CD1 ILE A 36 17.187 17.547 -9.332 1.00 0.00 C ATOM 0 H ILE A 36 17.208 16.895 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 36 15.722 18.975 -7.476 1.00 0.00 H new ATOM 0 HB ILE A 36 14.938 16.099 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.965 15.790 -8.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.877 15.866 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.697 16.479 -9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.121 17.552 -7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.207 18.184 -9.242 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.948 17.087 -9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.564 18.205 -9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.669 18.127 -8.545 1.00 0.00 H new ATOM 256 N LEU A 37 14.443 17.586 -4.739 1.00 0.00 N ATOM 257 CA LEU A 37 13.437 17.649 -3.678 1.00 0.00 C ATOM 258 C LEU A 37 13.470 18.986 -2.929 1.00 0.00 C ATOM 259 O LEU A 37 12.448 19.659 -2.797 1.00 0.00 O ATOM 260 CB LEU A 37 13.504 16.370 -2.816 1.00 0.00 C ATOM 261 CG LEU A 37 13.131 15.118 -3.647 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.567 13.806 -3.004 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.628 15.031 -3.879 1.00 0.00 C ATOM 0 H LEU A 37 15.147 16.867 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 37 12.435 17.648 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.509 16.254 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.825 16.463 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 37 13.667 15.245 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.272 12.973 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.650 13.803 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.091 13.703 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.401 14.141 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.114 14.974 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.291 15.916 -4.419 1.00 0.00 H new ATOM 275 N HIS A 38 14.661 19.444 -2.552 1.00 0.00 N ATOM 276 CA HIS A 38 14.882 20.775 -1.976 1.00 0.00 C ATOM 277 C HIS A 38 14.573 21.888 -2.998 1.00 0.00 C ATOM 278 O HIS A 38 13.860 22.831 -2.662 1.00 0.00 O ATOM 279 CB HIS A 38 16.337 20.900 -1.509 1.00 0.00 C ATOM 280 CG HIS A 38 16.683 20.157 -0.237 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.050 19.056 0.269 1.00 0.00 N flip ATOM 282 CD2 HIS A 38 17.750 20.482 0.604 1.00 0.00 C flip ATOM 283 CE1 HIS A 38 16.732 18.698 1.411 1.00 0.00 C flip ATOM 284 NE2 HIS A 38 17.747 19.565 1.585 1.00 0.00 N flip ATOM 0 H HIS A 38 15.516 18.895 -2.638 1.00 0.00 H new ATOM 0 HA HIS A 38 14.207 20.893 -1.128 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.988 20.541 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.564 21.956 -1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 38 18.439 21.306 0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.493 17.865 2.056 1.00 0.00 H new ATOM 0 HE2 HIS A 38 18.418 19.530 2.352 1.00 0.00 H new ATOM 292 N ALA A 39 15.043 21.782 -4.254 1.00 0.00 N ATOM 293 CA ALA A 39 14.838 22.814 -5.282 1.00 0.00 C ATOM 294 C ALA A 39 13.358 22.996 -5.672 1.00 0.00 C ATOM 295 O ALA A 39 12.933 24.108 -5.992 1.00 0.00 O ATOM 296 CB ALA A 39 15.690 22.471 -6.510 1.00 0.00 C ATOM 0 H ALA A 39 15.576 20.977 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 39 15.152 23.769 -4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.544 23.231 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.742 22.439 -6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.390 21.499 -6.901 1.00 0.00 H new ATOM 302 N ALA A 40 12.558 21.927 -5.585 1.00 0.00 N ATOM 303 CA ALA A 40 11.096 21.994 -5.716 1.00 0.00 C ATOM 304 C ALA A 40 10.425 22.807 -4.585 1.00 0.00 C ATOM 305 O ALA A 40 9.339 23.358 -4.778 1.00 0.00 O ATOM 306 CB ALA A 40 10.552 20.560 -5.739 1.00 0.00 C ATOM 0 H ALA A 40 12.909 20.983 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 40 10.859 22.517 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.467 20.584 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.980 20.022 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.822 20.053 -4.813 1.00 0.00 H new ATOM 312 N GLY A 41 11.060 22.898 -3.411 1.00 0.00 N ATOM 313 CA GLY A 41 10.570 23.657 -2.255 1.00 0.00 C ATOM 314 C GLY A 41 10.861 23.020 -0.889 1.00 0.00 C ATOM 315 O GLY A 41 10.574 23.651 0.132 1.00 0.00 O ATOM 0 H GLY A 41 11.951 22.434 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.015 24.652 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.493 23.788 -2.356 1.00 0.00 H new ATOM 319 N ALA A 42 11.410 21.798 -0.837 1.00 0.00 N ATOM 320 CA ALA A 42 11.729 21.128 0.424 1.00 0.00 C ATOM 321 C ALA A 42 13.005 21.677 1.113 1.00 0.00 C ATOM 322 O ALA A 42 13.648 22.633 0.674 1.00 0.00 O ATOM 323 CB ALA A 42 11.776 19.608 0.195 1.00 0.00 C ATOM 0 H ALA A 42 11.643 21.251 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 42 10.932 21.349 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.014 19.106 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.806 19.264 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.541 19.375 -0.545 1.00 0.00 H new ATOM 329 N GLN A 43 13.342 21.028 2.223 1.00 0.00 N ATOM 330 CA GLN A 43 14.432 21.308 3.167 1.00 0.00 C ATOM 331 C GLN A 43 14.511 20.144 4.180 1.00 0.00 C ATOM 332 O GLN A 43 13.486 19.742 4.737 1.00 0.00 O ATOM 333 CB GLN A 43 14.159 22.636 3.906 1.00 0.00 C ATOM 334 CG GLN A 43 15.300 23.045 4.853 1.00 0.00 C ATOM 335 CD GLN A 43 15.045 24.412 5.488 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.571 25.435 5.067 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.224 24.494 6.518 1.00 0.00 N ATOM 0 H GLN A 43 12.809 20.210 2.518 1.00 0.00 H new ATOM 0 HA GLN A 43 15.377 21.399 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.002 23.427 3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.236 22.544 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.410 22.295 5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.240 23.070 4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.777 23.653 6.882 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.037 25.399 6.950 1.00 0.00 H new ATOM 346 N GLY A 44 15.713 19.610 4.425 1.00 0.00 N ATOM 347 CA GLY A 44 15.930 18.378 5.203 1.00 0.00 C ATOM 348 C GLY A 44 15.556 17.114 4.414 1.00 0.00 C ATOM 349 O GLY A 44 14.469 17.009 3.855 1.00 0.00 O ATOM 0 H GLY A 44 16.579 20.027 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.977 18.320 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.339 18.420 6.118 1.00 0.00 H new ATOM 353 N GLU A 45 16.474 16.151 4.320 1.00 0.00 N ATOM 354 CA GLU A 45 16.397 14.959 3.459 1.00 0.00 C ATOM 355 C GLU A 45 15.522 13.822 4.021 1.00 0.00 C ATOM 356 O GLU A 45 15.934 12.666 4.135 1.00 0.00 O ATOM 357 CB GLU A 45 17.825 14.573 3.047 1.00 0.00 C ATOM 358 CG GLU A 45 18.705 14.022 4.178 1.00 0.00 C ATOM 359 CD GLU A 45 20.200 14.040 3.803 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.884 15.054 4.087 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.710 13.031 3.258 1.00 0.00 O ATOM 0 H GLU A 45 17.335 16.178 4.867 1.00 0.00 H new ATOM 0 HA GLU A 45 15.844 15.199 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.768 13.826 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.313 15.450 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.550 14.614 5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.401 13.001 4.410 1.00 0.00 H new ATOM 368 N MET A 46 14.290 14.156 4.403 1.00 0.00 N ATOM 369 CA MET A 46 13.322 13.223 4.982 1.00 0.00 C ATOM 370 C MET A 46 11.904 13.516 4.452 1.00 0.00 C ATOM 371 O MET A 46 11.126 14.270 5.036 1.00 0.00 O ATOM 372 CB MET A 46 13.427 13.306 6.510 1.00 0.00 C ATOM 373 CG MET A 46 12.401 12.432 7.247 1.00 0.00 C ATOM 374 SD MET A 46 12.969 11.697 8.804 1.00 0.00 S ATOM 375 CE MET A 46 14.089 10.435 8.139 1.00 0.00 C ATOM 0 H MET A 46 13.928 15.106 4.317 1.00 0.00 H new ATOM 0 HA MET A 46 13.543 12.198 4.683 1.00 0.00 H new ATOM 0 HB2 MET A 46 14.430 13.007 6.813 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.296 14.343 6.819 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.517 13.036 7.453 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.089 11.629 6.580 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.839 9.464 8.567 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.985 10.391 7.055 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.117 10.690 8.395 1.00 0.00 H new ATOM 385 N PHE A 47 11.592 12.895 3.317 1.00 0.00 N ATOM 386 CA PHE A 47 10.297 12.949 2.606 1.00 0.00 C ATOM 387 C PHE A 47 9.952 11.573 2.000 1.00 0.00 C ATOM 388 O PHE A 47 10.755 11.013 1.259 1.00 0.00 O ATOM 389 CB PHE A 47 10.314 14.066 1.535 1.00 0.00 C ATOM 390 CG PHE A 47 11.679 14.612 1.143 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.640 13.766 0.561 1.00 0.00 C ATOM 392 CD2 PHE A 47 12.006 15.956 1.401 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.921 14.255 0.259 1.00 0.00 C ATOM 394 CE2 PHE A 47 13.280 16.450 1.072 1.00 0.00 C ATOM 395 CZ PHE A 47 14.239 15.602 0.496 1.00 0.00 C ATOM 0 H PHE A 47 12.268 12.304 2.833 1.00 0.00 H new ATOM 0 HA PHE A 47 9.512 13.194 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.829 13.684 0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.706 14.895 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.392 12.737 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.275 16.610 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.665 13.592 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.522 17.485 