USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 565 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 46 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 MET CE :methyl -178:sc= -0.353 (180deg=-0.38) USER MOD Set 2.1: A 20 GLN : amide:sc= 0 X(o=-0.15,f=-0.35) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Set 3.1: A 12 ASN : amide:sc= 0.386 K(o=1.6,f=-0.31) USER MOD Set 3.2: A 15 THR OG1 : rot -78:sc= 1.2 USER MOD Set 3.3: A 42 GLN : amide:sc= -0.0335 K(o=1.6,f=-0.31!) USER MOD Set 4.1: A 1 MET N :NH3+ -166:sc= -0.232 (180deg=-0.759) USER MOD Set 4.2: A 2 GLN : amide:sc= -0.148 K(o=-0.38,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.668 K(o=-0.67,f=-2.1!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.14) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.082 K(o=-0.082,f=-0.65) USER MOD Single : A 34 GLN : amide:sc= 0.781 K(o=0.78,f=-0.55) USER MOD Single : A 35 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.17) USER MOD Single : A 40 GLN : amide:sc= -0.954 K(o=-0.95,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc=-0.00116 X(o=-0.0012,f=-0.39) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00224 X(o=-0.0022,f=-0.021) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00403 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 69 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.878 -3.731 -3.172 1.00 25.00 N ATOM 2 CA MET A 1 10.002 -2.331 -3.684 1.00 25.00 C ATOM 3 C MET A 1 9.321 -2.160 -5.036 1.00 25.00 C ATOM 4 O MET A 1 9.006 -1.095 -5.544 1.00 25.00 O ATOM 5 CB MET A 1 11.498 -1.926 -3.770 1.00 25.00 C ATOM 6 CG MET A 1 12.186 -2.018 -2.384 1.00 25.00 C ATOM 7 SD MET A 1 13.905 -1.445 -2.425 1.00 25.00 S ATOM 8 CE MET A 1 14.362 -1.804 -0.688 1.00 25.00 C ATOM 0 H1 MET A 1 10.136 -3.756 -2.165 1.00 25.00 H new ATOM 0 H2 MET A 1 8.897 -4.057 -3.286 1.00 25.00 H new ATOM 0 H3 MET A 1 10.514 -4.354 -3.709 1.00 25.00 H new ATOM 0 HA MET A 1 9.494 -1.672 -2.980 1.00 25.00 H new ATOM 0 HB2 MET A 1 12.013 -2.575 -4.478 1.00 25.00 H new ATOM 0 HB3 MET A 1 11.580 -0.909 -4.153 1.00 25.00 H new ATOM 0 HG2 MET A 1 11.625 -1.423 -1.663 1.00 25.00 H new ATOM 0 HG3 MET A 1 12.158 -3.051 -2.036 1.00 25.00 H new ATOM 0 HE1 MET A 1 15.399 -1.515 -0.518 1.00 25.00 H new ATOM 0 HE2 MET A 1 13.714 -1.240 -0.017 1.00 25.00 H new ATOM 0 HE3 MET A 1 14.246 -2.870 -0.494 1.00 25.00 H new ATOM 19 N GLN A 2 9.036 -3.306 -5.628 1.00 25.00 N ATOM 20 CA GLN A 2 8.380 -3.435 -6.925 1.00 25.00 C ATOM 21 C GLN A 2 6.886 -3.164 -6.790 1.00 25.00 C ATOM 22 O GLN A 2 6.194 -3.047 -7.790 1.00 25.00 O ATOM 23 CB GLN A 2 8.622 -4.841 -7.516 1.00 25.00 C ATOM 24 CG GLN A 2 10.079 -5.150 -7.949 1.00 25.00 C ATOM 25 CD GLN A 2 11.041 -5.270 -6.768 1.00 25.00 C ATOM 26 OE1 GLN A 2 10.649 -5.670 -5.688 1.00 25.00 O ATOM 27 NE2 GLN A 2 12.274 -4.896 -6.970 1.00 25.00 N ATOM 0 H GLN A 2 9.262 -4.207 -5.207 1.00 25.00 H new ATOM 0 HA GLN A 2 8.807 -2.698 -7.605 1.00 25.00 H new ATOM 0 HB2 GLN A 2 8.318 -5.582 -6.777 1.00 25.00 H new ATOM 0 HB3 GLN A 2 7.971 -4.968 -8.381 1.00 25.00 H new ATOM 0 HG2 GLN A 2 10.094 -6.080 -8.518 1.00 25.00 H new ATOM 0 HG3 GLN A 2 10.428 -4.362 -8.616 1.00 25.00 H new ATOM 0 HE21 GLN A 2 12.563 -4.567 -7.891 1.00 25.00 H new ATOM 0 HE22 GLN A 2 12.950 -4.933 -6.207 1.00 25.00 H new ATOM 36 N GLN A 3 6.408 -2.969 -5.563 1.00 25.00 N ATOM 37 CA GLN A 3 4.988 -2.633 -5.307 1.00 25.00 C ATOM 38 C GLN A 3 4.573 -1.342 -6.005 1.00 25.00 C ATOM 39 O GLN A 3 3.441 -1.182 -6.414 1.00 25.00 O ATOM 40 CB GLN A 3 4.740 -2.554 -3.808 1.00 25.00 C ATOM 41 CG GLN A 3 4.935 -3.913 -3.086 1.00 25.00 C ATOM 42 CD GLN A 3 4.639 -3.838 -1.602 1.00 25.00 C ATOM 43 OE1 GLN A 3 4.252 -2.817 -1.079 1.00 25.00 O ATOM 44 NE2 GLN A 3 4.856 -4.936 -0.919 1.00 25.00 N ATOM 0 H GLN A 3 6.977 -3.036 -4.719 1.00 25.00 H new ATOM 0 HA GLN A 3 4.370 -3.427 -5.726 1.00 25.00 H new ATOM 0 HB2 GLN A 3 5.416 -1.818 -3.372 1.00 25.00 H new ATOM 0 HB3 GLN A 3 3.725 -2.198 -3.632 1.00 25.00 H new ATOM 0 HG2 GLN A 3 4.285 -4.659 -3.544 1.00 25.00 H new ATOM 0 HG3 GLN A 3 5.961 -4.252 -3.230 1.00 25.00 H new ATOM 0 HE21 GLN A 3 5.182 -5.777 -1.395 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.699 -4.949 0.089 1.00 25.00 H new ATOM 53 N LYS A 4 5.565 -0.503 -6.279 1.00 25.00 N ATOM 54 CA LYS A 4 5.425 0.686 -7.129 1.00 25.00 C ATOM 55 C LYS A 4 4.653 0.430 -8.436 1.00 25.00 C ATOM 56 O LYS A 4 3.924 1.296 -8.906 1.00 25.00 O ATOM 57 CB LYS A 4 6.850 1.178 -7.466 1.00 25.00 C ATOM 58 CG LYS A 4 6.924 2.199 -8.622 1.00 25.00 C ATOM 59 CD LYS A 4 8.329 2.820 -8.789 1.00 25.00 C ATOM 60 CE LYS A 4 9.341 1.807 -9.365 1.00 25.00 C ATOM 61 NZ LYS A 4 10.706 2.403 -9.610 1.00 25.00 N ATOM 0 H LYS A 4 6.509 -0.627 -5.913 1.00 25.00 H new ATOM 0 HA LYS A 4 4.844 1.426 -6.579 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.285 1.628 -6.574 1.00 25.00 H new ATOM 0 HB3 LYS A 4 7.466 0.316 -7.721 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.637 1.708 -9.552 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.200 2.994 -8.444 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.267 3.686 -9.448 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.684 3.179 -7.823 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.437 0.967 -8.676 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.952 1.408 -10.302 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 11.339 1.674 -9.996 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.626 3.187 -10.289 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 11.095 2.760 -8.714 1.00 25.00 H new ATOM 75 N GLN A 5 4.808 -0.745 -9.024 1.00 25.00 N ATOM 76 CA GLN A 5 4.159 -1.056 -10.287 1.00 25.00 C ATOM 77 C GLN A 5 2.627 -1.023 -10.184 1.00 25.00 C ATOM 78 O GLN A 5 1.960 -0.707 -11.143 1.00 25.00 O ATOM 79 CB GLN A 5 4.661 -2.412 -10.814 1.00 25.00 C ATOM 80 CG GLN A 5 4.093 -3.678 -10.098 1.00 25.00 C ATOM 81 CD GLN A 5 2.743 -4.129 -10.624 1.00 25.00 C ATOM 82 OE1 GLN A 5 2.308 -3.740 -11.670 1.00 25.00 O ATOM 83 NE2 GLN A 5 2.094 -4.955 -9.872 1.00 25.00 N ATOM 0 H GLN A 5 5.379 -1.501 -8.646 1.00 25.00 H new ATOM 0 HA GLN A 5 4.430 -0.279 -11.002 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.418 -2.479 -11.875 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.748 -2.431 -10.734 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.806 -4.495 -10.207 1.00 25.00 H new ATOM 0 HG3 GLN A 5 4.006 -3.471 -9.031 1.00 25.00 H new ATOM 0 HE21 GLN A 5 2.497 -5.264 -8.987 1.00 25.00 H new ATOM 0 HE22 GLN A 5 1.179 -5.298 -10.163 1.00 25.00 H new ATOM 92 N GLN A 6 2.078 -1.309 -9.009 1.00 25.00 N ATOM 93 CA GLN A 6 0.623 -1.277 -8.830 1.00 25.00 C ATOM 94 C GLN A 6 0.126 0.141 -9.018 1.00 25.00 C ATOM 95 O GLN A 6 -0.913 0.391 -9.633 1.00 25.00 O ATOM 96 CB GLN A 6 0.249 -1.725 -7.413 1.00 25.00 C ATOM 97 CG GLN A 6 0.601 -3.169 -7.095 1.00 25.00 C ATOM 98 CD GLN A 6 0.246 -3.520 -5.664 1.00 25.00 C ATOM 99 OE1 GLN A 6 0.640 -2.833 -4.727 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.531 -4.561 -5.495 1.00 25.00 N ATOM 0 H GLN A 6 2.606 -1.563 -8.174 1.00 25.00 H new ATOM 0 HA GLN A 6 0.171 -1.947 -9.561 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.751 -1.076 -6.696 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.823 -1.586 -7.273 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.071 -3.834 -7.777 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.667 -3.330 -7.258 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.836 -5.106 -6.301 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -0.831 -4.827 -4.557 1.00 25.00 H new ATOM 109 N ILE A 7 0.890 1.084 -8.484 1.00 25.00 N ATOM 110 CA ILE A 7 0.538 2.484 -8.539 1.00 25.00 C ATOM 111 C ILE A 7 0.734 2.977 -9.962 1.00 25.00 C ATOM 112 O ILE A 7 -0.099 3.703 -10.496 1.00 25.00 O ATOM 113 CB ILE A 7 1.430 3.307 -7.541 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.291 2.767 -6.100 1.00 25.00 C ATOM 115 CG2 ILE A 7 1.044 4.812 -7.599 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.470 3.087 -5.190 1.00 25.00 C ATOM 0 H ILE A 7 1.769 0.894 -8.003 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.504 2.618 -8.247 1.00 25.00 H new ATOM 0 HB ILE A 7 2.472 3.198 -7.840 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.384 3.178 -5.657 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.163 1.685 -6.141 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.667 5.375 -6.904 1.00 25.00 H new ATOM 0 HG22 ILE A 7 1.198 5.188 -8.610 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.004 4.930 -7.323 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.288 2.671 -4.199 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.379 2.652 -5.605 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.588 4.168 -5.113 1.00 25.00 H new ATOM 128 N MET A 8 1.829 2.575 -10.586 1.00 25.00 N ATOM 129 CA MET A 8 2.105 3.006 -11.957 1.00 25.00 C ATOM 130 C MET A 8 1.052 2.477 -12.935 1.00 25.00 C ATOM 131 O MET A 8 0.671 3.194 -13.867 1.00 25.00 O ATOM 132 CB MET A 8 3.507 2.577 -12.413 1.00 25.00 C ATOM 133 CG MET A 8 4.621 3.271 -11.634 1.00 25.00 C ATOM 134 SD MET A 8 6.255 2.992 -12.365 1.00 25.00 S ATOM 135 CE MET A 8 6.314 4.244 -13.639 1.00 25.00 C ATOM 0 H MET A 8 2.534 1.961 -10.178 1.00 25.00 H new ATOM 0 HA MET A 8 2.061 4.095 -11.958 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.607 1.498 -12.297 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.622 2.796 -13.475 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.421 4.342 -11.596 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.620 2.910 -10.605 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.266 4.183 -14.165 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.499 4.084 -14.344 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.213 5.230 -13.185 1.00 25.00 H new ATOM 145 N ALA A 9 0.566 1.271 -12.703 1.00 25.00 N ATOM 146 CA ALA A 9 -0.494 0.691 -13.542 1.00 25.00 C ATOM 147 C ALA A 9 -1.792 1.481 -13.357 1.00 25.00 C ATOM 148 O ALA A 9 -2.500 1.766 -14.311 1.00 25.00 O ATOM 149 CB ALA A 9 -0.720 -0.778 -13.176 1.00 25.00 C ATOM 0 H ALA A 9 0.881 0.666 -11.944 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.185 0.746 -14.586 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.507 -1.193 -13.805 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.202 -1.338 -13.332 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.016 -0.851 -12.130 1.00 25.00 H new ATOM 155 N ALA A 10 -2.091 1.863 -12.119 1.00 25.00 N ATOM 156 CA ALA A 10 -3.281 2.664 -11.832 1.00 25.00 C ATOM 157 C ALA A 10 -3.174 4.024 -12.543 1.00 25.00 C ATOM 158 O ALA A 10 -4.127 4.476 -13.161 1.00 25.00 O ATOM 159 CB ALA A 10 -3.434 2.839 -10.304 1.00 25.00 C ATOM 0 H ALA A 10 -1.529 1.633 -11.300 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.169 2.155 -12.206 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.321 3.436 -10.093 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.535 1.861 -9.834 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.554 3.344 -9.906 1.00 25.00 H new ATOM 165 N LEU A 11 -2.019 4.667 -12.435 