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.216 15.983 0.237 1.00 0.00 H new ATOM 405 N THR A 48 8.798 10.991 2.352 1.00 0.00 N ATOM 406 CA THR A 48 8.342 9.638 1.925 1.00 0.00 C ATOM 407 C THR A 48 7.808 9.660 0.488 1.00 0.00 C ATOM 408 O THR A 48 7.682 10.732 -0.087 1.00 0.00 O ATOM 409 CB THR A 48 7.283 9.087 2.910 1.00 0.00 C ATOM 410 OG1 THR A 48 6.517 10.149 3.436 1.00 0.00 O ATOM 411 CG2 THR A 48 7.936 8.363 4.088 1.00 0.00 C ATOM 0 H THR A 48 8.125 11.455 2.962 1.00 0.00 H new ATOM 0 HA THR A 48 9.202 8.968 1.942 1.00 0.00 H new ATOM 0 HB THR A 48 6.658 8.389 2.353 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.848 9.793 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.163 7.989 4.759 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.530 7.527 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.582 9.056 4.628 1.00 0.00 H new ATOM 419 N VAL A 49 7.441 8.524 -0.131 1.00 0.00 N ATOM 420 CA VAL A 49 6.952 8.469 -1.517 1.00 0.00 C ATOM 421 C VAL A 49 5.763 9.402 -1.775 1.00 0.00 C ATOM 422 O VAL A 49 5.706 10.046 -2.819 1.00 0.00 O ATOM 423 CB VAL A 49 6.599 7.016 -1.895 1.00 0.00 C ATOM 424 CG1 VAL A 49 7.780 6.356 -2.608 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.051 6.126 -0.769 1.00 0.00 C ATOM 0 H VAL A 49 7.476 7.611 0.322 1.00 0.00 H new ATOM 0 HA VAL A 49 7.761 8.826 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 49 5.748 7.107 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.520 5.331 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.016 6.914 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.648 6.353 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.842 5.131 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.789 6.054 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.133 6.561 -0.375 1.00 0.00 H new ATOM 435 N LYS A 50 4.880 9.567 -0.783 1.00 0.00 N ATOM 436 CA LYS A 50 3.752 10.517 -0.811 1.00 0.00 C ATOM 437 C LYS A 50 4.214 11.968 -1.023 1.00 0.00 C ATOM 438 O LYS A 50 3.607 12.716 -1.788 1.00 0.00 O ATOM 439 CB LYS A 50 2.986 10.388 0.516 1.00 0.00 C ATOM 440 CG LYS A 50 2.326 9.007 0.695 1.00 0.00 C ATOM 441 CD LYS A 50 1.651 8.835 2.066 1.00 0.00 C ATOM 442 CE LYS A 50 2.667 8.854 3.222 1.00 0.00 C ATOM 443 NZ LYS A 50 2.010 8.576 4.530 1.00 0.00 N ATOM 0 H LYS A 50 4.928 9.032 0.084 1.00 0.00 H new ATOM 0 HA LYS A 50 3.108 10.272 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.671 10.568 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.219 11.161 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.584 8.861 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.081 8.231 0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.922 9.632 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.102 7.894 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.443 8.111 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.159 9.826 3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.637 7.988 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.820 9.473 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.114 8.073 4.369 1.00 0.00 H new ATOM 457 N GLU A 51 5.321 12.341 -0.381 1.00 0.00 N ATOM 458 CA GLU A 51 5.972 13.651 -0.506 1.00 0.00 C ATOM 459 C GLU A 51 6.842 13.750 -1.768 1.00 0.00 C ATOM 460 O GLU A 51 6.748 14.727 -2.503 1.00 0.00 O ATOM 461 CB GLU A 51 6.819 13.918 0.748 1.00 0.00 C ATOM 462 CG GLU A 51 6.030 13.917 2.064 1.00 0.00 C ATOM 463 CD GLU A 51 4.831 14.886 2.040 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.042 16.122 2.025 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.666 14.418 2.047 1.00 0.00 O ATOM 0 H GLU A 51 5.809 11.719 0.264 1.00 0.00 H new ATOM 0 HA GLU A 51 5.192 14.407 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.602 13.163 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.314 14.883 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.672 12.908 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.696 14.190 2.882 1.00 0.00 H new ATOM 472 N VAL A 52 7.660 12.731 -2.057 1.00 0.00 N ATOM 473 CA VAL A 52 8.570 12.684 -3.218 1.00 0.00 C ATOM 474 C VAL A 52 7.798 12.828 -4.525 1.00 0.00 C ATOM 475 O VAL A 52 8.182 13.638 -5.365 1.00 0.00 O ATOM 476 CB VAL A 52 9.406 11.386 -3.208 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.190 11.119 -4.501 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.418 11.431 -2.060 1.00 0.00 C ATOM 0 H VAL A 52 7.712 11.893 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 52 9.256 13.527 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 52 8.679 10.582 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.747 10.187 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.496 11.040 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.884 11.940 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.006 10.513 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.081 12.286 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.889 11.526 -1.112 1.00 0.00 H new ATOM 488 N MET A 53 6.683 12.110 -4.691 1.00 0.00 N ATOM 489 CA MET A 53 5.867 12.229 -5.902 1.00 0.00 C ATOM 490 C MET A 53 5.220 13.611 -6.009 1.00 0.00 C ATOM 491 O MET A 53 5.281 14.214 -7.077 1.00 0.00 O ATOM 492 CB MET A 53 4.831 11.097 -5.979 1.00 0.00 C ATOM 493 CG MET A 53 5.492 9.714 -6.099 1.00 0.00 C ATOM 494 SD MET A 53 6.819 9.545 -7.331 1.00 0.00 S ATOM 495 CE MET A 53 5.905 9.839 -8.865 1.00 0.00 C ATOM 0 H MET A 53 6.327 11.444 -4.006 1.00 0.00 H new ATOM 0 HA MET A 53 6.526 12.125 -6.764 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.202 11.121 -5.089 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.178 11.262 -6.836 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.898 9.445 -5.124 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.716 8.985 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.488 10.489 -9.517 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.723 8.889 -9.368 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.952 10.316 -8.635 1.00 0.00 H new ATOM 505 N HIS A 54 4.703 14.169 -4.909 1.00 0.00 N ATOM 506 CA HIS A 54 4.198 15.552 -4.882 1.00 0.00 C ATOM 507 C HIS A 54 5.269 16.557 -5.333 1.00 0.00 C ATOM 508 O HIS A 54 5.036 17.328 -6.262 1.00 0.00 O ATOM 509 CB HIS A 54 3.675 15.895 -3.480 1.00 0.00 C ATOM 510 CG HIS A 54 3.255 17.339 -3.340 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.094 17.905 -3.874 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.969 18.312 -2.701 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.132 19.207 -3.537 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.245 19.477 -2.832 1.00 0.00 N ATOM 0 H HIS A 54 4.622 13.681 -4.017 1.00 0.00 H new ATOM 0 HA HIS A 54 3.373 15.625 -5.591 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.826 15.252 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.450 15.676 -2.746 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.915 18.192 -2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.375 19.933 -3.796 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.508 20.389 -2.458 1.00 0.00 H new ATOM 522 N TYR A 55 6.463 16.499 -4.736 1.00 0.00 N ATOM 523 CA TYR A 55 7.603 17.348 -5.091 1.00 0.00 C ATOM 524 C TYR A 55 8.081 17.156 -6.540 1.00 0.00 C ATOM 525 O TYR A 55 8.383 18.150 -7.194 1.00 0.00 O ATOM 526 CB TYR A 55 8.762 17.149 -4.102 1.00 0.00 C ATOM 527 CG TYR A 55 8.576 17.810 -2.745 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.393 19.206 -2.660 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.627 17.042 -1.565 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.217 19.826 -1.407 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.456 17.657 -0.309 1.00 0.00 C ATOM 532 CZ TYR A 55 8.241 19.049 -0.226 1.00 0.00 C ATOM 533 OH TYR A 55 8.079 19.637 0.993 1.00 0.00 O ATOM 0 H TYR A 55 6.668 15.848 -3.978 1.00 0.00 H new ATOM 0 HA TYR A 55 7.249 18.377 -5.022 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.909 16.080 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.675 17.536 -4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.388 19.803 -3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.798 15.977 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.064 20.894 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.490 17.062 0.592 1.00 0.00 H new ATOM 0 HH TYR A 55 8.122 18.954 1.694 1.00 0.00 H new ATOM 543 N LEU A 56 8.103 15.934 -7.087 1.00 0.00 N ATOM 544 CA LEU A 56 8.469 15.699 -8.493 1.00 0.00 C ATOM 545 C LEU A 56 7.409 16.260 -9.446 1.00 0.00 C ATOM 546 O LEU A 56 7.747 16.961 -10.398 1.00 0.00 O ATOM 547 CB LEU A 56 8.696 14.197 -8.770 1.00 0.00 C ATOM 548 CG LEU A 56 10.179 13.789 -8.780 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.841 13.936 -7.414 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.313 12.331 -9.217 1.00 0.00 C ATOM 0 H LEU A 56 7.870 15.084 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 56 9.406 16.226 -8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.173 13.613 -8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.251 13.942 -9.732 1.00 0.00 H new ATOM 0 HG LEU A 56 10.680 14.460 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.886 13.634 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.784 14.976 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.327 13.303 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.366 12.048 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.769 11.691 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.900 12.212 -10.219 1.00 0.00 H new ATOM 562 N GLY A 57 6.132 15.994 -9.176 1.00 0.00 N ATOM 563 CA GLY A 57 5.026 16.461 -10.007 1.00 0.00 C ATOM 564 C GLY A 57 4.937 17.983 -10.031 1.00 0.00 C ATOM 565 O GLY A 57 4.896 18.591 -11.103 1.00 0.00 O ATOM 0 H GLY A 57 5.835 15.445 -8.369 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.153 16.089 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.090 16.048 -9.631 1.00 0.00 H new ATOM 569 N GLN A 58 5.025 18.619 -8.858 1.00 0.00 N ATOM 570 CA GLN A 58 5.019 20.079 -8.767 1.00 0.00 C ATOM 571 C GLN A 58 6.294 20.693 -9.373 1.00 0.00 C ATOM 572 O GLN A 58 6.179 21.683 -10.087 1.00 0.00 O ATOM 573 CB GLN A 58 4.662 20.539 -7.339 1.00 0.00 C ATOM 574 CG GLN A 58 5.752 20.376 -6.276 1.00 0.00 C ATOM 575 CD GLN A 58 6.613 21.616 -6.046 1.00 0.00 C ATOM 576 OE1 GLN A 58 7.089 22.269 -6.962 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.873 21.978 -4.809 1.00 0.00 N ATOM 0 H GLN A 58 5.101 18.143 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 58 4.220 20.479 -9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.380 21.591 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.782 19.986 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.281 20.098 -5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.401 19.549 -6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.485 21.446 -4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.462 22.791 -4.629 1.00 0.00 H new ATOM 586 N TYR A 59 7.475 20.069 -9.236 1.00 0.00 N ATOM 587 CA TYR A 59 8.707 20.502 -9.919 1.00 0.00 C ATOM 588 C TYR A 59 8.557 20.465 -11.445 1.00 0.00 C ATOM 589 O TYR A 59 8.892 21.437 -12.119 1.00 0.00 O ATOM 590 CB TYR A 59 9.875 19.621 -9.456 1.00 0.00 C ATOM 591 CG TYR A 59 11.237 19.875 -10.082 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.562 19.286 -11.320 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.214 20.614 -9.384 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.850 19.447 -11.864 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.512 20.760 -9.912 1.00 0.00 C ATOM 596 CZ TYR A 59 13.833 20.179 -11.163 1.00 0.00 C ATOM 597 OH TYR A 59 15.086 20.296 -11.676 1.00 0.00 O ATOM 0 H TYR A 59 7.604 19.247 -8.646 1.00 0.00 H new ATOM 0 HA TYR A 59 8.908 21.539 -9.652 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.975 19.734 -8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.607 18.581 -9.644 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.821 18.709 -11.853 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.966 21.071 -8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.088 19.009 -12.822 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.260 21.314 -9.364 1.00 0.00 H new ATOM 0 HH TYR A 59 15.067 20.097 -12.635 1.00 0.00 H new ATOM 607 N ILE A 60 7.984 19.389 -11.996 1.00 0.00 N ATOM 608 CA ILE A 60 7.711 19.247 -13.434 1.00 0.00 C ATOM 609 C ILE A 60 6.754 20.356 -13.909 1.00 0.00 C ATOM 610 O ILE A 60 7.043 21.035 -14.901 1.00 0.00 O ATOM 611 CB ILE A 60 7.230 17.798 -13.721 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.421 16.817 -13.569 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.602 17.597 -15.113 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.006 15.344 -13.466 1.00 0.00 C ATOM 0 H ILE A 60 7.692 18.579 -11.449 1.00 0.00 H new ATOM 0 HA ILE A 60 8.617 19.388 -14.023 1.00 0.00 H new ATOM 0 HB ILE A 60 6.444 17.599 -12.993 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.089 16.937 -14.422 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.990 17.087 -12.679 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.295 16.557 -15.227 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.732 18.246 -15.217 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.334 17.846 -15.882 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.895 14.722 -13.362 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.363 15.207 -12.596 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.464 15.055 -14.366 1.00 0.00 H new ATOM 626 N MET A 61 5.678 20.631 -13.162 1.00 0.00 N ATOM 627 CA MET A 61 4.755 21.741 -13.453 1.00 0.00 C ATOM 628 C MET A 61 5.397 23.135 -13.300 1.00 0.00 C ATOM 629 O MET A 61 5.089 24.030 -14.087 1.00 0.00 O ATOM 630 CB MET A 61 3.504 21.642 -12.563 1.00 0.00 C ATOM 631 CG MET A 61 2.628 20.403 -12.804 1.00 0.00 C ATOM 632 SD MET A 61 1.877 20.251 -14.450 1.00 0.00 S ATOM 633 CE MET A 61 3.084 19.169 -15.264 1.00 0.00 C ATOM 0 H MET A 61 5.420 20.090 -12.336 1.00 0.00 H new ATOM 0 HA MET A 61 4.479 21.638 -14.503 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.818 21.648 -11.519 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.896 22.533 -12.718 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.234 19.516 -12.622 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.829 20.400 -12.063 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.708 18.877 -16.244 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.028 19.701 -15.381 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.242 18.278 -14.656 1.00 0.00 H new ATOM 643 N VAL A 62 6.310 23.335 -12.339 1.00 0.00 N ATOM 644 CA VAL A 62 6.969 24.617 -12.057 1.00 0.00 C ATOM 645 C VAL A 62 8.034 24.943 -13.102 1.00 0.00 C ATOM 646 O VAL A 62 8.088 26.066 -13.607 1.00 0.00 O ATOM 647 CB VAL A 62 7.549 24.564 -10.625 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.700 25.530 -10.363 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.458 24.849 -9.588 1.00 0.00 C ATOM 0 H VAL A 62 6.619 22.587 -11.718 1.00 0.00 H new ATOM 0 HA VAL A 62 6.241 25.426 -12.115 1.00 0.00 H new ATOM 0 HB VAL A 62 7.943 23.552 -10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.040 25.420 -9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.523 25.308 -11.043 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.361 26.553 -10.526 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.887 24.807 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.041 25.841 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.669 24.103 -9.676 1.00 0.00 H new ATOM 659 N LYS A 63 8.855 23.951 -13.459 1.00 0.00 N ATOM 660 CA LYS A 63 9.897 24.065 -14.487 1.00 0.00 C ATOM 661 C LYS A 63 9.343 23.888 -15.914 1.00 0.00 C ATOM 662 O LYS A 63 10.029 24.257 -16.866 1.00 0.00 O ATOM 663 CB LYS A 63 11.040 23.085 -14.153 1.00 0.00 C ATOM 664 CG LYS A 63 11.722 23.298 -12.785 1.00 0.00 C ATOM 665 CD LYS A 63 12.382 24.671 -12.578 1.00 0.00 C ATOM 666 CE LYS A 63 13.501 24.940 -13.597 1.00 0.00 C ATOM 667 NZ LYS A 63 14.186 26.236 -13.333 1.00 0.00 N ATOM 0 H LYS A 63 8.814 23.025 -13.033 1.00 0.00 H new ATOM 0 HA LYS A 63 10.299 25.078 -14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.646 22.069 -14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.798 23.160 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.978 23.151 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.481 22.527 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.625 25.451 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.791 24.727 -11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.229 24.130 -13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.083 24.948 -14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.934 26.383 -14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.496 27.012 -13.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.607 26.219 -12.382 1.00 0.00 H new ATOM 681 N GLN A 64 8.108 23.381 -16.068 1.00 0.00 N ATOM 682 CA GLN A 64 7.401 23.203 -17.351 1.00 0.00 C ATOM 683 C GLN A 64 8.031 22.111 -18.230 1.00 0.00 C ATOM 684 O GLN A 64 8.327 22.287 -19.412 1.00 0.00 O ATOM 685 CB GLN A 64 7.120 24.541 -18.062 1.00 0.00 C ATOM 686 CG GLN A 64 6.445 25.540 -17.110 1.00 0.00 C ATOM 687 CD GLN A 64 6.004 26.845 -17.778 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.208 27.100 -18.960 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.375 27.737 -17.039 1.00 0.00 N ATOM 0 H GLN A 64 7.551 23.071 -15.271 1.00 0.00 H new ATOM 0 HA GLN A 64 6.410 22.813 -17.121 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.054 24.962 -18.434 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.480 24.369 -18.928 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.574 25.064 -16.659 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.135 25.775 -16.300 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.194 27.547 -16.053 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.069 28.618 -17.453 1.00 0.00 H new ATOM 698 N LEU A 65 8.220 20.949 -17.600 1.00 0.00 N ATOM 699 CA LEU A 65 8.843 19.735 -18.131 1.00 0.00 C ATOM 700 C LEU A 65 7.796 18.797 -18.759 1.00 0.00 C ATOM 701 O LEU A 65 7.827 17.590 -18.552 1.00 0.00 O ATOM 702 CB LEU A 65 9.629 19.088 -16.971 1.00 0.00 C ATOM 703 CG LEU A 65 11.059 19.602 -16.722 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.303 21.079 -16.999 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.452 19.299 -15.275 1.00 0.00 C ATOM 0 H LEU A 65 7.919 20.823 -16.634 1.00 0.00 H new ATOM 0 HA LEU A 65 9.530 19.965 -18.945 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.055 19.226 -16.055 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.682 18.015 -17.155 1.00 0.00 H new ATOM 0 HG LEU A 65 11.676 19.073 -17.449 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.344 21.322 -16.787 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.086 21.294 -18.045 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.654 21.681 -16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.464 19.660 -15.090 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.759 19.798 -14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.414 18.223 -15.105 1.00 0.00 H new ATOM 717 N TYR A 66 6.813 19.335 -19.476 1.00 0.00 N ATOM 718 CA TYR A 66 5.716 18.554 -20.065 1.00 0.00 C ATOM 719 C TYR A 66 5.142 19.208 -21.343 1.00 0.00 C ATOM 720 O TYR A 66 5.475 20.352 -21.666 1.00 0.00 O ATOM 721 CB TYR A 66 4.613 18.379 -19.001 1.00 0.00 C ATOM 722 CG TYR A 66 3.839 19.646 -18.663 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.406 20.643 -17.842 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.534 19.818 -19.164 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.677 21.812 -17.537 1.00 0.00 C ATOM 726 CE2 TYR A 66 1.804 20.984 -18.868 1.00 0.00 C ATOM 727 CZ TYR A 66 2.373 21.986 -18.055 1.00 0.00 C ATOM 728 OH TYR A 66 1.657 23.112 -17.775 1.00 0.00 O ATOM 0 H TYR A 66 6.750 20.335 -19.669 1.00 0.00 H new ATOM 0 HA TYR A 66 6.108 17.584 -20.370 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.909 17.623 -19.350 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.067 17.994 -18.088 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.402 20.511 -17.445 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.090 19.050 -19.780 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.115 22.573 -16.908 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.807 21.112 -19.264 1.00 0.00 H new ATOM 0 HH TYR A 66 0.783 23.062 -18.215 1.00 0.00 H new ATOM 738 N ASP A 67 4.270 18.498 -22.070 1.00 0.00 N ATOM 739 CA ASP A 67 3.559 19.024 -23.250 1.00 0.00 C ATOM 740 C ASP A 67 2.157 19.559 -22.903 1.00 0.00 C ATOM 741 O ASP A 67 1.402 18.915 -22.173 1.00 0.00 O ATOM 742 CB ASP A 67 3.450 17.935 -24.320 1.00 0.00 C ATOM 743 CG ASP A 67 2.881 18.500 -25.629 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.638 18.560 -25.756 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.674 18.918 -26.506 1.00 0.00 O ATOM 0 H ASP A 67 4.033 17.529 -21.855 1.00 0.00 H new ATOM 0 HA ASP A 67 4.141 19.864 -23.630 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.433 17.502 -24.504 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.810 17.130 -23.960 1.00 0.00 H new ATOM 750 N GLN A 68 1.766 20.712 -23.459 1.00 0.00 N ATOM 751 CA GLN A 68 0.497 21.365 -23.128 1.00 0.00 C ATOM 752 C GLN A 68 -0.776 20.652 -23.624 1.00 0.00 C ATOM 753 O GLN A 68 -1.859 20.922 -23.099 1.00 0.00 O ATOM 754 CB GLN A 68 0.553 22.830 -23.592 1.00 0.00 C ATOM 755 CG GLN A 68 0.511 23.003 -25.122 1.00 0.00 C ATOM 756 CD GLN A 68 0.538 24.476 -25.525 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.582 25.061 -25.792 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.599 25.142 -25.574 1.00 0.00 N ATOM 0 H GLN A 68 2.321 21.217 -24.150 1.00 0.00 H new ATOM 0 HA GLN A 68 0.399 21.308 -22.044 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.284 23.372 -23.152 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.466 23.287 -23.210 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.361 22.488 -25.570 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.390 22.534 -25.517 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.476 24.670 -25.355 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.601 26.129 -25.831 1.00 0.00 H new ATOM 767 N GLN A 69 -0.668 19.743 -24.598 1.00 0.00 N ATOM 768 CA GLN A 69 -1.766 18.905 -25.092 1.00 0.00 C ATOM 769 C GLN A 69 -1.616 17.444 -24.630 1.00 0.00 C ATOM 770 O GLN A 69 -2.618 16.800 -24.315 1.00 0.00 O ATOM 771 CB GLN A 69 -1.833 19.033 -26.625 1.00 0.00 C ATOM 772 CG GLN A 69 -2.939 18.204 -27.303 1.00 0.00 C ATOM 773 CD GLN A 69 -4.353 18.572 -26.850 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.033 19.399 -27.447 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.853 17.984 -25.783 1.00 0.00 N ATOM 0 H GLN A 69 0.213 19.564 -25.080 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.710 19.251 -24.670 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.979 20.083 -26.880 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.871 18.735 -27.041 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.868 18.335 -28.383 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.765 17.148 -27.098 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.300 17.294 -25.275 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.793 18.219 -25.465 1.00 0.00 H new ATOM 784 N GLU A 70 -0.385 16.940 -24.515 1.00 0.00 N ATOM 785 CA GLU A 70 -0.075 15.609 -23.972 1.00 0.00 C ATOM 786 C GLU A 70 0.342 15.757 -22.500 1.00 0.00 C ATOM 787 O GLU A 70 1.469 15.455 -22.115 1.00 0.00 O ATOM 788 CB GLU A 70 0.959 14.870 -24.849 1.00 0.00 C ATOM 789 CG GLU A 70 0.513 14.623 -26.298 1.00 0.00 C ATOM 790 CD GLU A 70 -0.638 13.603 -26.390 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.371 12.377 -26.348 1.00 0.00 O ATOM 792 OE2 GLU A 70 -1.817 14.012 -26.521 1.00 0.00 O ATOM 0 H GLU A 70 0.446 17.456 -24.803 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.961 14.975 -23.997 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.883 15.447 -24.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.189 13.911 -24.385 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.196 15.566 -26.744 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.361 14.264 -26.881 1.00 0.00 H new ATOM 799 N GLN A 71 -0.570 16.271 -21.664 1.00 0.00 N ATOM 800 CA GLN A 71 -0.263 16.682 -20.283 1.00 0.00 C ATOM 801 C GLN A 71 0.146 15.512 -19.369 1.00 0.00 C ATOM 802 O GLN A 71 0.870 15.713 -18.394 1.00 0.00 O ATOM 803 CB GLN A 71 -1.452 17.461 -19.695 1.00 0.00 C ATOM 804 CG GLN A 71 -1.727 18.762 -20.474 1.00 0.00 C ATOM 805 CD GLN A 71 -2.874 19.604 -19.909 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.437 19.353 -18.849 1.00 0.00 O ATOM 807 NE2 GLN A 71 -3.268 20.650 -20.606 1.00 0.00 N ATOM 0 H GLN A 71 -1.545 16.415 -21.925 1.00 0.00 H new ATOM 0 HA GLN A 71 0.611 17.332 -20.330 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.342 16.832 -19.712 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.250 17.699 -18.651 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.819 19.365 -20.483 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.953 18.510 -21.510 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.812 20.875 -21.490 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.029 21.235 -20.262 1.00 0.00 H new ATOM 816 N HIS A 72 -0.249 14.284 -19.723 1.00 0.00 N ATOM 817 CA HIS A 72 0.184 13.027 -19.099 1.00 0.00 C ATOM 818 C HIS A 72 1.615 12.602 -19.481 1.00 0.00 C ATOM 819 O HIS A 72 2.125 11.630 -18.924 1.00 0.00 O ATOM 820 CB HIS A 72 -0.814 11.932 -19.507 1.00 0.00 C ATOM 821 CG HIS A 72 -0.891 11.736 -21.005 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.642 12.524 -21.884 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.191 10.812 -21.725 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.393 12.039 -23.113 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.521 11.018 -23.047 1.00 0.00 N ATOM 0 H HIS A 72 -0.908 14.132 -20.486 1.00 0.00 H new ATOM 0 HA HIS A 72 0.202 13.179 -18.020 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.527 10.992 -19.037 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.803 12.189 -19.128 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.487 10.067 -21.336 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.832 12.416 -24.025 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.164 10.486 -23.841 1.00 0.00 H new ATOM 833 N MET A 73 2.254 13.289 -20.432 1.00 0.00 N ATOM 834 CA MET A 73 3.585 12.994 -20.965 1.00 0.00 C ATOM 835 C MET A 73 4.613 14.035 -20.489 1.00 0.00 C ATOM 836 O MET A 73 4.401 15.246 -20.596 1.00 0.00 O ATOM 837 CB MET A 73 3.509 12.924 -22.500 1.00 0.00 C ATOM 838 CG MET A 73 4.775 12.372 -23.121 1.00 0.00 C ATOM 839 SD MET A 73 5.027 10.617 -22.796 1.00 0.00 S ATOM 840 CE MET A 73 6.744 10.642 -23.300 1.00 0.00 C ATOM 0 H MET A 73 1.835 14.108 -20.873 1.00 0.00 H new ATOM 0 HA MET A 73 3.922 12.028 -20.589 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.664 12.299 -22.790 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.319 13.921 -22.897 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.742 12.533 -24.199 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.630 12.931 -22.741 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.948 9.783 -23.939 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.948 11.560 -23.851 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.383 10.598 -22.418 1.00 0.00 H new ATOM 850 N VAL A 74 5.745 13.557 -19.973 1.00 0.00 N ATOM 851 CA VAL A 74 6.823 14.364 -19.391 1.00 0.00 C ATOM 852 C VAL A 74 7.961 14.511 -20.403 1.00 0.00 C ATOM 853 O VAL A 74 8.309 13.567 -21.111 1.00 0.00 O ATOM 854 CB VAL A 74 7.285 13.755 -18.050 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.451 14.516 -17.418 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.132 13.769 -17.037 1.00 0.00 C ATOM 0 H VAL A 74 5.946 12.557 -19.947 1.00 0.00 H new ATOM 0 HA VAL A 74 6.459 15.367 -19.167 1.00 0.00 H new ATOM 0 HB VAL A 74 7.609 12.740 -18.280 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.730 14.039 -16.478 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.303 14.505 -18.097 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.152 15.547 -17.227 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.470 13.337 -16.095 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.807 14.796 -16.869 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.299 13.184 -17.426 1.00 0.00 H new ATOM 866 N TYR A 75 8.536 15.711 -20.448 1.00 0.00 N ATOM 867 CA TYR A 75 9.562 16.182 -21.376 1.00 0.00 C ATOM 868 