1.00 25.00 N ATOM 166 CA LEU A 11 -1.822 5.960 -13.066 1.00 25.00 C ATOM 167 C LEU A 11 -1.845 5.825 -14.589 1.00 25.00 C ATOM 168 O LEU A 11 -2.271 6.741 -15.288 1.00 25.00 O ATOM 169 CB LEU A 11 -0.482 6.592 -12.630 1.00 25.00 C ATOM 170 CG LEU A 11 -0.368 7.065 -11.156 1.00 25.00 C ATOM 171 CD1 LEU A 11 1.068 7.491 -10.888 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.320 8.232 -10.854 1.00 25.00 C ATOM 0 H LEU A 11 -1.212 4.316 -11.920 1.00 25.00 H new ATOM 0 HA LEU A 11 -2.638 6.608 -12.748 1.00 25.00 H new ATOM 0 HB2 LEU A 11 0.310 5.866 -12.814 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.286 7.448 -13.276 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.650 6.237 -10.506 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.161 7.826 -9.855 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.736 6.646 -11.058 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.337 8.307 -11.559 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.208 8.532 -9.812 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.080 9.075 -11.502 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.348 7.918 -11.033 1.00 25.00 H new ATOM 184 N ASN A 12 -1.409 4.678 -15.114 1.00 25.00 N ATOM 185 CA ASN A 12 -1.462 4.412 -16.550 1.00 25.00 C ATOM 186 C ASN A 12 -2.902 4.481 -17.034 1.00 25.00 C ATOM 187 O ASN A 12 -3.206 5.101 -18.041 1.00 25.00 O ATOM 188 CB ASN A 12 -0.886 3.028 -16.842 1.00 25.00 C ATOM 189 CG ASN A 12 0.415 3.084 -17.565 1.00 25.00 C ATOM 190 OD1 ASN A 12 0.457 3.031 -18.795 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.484 3.203 -16.833 1.00 25.00 N ATOM 0 H ASN A 12 -1.014 3.917 -14.562 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.871 5.164 -17.074 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.752 2.490 -15.903 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.602 2.460 -17.436 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.402 3.256 -17.275 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.404 3.243 -15.817 1.00 25.00 H new ATOM 198 N SER A 13 -3.792 3.856 -16.279 1.00 25.00 N ATOM 199 CA SER A 13 -5.203 3.826 -16.638 1.00 25.00 C ATOM 200 C SER A 13 -5.829 5.211 -16.563 1.00 25.00 C ATOM 201 O SER A 13 -6.590 5.598 -17.435 1.00 25.00 O ATOM 202 CB SER A 13 -5.967 2.883 -15.705 1.00 25.00 C ATOM 203 OG SER A 13 -7.345 2.813 -16.041 1.00 25.00 O ATOM 0 H SER A 13 -3.564 3.363 -15.415 1.00 25.00 H new ATOM 0 HA SER A 13 -5.269 3.469 -17.666 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.529 1.886 -15.757 1.00 25.00 H new ATOM 0 HB3 SER A 13 -5.861 3.225 -14.675 1.00 25.00 H new ATOM 0 HG SER A 13 -7.801 2.201 -15.426 1.00 25.00 H new ATOM 209 N GLN A 14 -5.498 5.945 -15.510 1.00 25.00 N ATOM 210 CA GLN A 14 -6.046 7.291 -15.310 1.00 25.00 C ATOM 211 C GLN A 14 -5.583 8.278 -16.384 1.00 25.00 C ATOM 212 O GLN A 14 -6.347 9.143 -16.792 1.00 25.00 O ATOM 213 CB GLN A 14 -5.599 7.840 -13.949 1.00 25.00 C ATOM 214 CG GLN A 14 -6.145 7.098 -12.715 1.00 25.00 C ATOM 215 CD GLN A 14 -7.639 7.263 -12.521 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.210 8.288 -12.839 1.00 25.00 O ATOM 217 NE2 GLN A 14 -8.267 6.243 -11.987 1.00 25.00 N ATOM 0 H GLN A 14 -4.855 5.638 -14.780 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.130 7.195 -15.365 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.510 7.819 -13.910 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -5.900 8.886 -13.883 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -5.914 6.037 -12.808 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -5.629 7.460 -11.826 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -7.750 5.401 -11.735 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -9.273 