C TYR A 75 10.635 16.984 -20.622 1.00 0.00 C ATOM 869 O TYR A 75 10.764 18.204 -20.724 1.00 0.00 O ATOM 870 CB TYR A 75 8.900 16.956 -22.523 1.00 0.00 C ATOM 871 CG TYR A 75 8.244 16.019 -23.513 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.052 15.101 -24.210 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.849 16.013 -23.696 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.471 14.175 -25.090 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.264 15.100 -24.595 1.00 0.00 C ATOM 876 CZ TYR A 75 7.073 14.178 -25.297 1.00 0.00 C ATOM 877 OH TYR A 75 6.499 13.297 -26.164 1.00 0.00 O ATOM 0 H TYR A 75 8.275 16.438 -19.782 1.00 0.00 H new ATOM 0 HA TYR A 75 10.084 15.339 -21.828 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.155 17.641 -22.119 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.648 17.563 -23.034 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.122 15.109 -24.067 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.228 16.707 -23.148 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.092 13.460 -25.609 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.195 15.105 -24.748 1.00 0.00 H new ATOM 0 HH TYR A 75 5.530 13.440 -26.181 1.00 0.00 H new ATOM 887 N CYS A 76 11.426 16.235 -19.862 1.00 0.00 N ATOM 888 CA CYS A 76 12.646 16.648 -19.146 1.00 0.00 C ATOM 889 C CYS A 76 13.911 16.690 -20.037 1.00 0.00 C ATOM 890 O CYS A 76 15.011 16.424 -19.551 1.00 0.00 O ATOM 891 CB CYS A 76 12.848 15.724 -17.929 1.00 0.00 C ATOM 892 SG CYS A 76 11.468 15.858 -16.767 1.00 0.00 S ATOM 0 H CYS A 76 11.223 15.246 -19.714 1.00 0.00 H new ATOM 0 HA CYS A 76 12.501 17.677 -18.818 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.944 14.692 -18.265 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.778 15.983 -17.424 1.00 0.00 H new ATOM 0 HG CYS A 76 11.440 14.806 -16.003 1.00 0.00 H new ATOM 898 N GLY A 77 13.767 17.019 -21.329 1.00 0.00 N ATOM 899 CA GLY A 77 14.785 16.917 -22.395 1.00 0.00 C ATOM 900 C GLY A 77 16.194 17.447 -22.084 1.00 0.00 C ATOM 901 O GLY A 77 17.172 16.922 -22.622 1.00 0.00 O ATOM 0 H GLY A 77 12.884 17.386 -21.683 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.875 15.867 -22.675 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.411 17.449 -23.269 1.00 0.00 H new ATOM 905 N GLY A 78 16.311 18.446 -21.202 1.00 0.00 N ATOM 906 CA GLY A 78 17.585 18.984 -20.708 1.00 0.00 C ATOM 907 C GLY A 78 17.637 19.220 -19.192 1.00 0.00 C ATOM 908 O GLY A 78 18.475 20.004 -18.740 1.00 0.00 O ATOM 0 H GLY A 78 15.500 18.916 -20.801 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.385 18.296 -20.983 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.787 19.927 -21.216 1.00 0.00 H new ATOM 912 N ASP A 79 16.749 18.603 -18.398 1.00 0.00 N ATOM 913 CA ASP A 79 16.687 18.842 -16.944 1.00 0.00 C ATOM 914 C ASP A 79 17.518 17.841 -16.132 1.00 0.00 C ATOM 915 O ASP A 79 17.527 16.645 -16.433 1.00 0.00 O ATOM 916 CB ASP A 79 15.243 18.859 -16.428 1.00 0.00 C ATOM 917 CG ASP A 79 15.188 19.647 -15.109 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.032 20.889 -15.159 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.361 19.029 -14.033 1.00 0.00 O ATOM 0 H ASP A 79 16.060 17.932 -18.738 1.00 0.00 H new ATOM 0 HA ASP A 79 17.126 19.829 -16.797 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.585 19.317 -17.167 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.888 17.840 -16.272 1.00 0.00 H new ATOM 924 N LEU A 80 18.141 18.310 -15.044 1.00 0.00 N ATOM 925 CA LEU A 80 18.883 17.467 -14.100 1.00 0.00 C ATOM 926 C LEU A 80 18.023 16.318 -13.550 1.00 0.00 C ATOM 927 O LEU A 80 18.539 15.217 -13.394 1.00 0.00 O ATOM 928 CB LEU A 80 19.434 18.325 -12.940 1.00 0.00 C ATOM 929 CG LEU A 80 20.769 19.060 -13.185 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.929 18.087 -13.408 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.722 20.042 -14.356 1.00 0.00 C ATOM 0 H LEU A 80 18.144 19.298 -14.792 1.00 0.00 H new ATOM 0 HA LEU A 80 19.713 17.019 -14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.680 19.069 -12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.557 17.680 -12.070 1.00 0.00 H new ATOM 0 HG LEU A 80 20.936 19.630 -12.271 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.848 18.649 -13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 80 22.047 17.454 -12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.720 17.465 -14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.695 20.521 -14.468 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.474 19.505 -15.272 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.964 20.801 -14.164 1.00 0.00 H new ATOM 943 N LEU A 81 16.721 16.523 -13.322 1.00 0.00 N ATOM 944 CA LEU A 81 15.795 15.464 -12.899 1.00 0.00 C ATOM 945 C LEU A 81 15.747 14.318 -13.927 1.00 0.00 C ATOM 946 O LEU A 81 15.980 13.163 -13.581 1.00 0.00 O ATOM 947 CB LEU A 81 14.432 16.136 -12.635 1.00 0.00 C ATOM 948 CG LEU A 81 13.233 15.271 -12.206 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.420 14.754 -13.390 1.00 0.00 C ATOM 950 CD2 LEU A 81 13.578 14.107 -11.274 1.00 0.00 C ATOM 0 H LEU A 81 16.276 17.435 -13.426 1.00 0.00 H new ATOM 0 HA LEU A 81 16.128 14.981 -11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.584 16.891 -11.863 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.146 16.664 -13.545 1.00 0.00 H new ATOM 0 HG LEU A 81 12.623 15.966 -11.630 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.589 14.151 -13.025 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.033 15.598 -13.962 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.057 14.144 -14.030 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.670 13.557 -11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.283 13.440 -11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.027 14.494 -10.359 1.00 0.00 H new ATOM 962 N GLY A 82 15.517 14.638 -15.202 1.00 0.00 N ATOM 963 CA GLY A 82 15.530 13.658 -16.305 1.00 0.00 C ATOM 964 C GLY A 82 16.885 12.961 -16.504 1.00 0.00 C ATOM 965 O GLY A 82 16.950 11.745 -16.709 1.00 0.00 O ATOM 0 H GLY A 82 15.314 15.590 -15.507 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.768 12.902 -16.115 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.253 14.164 -17.230 1.00 0.00 H new ATOM 969 N GLU A 83 17.983 13.710 -16.417 1.00 0.00 N ATOM 970 CA GLU A 83 19.359 13.187 -16.520 1.00 0.00 C ATOM 971 C GLU A 83 19.667 12.181 -15.404 1.00 0.00 C ATOM 972 O GLU A 83 20.166 11.084 -15.658 1.00 0.00 O ATOM 973 CB GLU A 83 20.368 14.335 -16.386 1.00 0.00 C ATOM 974 CG GLU A 83 20.304 15.370 -17.506 1.00 0.00 C ATOM 975 CD GLU A 83 21.265 15.024 -18.659 1.00 0.00 C ATOM 976 OE1 GLU A 83 20.948 14.119 -19.468 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.348 15.652 -18.765 1.00 0.00 O ATOM 0 H GLU A 83 17.948 14.719 -16.270 1.00 0.00 H new ATOM 0 HA GLU A 83 19.440 12.697 -17.490 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.202 14.838 -15.434 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.374 13.916 -16.353 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.285 15.430 -17.888 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.554 16.353 -17.107 1.00 0.00 H new ATOM 984 N LEU A 84 19.344 12.564 -14.166 1.00 0.00 N ATOM 985 CA LEU A 84 19.599 11.771 -12.962 1.00 0.00 C ATOM 986 C LEU A 84 18.676 10.550 -12.833 1.00 0.00 C ATOM 987 O LEU A 84 19.125 9.501 -12.364 1.00 0.00 O ATOM 988 CB LEU A 84 19.474 12.686 -11.737 1.00 0.00 C ATOM 989 CG LEU A 84 20.623 13.703 -11.582 1.00 0.00 C ATOM 990 CD1 LEU A 84 20.243 14.719 -10.509 1.00 0.00 C ATOM 991 CD2 LEU A 84 21.950 13.013 -11.254 1.00 0.00 C ATOM 0 H LEU A 84 18.887 13.455 -13.969 1.00 0.00 H new ATOM 0 HA LEU A 84 20.609 11.366 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.531 13.229 -11.799 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.428 12.068 -10.840 1.00 0.00 H new ATOM 0 HG LEU A 84 20.771 14.219 -12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.049 15.443 -10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.331 15.237 -10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.077 14.204 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 84 22.735 13.763 -11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.852 12.462 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 84 22.209 12.323 -12.057 1.00 0.00 H new ATOM 1003 N LEU A 85 17.417 10.646 -13.284 1.00 0.00 N ATOM 1004 CA LEU A 85 16.523 9.483 -13.381 1.00 0.00 C ATOM 1005 C LEU A 85 16.942 8.546 -14.525 1.00 0.00 C ATOM 1006 O LEU A 85 16.766 7.331 -14.424 1.00 0.00 O ATOM 1007 CB LEU A 85 15.051 9.946 -13.419 1.00 0.00 C ATOM 1008 CG LEU A 85 14.317 10.060 -14.766 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.697 8.730 -15.210 1.00 0.00 C ATOM 1010 CD2 LEU A 85 13.149 11.036 -14.633 1.00 0.00 C ATOM 0 H LEU A 85 16.993 11.522 -13.589 1.00 0.00 H new ATOM 0 HA LEU A 85 16.616 8.869 -12.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.479 9.260 -12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.006 10.925 -12.941 1.00 0.00 H new ATOM 0 HG LEU A 85 15.062 10.386 -15.491 1.00 0.00 H new ATOM 0 HD11 LEU A 85 13.191 8.866 -16.166 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.481 7.981 -15.318 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.977 8.397 -14.463 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.630 11.115 -15.588 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.457 10.673 -13.873 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.526 12.017 -14.342 1.00 0.00 H new ATOM 1022 N GLY A 86 17.535 9.103 -15.589 1.00 0.00 N ATOM 1023 CA GLY A 86 18.116 8.351 -16.707 1.00 0.00 C ATOM 1024 C GLY A 86 17.194 8.236 -17.923 1.00 0.00 C ATOM 1025 O GLY A 86 17.608 7.694 -18.948 1.00 0.00 O ATOM 0 H GLY A 86 17.626 10.113 -15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.045 8.833 -17.012 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.374 7.349 -16.363 1.00 0.00 H new ATOM 1029 N ARG A 87 15.972 8.784 -17.835 1.00 0.00 N ATOM 1030 CA ARG A 87 15.034 8.960 -18.959 1.00 0.00 C ATOM 1031 C ARG A 87 14.558 10.410 -18.976 1.00 0.00 C ATOM 1032 O ARG A 87 13.996 10.893 -17.998 1.00 0.00 O ATOM 1033 CB ARG A 87 13.851 7.966 -18.847 1.00 0.00 C ATOM 1034 CG ARG A 87 13.771 6.948 -19.997 1.00 0.00 C ATOM 1035 CD ARG A 87 14.921 5.934 -19.969 1.00 0.00 C ATOM 1036 NE ARG A 87 14.690 4.827 -20.918 1.00 0.00 N ATOM 1037 CZ ARG A 87 15.483 3.788 -21.122 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.616 3.647 -20.493 1.00 0.00 N ATOM 1039 NH2 ARG A 87 15.147 2.860 -21.972 1.00 0.00 N ATOM 0 H ARG A 87 15.596 9.129 -16.952 1.00 0.00 H new ATOM 0 HA ARG A 87 15.537 8.744 -19.902 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.933 7.426 -17.904 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.919 8.530 -18.811 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.821 6.416 -19.941 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.783 7.479 -20.949 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.856 6.436 -20.215 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.030 5.534 -18.961 1.00 0.00 H new ATOM 0 HE ARG A 87 13.834 4.867 -21.471 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.916 4.351 -19.819 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.203 2.833 -20.675 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.268 2.932 -22.485 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.763 2.061 -22.125 1.00 0.00 H new ATOM 1053 N GLN A 88 14.771 11.104 -20.092 1.00 0.00 N ATOM 1054 CA GLN A 88 14.362 12.506 -20.258 1.00 0.00 C ATOM 1055 C GLN A 88 12.897 12.642 -20.720 1.00 0.00 C ATOM 1056 O GLN A 88 12.372 13.751 -20.782 1.00 0.00 O ATOM 1057 CB GLN A 88 15.363 13.242 -21.163 1.00 0.00 C ATOM 1058 CG GLN A 88 16.766 13.412 -20.543 1.00 0.00 C ATOM 1059 CD GLN A 88 17.637 12.156 -20.633 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.104 11.774 -21.698 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.870 11.436 -19.552 1.00 0.00 N ATOM 0 H GLN A 88 15.234 10.713 -20.912 1.00 0.00 H new ATOM 0 HA GLN A 88 14.388 12.992 -19.283 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.456 12.697 -22.102 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.962 14.227 -21.404 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.277 14.234 -21.044 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.659 13.694 -19.496 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.493 11.731 -18.651 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.427 10.584 -19.617 1.00 0.00 H new ATOM 1070 N SER A 89 12.209 11.529 -20.985 1.00 0.00 N ATOM 1071 CA SER A 89 10.762 11.478 -21.228 1.00 0.00 C ATOM 1072 C SER A 89 10.155 10.150 -20.747 1.00 0.00 C ATOM 1073 O SER A 89 10.765 9.082 -20.855 1.00 0.00 O ATOM 1074 CB SER A 89 10.458 11.739 -22.711 1.00 0.00 C ATOM 1075 OG SER A 89 11.064 10.768 -23.555 1.00 0.00 O ATOM 0 H SER A 89 12.653 10.612 -21.038 1.00 0.00 H new ATOM 0 HA SER A 89 10.291 12.269 -20.644 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.379 11.733 -22.867 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.814 12.732 -22.985 1.00 0.00 H new ATOM 0 HG SER A 89 10.847 10.966 -24.490 1.00 0.00 H new ATOM 1081 N PHE A 90 8.958 10.239 -20.166 1.00 0.00 N ATOM 1082 CA PHE A 90 8.131 9.138 -19.647 1.00 0.00 C ATOM 1083 C PHE A 90 6.680 9.638 -19.516 1.00 0.00 C ATOM 1084 O PHE A 90 6.421 10.826 -19.720 1.00 0.00 O ATOM 1085 CB PHE A 90 8.680 8.643 -18.290 1.00 0.00 C ATOM 1086 CG PHE A 90 8.671 9.679 -17.177 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.776 10.536 -16.991 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.545 9.803 -16.339 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.740 11.524 -15.991 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.511 10.795 -15.344 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.606 11.659 -15.172 1.00 0.00 C ATOM 0 H PHE A 90 8.505 11.143 -20.034 1.00 0.00 H new ATOM 0 HA PHE A 90 8.159 8.292 -20.334 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.093 7.782 -17.970 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.703 8.295 -18.434 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.650 10.433 -17.617 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.706 9.134 -16.462 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.586 12.181 -15.852 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.642 10.894 -14.710 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.576 12.425 -14.412 1.00 0.00 H new ATOM 1101 N SER A 91 5.723 8.774 -19.170 1.00 0.00 N ATOM 1102 CA SER A 91 4.316 9.166 -19.011 1.00 0.00 C ATOM 1103 C SER A 91 3.679 8.636 -17.728 1.00 0.00 C ATOM 1104 O SER A 91 4.152 7.682 -17.113 1.00 0.00 O ATOM 1105 CB SER A 91 3.528 8.790 -20.274 1.00 0.00 C ATOM 1106 OG SER A 91 2.557 7.789 -20.037 1.00 0.00 O ATOM 0 H SER A 91 5.898 7.785 -18.992 1.00 0.00 H new ATOM 0 HA SER A 91 4.281 10.249 -18.896 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.037 9.680 -20.669 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.222 8.443 -21.040 1.00 0.00 H new ATOM 0 HG SER A 91 2.084 7.588 -20.871 1.00 0.00 H new ATOM 1112 N VAL A 92 2.562 9.251 -17.341 1.00 0.00 N ATOM 1113 CA VAL A 92 1.728 8.842 -16.203 1.00 0.00 C ATOM 1114 C VAL A 92 1.126 7.438 -16.407 1.00 0.00 C ATOM 1115 O VAL A 92 0.940 6.707 -15.432 1.00 0.00 O ATOM 1116 CB VAL A 92 0.646 9.918 -15.987 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.386 9.524 -14.934 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.286 11.242 -15.541 1.00 0.00 C ATOM 0 H VAL A 92 2.198 10.073 -17.823 1.00 0.00 H new ATOM 0 HA VAL A 92 2.342 8.765 -15.306 1.00 0.00 H new ATOM 0 HB VAL A 92 0.141 10.026 -16.947 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.121 10.322 -14.828 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.889 8.607 -15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.113 9.361 -13.979 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.508 11.991 -15.393 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.825 11.089 -14.606 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.980 11.587 -16.307 1.00 0.00 H new ATOM 1128 N LYS A 93 0.874 7.028 -17.663 1.00 0.00 N ATOM 1129 CA LYS A 93 0.466 5.656 -18.040 1.00 0.00 C ATOM 1130 C LYS A 93 1.628 4.743 -18.476 1.00 0.00 C ATOM 1131 O LYS A 93 1.413 3.558 -18.730 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.711 5.690 -19.035 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.359 6.287 -20.408 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.550 6.306 -21.384 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.137 4.927 -21.735 1.00 0.00 C ATOM 1136 NZ LYS A 93 -1.191 4.076 -22.511 1.00 0.00 N ATOM 0 H LYS A 93 0.949 7.653 -18.465 1.00 0.00 H new ATOM 0 HA LYS A 93 0.106 5.175 -17.130 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.081 4.675 -19.177 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.525 6.268 -18.598 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.007 7.305 -20.272 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.455 5.712 -20.849 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.341 6.920 -20.954 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.234 6.793 -22.306 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.413 4.410 -20.816 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.052 5.063 -22.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.638 3.161 -22.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.946 4.553 -23.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.327 3.920 -21.954 1.00 0.00 H new ATOM 1150 N ASP A 94 2.853 5.273 -18.526 1.00 0.00 N ATOM 1151 CA ASP A 94 4.104 4.551 -18.800 1.00 0.00 C ATOM 1152 C ASP A 94 5.236 4.914 -17.796 1.00 0.00 C ATOM 1153 O ASP A 94 6.297 5.401 -18.204 1.00 0.00 O ATOM 1154 CB ASP A 94 4.487 4.801 -20.271 1.00 0.00 C ATOM 1155 CG ASP A 94 5.679 3.948 -20.742 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.759 2.750 -20.376 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.516 4.455 -21.529 1.00 0.00 O ATOM 0 H ASP A 94 3.010 6.269 -18.369 1.00 0.00 H new ATOM 0 HA ASP A 94 3.953 3.482 -18.651 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.625 4.591 -20.905 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.729 5.856 -20.402 1.00 0.00 H new ATOM 1162 N PRO A 95 5.043 4.703 -16.472 1.00 0.00 N ATOM 1163 CA PRO A 95 6.000 5.072 -15.419 1.00 0.00 C ATOM 1164 C PRO A 95 7.116 4.028 -15.199 1.00 0.00 C ATOM 1165 O PRO A 95 7.744 3.996 -14.139 1.00 0.00 O ATOM 1166 CB PRO A 95 5.130 5.275 -14.173 1.00 0.00 C ATOM 1167 CG PRO A 95 4.081 4.179 -14.343 1.00 0.00 C ATOM 1168 CD PRO A 95 3.820 4.208 -15.847 1.00 0.00 C ATOM 0 HA PRO A 95 6.559 5.968 -15.688 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.701 5.156 -13.252 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.682 6.268 -14.144 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.450 3.208 -14.013 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.178 4.388 -13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.571 3.213 -16.216 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.975 4.856 -16.081 1.00 0.00 H new ATOM 1176 N SER A 96 7.385 3.157 -16.173 1.00 0.00 N ATOM 1177 CA SER A 96 8.350 2.050 -16.050 1.00 0.00 C ATOM 1178 C SER A 96 9.776 2.493 -15.662 1.00 0.00 C ATOM 1179 O SER A 96 10.321 1.919 -14.714 1.00 0.00 O ATOM 1180 CB SER A 96 8.371 1.207 -17.332 1.00 0.00 C ATOM 1181 OG SER A 96 7.080 0.664 -17.576 1.00 0.00 O ATOM 0 H SER A 96 6.934 3.197 -17.087 1.00 0.00 H new ATOM 0 HA SER A 96 7.997 1.441 -15.218 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.682 1.822 -18.177 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.101 0.403 -17.237 1.00 0.00 H new ATOM 0 HG SER A 96 7.100 0.129 -18.397 1.00 0.00 H new ATOM 1187 N PRO A 97 10.387 3.531 -16.283 1.00 0.00 N ATOM 1188 CA PRO A 97 11.688 4.044 -15.839 1.00 0.00 C ATOM 1189 C PRO A 97 11.605 4.828 -14.516 1.00 0.00 C ATOM 1190 O PRO A 97 12.601 4.934 -13.807 1.00 0.00 O ATOM 1191 CB PRO A 97 12.185 4.930 -16.986 1.00 0.00 C ATOM 1192 CG PRO A 97 10.890 5.456 -17.602 1.00 0.00 C ATOM 1193 CD PRO A 97 9.956 4.255 -17.479 1.00 0.00 C ATOM 0 HA PRO A 97 12.373 3.224 -15.625 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.818 5.740 -16.624 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.774 4.363 -17.707 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.508 6.324 -17.065 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.028 5.759 -18.640 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.918 4.575 -17.389 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.018 3.620 -18.363 1.00 0.00 H new ATOM 1201 N LEU A 98 10.430 5.358 -14.155 1.00 0.00 N ATOM 1202 CA LEU A 98 10.221 6.172 -12.952 1.00 0.00 C ATOM 1203 C LEU A 98 10.251 5.307 -11.681 1.00 0.00 C ATOM 1204 O LEU A 98 11.011 5.591 -10.755 1.00 0.00 O ATOM 1205 CB LEU A 98 8.897 6.940 -13.131 1.00 0.00 C ATOM 1206 CG LEU A 98 8.555 7.959 -12.033 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.524 9.141 -12.029 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.140 8.472 -12.302 1.00 0.00 C ATOM 0 H LEU A 98 9.580 5.230 -14.703 1.00 0.00 H new ATOM 0 HA LEU A 98 11.031 6.891 -12.825 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.930 7.463 -14.087 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.085 6.215 -13.192 1.00 0.00 H new ATOM 0 HG LEU A 98 8.630 7.471 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.246 9.837 -11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.538 8.780 -11.855 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.481 9.650 -12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.865 9.200 -11.538 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.105 8.945 -13.283 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.439 7.637 -12.277 1.00 0.00 H new ATOM 1220 N TYR A 99 9.511 4.195 -11.654 1.00 0.00 N ATOM 1221 CA TYR A 99 9.606 3.232 -10.548 1.00 0.00 C ATOM 1222 C TYR A 99 11.003 2.611 -10.440 1.00 0.00 C ATOM 1223 O TYR A 99 11.510 2.432 -9.333 1.00 0.00 O ATOM 1224 CB TYR A 99 8.540 2.143 -10.696 1.00 0.00 C ATOM 1225 CG TYR A 99 7.157 2.610 -10.276 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.885 2.835 -8.911 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.156 2.846 -11.238 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.620 3.302 -8.508 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.886 3.307 -10.837 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.615 3.541 -9.470 1.00 0.00 C ATOM 1231 OH TYR A 99 3.392 3.992 -9.072 1.00 0.00 O ATOM 0 H TYR A 99 8.842 3.938 -12.380 1.00 0.00 H new ATOM 0 HA TYR A 99 9.427 3.780 -9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.507 1.813 -11.734 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.824 1.279 -10.095 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.650 2.648 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.362 2.674 -12.284 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.418 3.478 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.118 3.482 -11.576 1.00 0.00 H new ATOM 0 HH TYR A 99 2.815 4.107 -9.856 1.00 0.00 H new ATOM 1241 N ASP A 100 11.658 2.348 -11.574 1.00 0.00 N ATOM 1242 CA ASP A 100 13.024 1.821 -11.596 1.00 0.00 C ATOM 1243 C ASP A 100 14.038 2.818 -11.014 1.00 0.00 C ATOM 1244 O ASP A 100 14.906 2.430 -10.230 1.00 0.00 O ATOM 1245 CB ASP A 100 13.390 1.447 -13.036 1.00 0.00 C ATOM 1246 CG ASP A 100 14.679 0.613 -13.115 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.717 -0.505 -12.547 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.656 1.065 -13.759 1.00 0.00 O ATOM 0 H ASP A 100 11.257 2.494 -12.500 1.00 0.00 H new ATOM 0 HA ASP A 100 13.063 0.935 -10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.569 0.886 -13.483 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.512 2.356 -13.625 1.00 0.00 H new ATOM 1253 N MET A 101 13.894 4.112 -11.332 1.00 0.00 N ATOM 1254 CA MET A 101 14.705 5.180 -10.727 1.00 0.00 C ATOM 1255 C MET A 101 14.478 5.251 -9.213 1.00 0.00 C ATOM 1256 O MET A 101 15.444 5.257 -8.455 1.00 0.00 O ATOM 1257 CB MET A 101 14.517 6.541 -11.441 1.00 0.00 C ATOM 1258 CG MET A 101 13.599 7.573 -10.769 1.00 0.00 C ATOM 1259 SD MET A 101 14.385 8.576 -9.483 1.00 0.00 S ATOM 1260 CE MET A 101 13.027 9.747 -9.258 1.00 0.00 C ATOM 0 H MET A 101 13.214 4.448 -12.014 1.00 0.00 H new ATOM 0 HA MET A 101 15.754 4.925 -10.875 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.500 6.995 -11.564 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.129 6.346 -12.441 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.203 8.239 -11.536 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.749 7.050 -10.331 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.252 10.409 -8.422 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.902 10.338 -10.165 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.106 9.201 -9.051 1.00 0.00 H new ATOM 1270 N LEU A 102 13.224 5.231 -8.748 1.00 0.00 N ATOM 1271 CA LEU A 102 12.899 5.343 -7.325 1.00 0.00 C ATOM 1272 C LEU A 102 13.548 4.186 -6.557 1.00 0.00 C ATOM 1273 O LEU A 102 14.361 4.432 -5.668 1.00 0.00 O ATOM 1274 CB LEU A 102 11.367 5.397 -7.137 1.00 0.00 C ATOM 1275 CG LEU A 102 10.703 6.704 -7.619 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.188 6.524 -7.687 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.995 7.887 -6.692 1.00 0.00 C ATOM 0 H LEU A 102 12.406 5.137 -9.350 1.00 0.00 H new ATOM 0 HA LEU A 102 13.303 6.270 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.919 4.559 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.139 5.258 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 102 11.121 6.920 -8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.726 7.451 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.948 5.721 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.807 6.271 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.504 8.781 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.618 7.668 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.071 8.055 -6.645 1.00 0.00 H new ATOM 1289 N ARG A 103 13.315 2.943 -7.000 1.00 0.00 N ATOM 1290 CA ARG A 103 13.847 1.710 -6.387 1.00 0.00 C ATOM 1291 C ARG A 103 15.381 1.605 -6.363 1.00 0.00 C ATOM 1292 O ARG A 103 15.898 0.816 -5.569 1.00 0.00 O ATOM 1293 CB ARG A 103 13.233 0.490 -7.099 1.00 0.00 C ATOM 1294 CG ARG A 103 11.755 0.289 -6.725 1.00 0.00 C ATOM 1295 CD ARG A 103 11.151 -0.884 -7.507 1.00 0.00 C ATOM 1296 NE ARG A 103 9.770 -1.174 -7.063 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.390 -1.997 -6.100 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.242 -2.674 -5.380 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.125 -2.158 -5.834 1.00 0.00 N ATOM 0 H ARG A 103 12.735 2.758 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 103 13.556 1.741 -5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.320 0.618 -8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.798 -0.405 -6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.668 0.102 -5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.195 1.200 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.151 -0.652 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.771 -1.770 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 103 9.025 -0.682 -7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.243 -2.579 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.907 -3.298 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.422 -1.648 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.837 -2.794 -5.090 1.00 0.00 H new ATOM 1313 N LYS A 104 16.113 2.394 -7.169 1.00 0.00 N ATOM 1314 CA LYS A 104 17.588 2.479 -7.117 1.00 0.00 C ATOM 1315 C LYS A 104 18.128 3.744 -6.438 1.00 0.00 C ATOM 1316 O LYS A 104 19.329 3.821 -6.179 1.00 0.00 O ATOM 1317 CB LYS A 104 18.189 2.211 -8.509 1.00 0.00 C ATOM 1318 CG LYS A 104 18.236 3.430 -9.447 1.00 0.00 C ATOM 1319 CD LYS A 104 18.762 3.086 -10.849 1.00 0.00 C ATOM 1320 CE LYS A 104 17.738 2.251 -11.628 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.186 1.936 -13.010 1.00 0.00 N ATOM 0 H LYS A 104 15.698 2.996 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 104 17.930 1.685 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.203 1.830 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.611 1.423 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.236 3.854 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.871 4.198 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.980 4.004 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.699 2.535 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.550 1.321 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.792 2.791 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.383 1.569 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.549 2.799 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.939 1.220 -12.976 1.00 0.00 H new ATOM 1335 N ASN A 105 17.266 4.724 -6.134 1.00 0.00 N ATOM 1336 CA ASN A 105 17.664 5.961 -5.443 1.00 0.00 C ATOM 1337 C ASN A 105 17.266 5.912 -3.959 1.00 0.00 C ATOM 1338 O ASN A 105 18.104 5.972 -3.061 1.00 0.00 O ATOM 1339 CB ASN A 105 17.029 7.162 -6.176 1.00 0.00 C ATOM 1340 CG ASN A 105 17.842 7.589 -7.384 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.652 8.499 -7.339 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.661 6.915 -8.487 1.00 0.00 N ATOM 0 H ASN A 105 16.272 4.683 -6.360 1.00 0.00 H new ATOM 0 HA ASN A 105 18.748 6.070 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.020 6.900 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.939 8.001 -5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.200 7.148 -9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.981 6.155 -8.515 1.00 0.00 H new ATOM 1349 N LEU A 106 15.963 5.795 -3.725 1.00 0.00 N ATOM 1350 CA LEU A 106 15.339 5.678 -2.404 1.00 0.00 C ATOM 1351 C LEU A 106 15.610 4.288 -1.795 1.00 0.00 C ATOM 1352 O LEU A 106 15.799 3.305 -2.515 1.00 0.00 O ATOM 1353 CB LEU A 106 13.816 5.920 -2.526 1.00 0.00 C ATOM 1354 CG LEU A 106 13.339 7.367 -2.777 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.871 8.010 -4.057 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.813 7.350 -2.864 1.00 0.00 C ATOM 0 H LEU A 106 15.280 5.778 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 106 15.771 6.429 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.441 5.297 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.345 5.566 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 106 13.725 7.963 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.480 9.024 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.960 8.042 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.553 7.423 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.447 8.361 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.503 6.703 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.399 6.974 -1.928 1.00 0.00 H new ATOM 1368 N VAL A 107 15.530 4.182 -0.463 1.00 0.00 N ATOM 1369 CA VAL A 107 15.605 2.898 0.280 1.00 0.00 C ATOM 1370 C VAL A 107 14.303 2.082 0.226 1.00 0.00 C ATOM 1371 O VAL A 107 13.756 1.657 1.244 1.00 0.00 O ATOM 1372 CB VAL A 107 16.130 3.048 1.719 1.00 0.00 C ATOM 1373 CG1 VAL A 107 17.599 3.488 1.712 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.329 4.034 2.581 1.00 0.00 C ATOM 0 H VAL A 107 15.410 4.991 0.146 1.00 0.00 H new ATOM 0 HA VAL A 107 16.354 2.317 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 107 16.017 2.061 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 107 17.953 3.589 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 107 18.200 2.742 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.689 4.447 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 107 15.764 4.081 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 107 15.359 5.024 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 107 14.294 3.698 2.652 1.00 0.00 H new ATOM 1384 N THR A 108 13.803 1.848 -0.987 1.00 0.00 N ATOM 1385 CA THR A 108 12.663 0.956 -1.252 1.00 0.00 C ATOM 1386 C THR A 108 11.382 1.379 -0.522 1.00 0.00 C ATOM 1387 O THR A 108 10.767 0.631 0.241 1.00 0.00 O ATOM 1388 CB THR A 108 13.065 -0.515 -1.023 1.00 0.00 C ATOM 1389 OG1 THR A 108 14.267 -0.793 -1.723 1.00 0.00 O ATOM 1390 CG2 THR A 108 12.029 -1.509 -1.577 1.00 0.00 C ATOM 0 H THR A 108 14.182 2.278 -1.831 1.00 0.00 H new ATOM 0 HA THR A 108 12.401 1.050 -2.306 1.00 0.00 H new ATOM 0 HB THR A 108 13.158 -0.636 0.056 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.523 -1.727 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.365 -2.528 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.070 -1.346 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.918 -1.358 -2.651 1.00 0.00 H new ATOM 1398 N LEU A 109 10.981 2.629 -0.763 1.00 0.00 N ATOM 1399 CA LEU A 109 9.677 3.150 -0.365 1.00 0.00 C ATOM 1400 C LEU A 109 8.669 2.873 -1.490 1.00 0.00 C ATOM 1401 O LEU A 109 8.997 3.006 -2.671 1.00 0.00 O ATOM 1402 CB LEU A 109 9.794 4.649 -0.054 1.00 0.00 C ATOM 1403 CG LEU A 109 10.299 5.022 1.344 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.297 4.634 2.431 1.00 0.00 C ATOM 1405 CD2 LEU A 109 11.658 4.427 1.704 1.00 0.00 C ATOM 0 H LEU A 109 11.562 3.314 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 109 9.324 2.655 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.462 5.098 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.813 5.104 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 109 10.415 6.105 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.692 4.915 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.354 5.152 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.129 3.557 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.938 4.742 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.600 3.339 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 109 12.407 4.775 0.993 1.00 0.00 H new ATOM 1417 N ALA A 110 7.451 2.479 -1.121 1.00 0.00 N ATOM 1418 CA ALA A 110 6.427 2.015 -2.058 1.00 0.00 C ATOM 1419 C ALA A 110 5.000 2.256 -1.527 1.00 0.00 C ATOM 1420 O ALA A 110 4.777 2.344 -0.317 1.00 0.00 O ATOM 1421 CB ALA A 110 6.702 0.531 -2.338 1.00 0.00 C ATOM 0 H ALA A 110 7.143 2.473 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 110 6.481 2.585 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.957 0.148 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.696 0.421 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 110 6.649 -0.031 -1.406 1.00 0.00 H new ATOM 1427 N THR A 111 4.034 2.390 -2.442 1.00 0.00 N ATOM 1428 CA THR A 111 2.629 2.731 -2.137 1.00 0.00 C ATOM 1429 C THR A 111 1.643 2.225 -3.198 1.00 0.00 C ATOM 1430 O THR A 111 2.030 1.868 -4.321 1.00 0.00 O ATOM 1431 CB THR A 111 2.479 4.252 -1.942 1.00 0.00 C ATOM 1432 OG1 THR A 111 1.153 4.569 -1.565 1.00 0.00 O ATOM 1433 CG2 THR A 111 2.816 5.088 -3.182 1.00 0.00 C ATOM 0 H THR A 111 4.205 2.263 -3.439 1.00 0.00 H new ATOM 0 HA THR A 111 2.375 2.218 -1.209 1.00 0.00 H new ATOM 0 HB THR A 111 3.200 4.505 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.071 5.538 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.683 6.146 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.851 4.907 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.154 4.807 -4.001 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.259 12.127 -11.445 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.900 12.906 -10.646 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.224 10.631 -9.982 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.536 13.667 -13.298 1.00 0.00 C HETATM 1446 CD1 48L A 200 3.196 12.353 -11.896 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.949 13.195 -9.774 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.474 9.771 -11.058 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.659 10.256 -8.706 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.601 12.934 -13.841 1.00 0.00 C HETATM 1451 CD6 48L A 200 0.006 14.707 -14.075 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.518 12.117 -12.274 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.271 12.955 -10.144 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.324 9.048 -8.503 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.157 8.574 -10.855 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.156 13.269 -15.074 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.566 15.047 -15.298 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.554 12.427 -11.398 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.579 8.202 -9.582 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.649 14.344 -15.800 1.00 0.00 C HETATM 1461 CL 48L A 200 7.197 12.156 -11.859 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -3.442 14.272 -17.521 1.00 0.00 C HETATM 1463 CM2 48L A 200 3.548 15.495 -13.314 1.00 0.00 C HETATM 1464 CM3 48L A 200 2.655 15.175 -15.668 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.229 18.495 -12.008 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.330 17.842 -12.413 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.191 19.702 -12.156 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.568 16.407 -12.207 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.266 16.223 -11.235 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.684 15.823 -11.089 1.00 0.00 C HETATM 1471 N3 48L A 200 0.770 14.119 -11.129 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.161 14.730 -17.024 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.089 17.696 -11.375 1.00 0.00 C HETATM 1474 C5 48L A 200 0.796 15.448 -10.883 1.00 0.00 C HETATM 1475 O5 48L A 200 1.747 15.959 -10.321 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.067 13.299 -11.925 1.00 0.00 C HETATM 1477 O6 48L A 200 1.167 15.362 -13.729 1.00 0.00 O HETATM 1478 C7 48L A 200 0.516 11.972 -10.181 1.00 0.00 C HETATM 1479 C8 48L A 200 1.461 13.205 -10.212 1.00 0.00 C HETATM 1480 C9 48L A 200 2.448 14.853 -14.178 1.00 0.00 C HETATM 1481 BR 48L A 200 2.526 7.447 -12.335 1.00 0.00 BR HETATM 1482 F 48L A 200 1.445 11.063 -7.650 1.00 0.00 F