6.292 -11.824 1.00 25.00 H new ATOM 226 N THR A 15 -4.328 8.175 -16.813 1.00 25.00 N ATOM 227 CA THR A 15 -3.759 9.161 -17.744 1.00 25.00 C ATOM 228 C THR A 15 -3.746 8.710 -19.202 1.00 25.00 C ATOM 229 O THR A 15 -3.214 9.419 -20.048 1.00 25.00 O ATOM 230 CB THR A 15 -2.313 9.532 -17.342 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.493 8.362 -17.341 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.282 10.149 -15.946 1.00 25.00 C ATOM 0 H THR A 15 -3.687 7.430 -16.538 1.00 25.00 H new ATOM 0 HA THR A 15 -4.421 10.024 -17.670 1.00 25.00 H new ATOM 0 HB THR A 15 -1.936 10.255 -18.066 1.00 25.00 H new ATOM 0 HG1 THR A 15 -1.664 7.843 -16.527 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.255 10.403 -15.683 1.00 25.00 H new ATOM 0 HG22 THR A 15 -2.893 11.051 -15.933 1.00 25.00 H new ATOM 0 HG23 THR A 15 -2.676 9.434 -15.223 1.00 25.00 H new ATOM 240 N ALA A 16 -4.317 7.540 -19.487 1.00 25.00 N ATOM 241 CA ALA A 16 -4.273 6.941 -20.826 1.00 25.00 C ATOM 242 C ALA A 16 -4.634 7.901 -21.972 1.00 25.00 C ATOM 243 O ALA A 16 -3.766 8.350 -22.714 1.00 25.00 O ATOM 244 CB ALA A 16 -5.207 5.718 -20.849 1.00 25.00 C ATOM 0 H ALA A 16 -4.822 6.980 -18.800 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.236 6.658 -21.007 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.185 5.262 -21.839 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.874 4.992 -20.107 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.224 6.033 -20.617 1.00 25.00 H new ATOM 250 N VAL A 17 -5.912 8.227 -22.101 1.00 25.00 N ATOM 251 CA VAL A 17 -6.345 9.114 -23.188 1.00 25.00 C ATOM 252 C VAL A 17 -5.852 10.556 -22.946 1.00 25.00 C ATOM 253 O VAL A 17 -5.619 11.320 -23.884 1.00 25.00 O ATOM 254 CB VAL A 17 -7.898 9.064 -23.397 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.654 9.759 -22.256 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.280 9.695 -24.739 1.00 25.00 C ATOM 0 H VAL A 17 -6.658 7.903 -21.485 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.891 8.753 -24.111 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.189 8.014 -23.397 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.727 9.701 -22.442 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.422 9.266 -21.312 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.351 10.805 -22.203 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.362 9.651 -24.867 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.954 10.735 -24.758 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.797 9.148 -25.549 1.00 25.00 H new ATOM 266 N GLN A 18 -5.666 10.919 -21.686 1.00 25.00 N ATOM 267 CA GLN A 18 -5.239 12.269 -21.318 1.00 25.00 C ATOM 268 C GLN A 18 -3.876 12.610 -21.918 1.00 25.00 C ATOM 269 O GLN A 18 -3.668 13.693 -22.474 1.00 25.00 O ATOM 270 CB GLN A 18 -5.174 12.373 -19.788 1.00 25.00 C ATOM 271 CG GLN A 18 -4.989 13.789 -19.278 1.00 25.00 C ATOM 272 CD GLN A 18 -4.833 13.853 -17.773 1.00 25.00 C ATOM 273 OE1 GLN A 18 -5.411 13.087 -17.039 1.00 25.00 O ATOM 274 NE2 GLN A 18 -4.019 14.777 -17.316 1.00 25.00 N ATOM 0 H GLN A 18 -5.804 10.294 -20.892 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.963 12.981 -21.715 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.091 11.962 -19.366 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.352 11.756 -19.426 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.110 14.228 -19.749 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.846 14.393 -19.576 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -3.547 15.407 -17.965 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -3.859 14.864 -16.312 1.00 25.00 H new ATOM 283 N PHE A 19 -2.943 11.686 -21.803 1.00 25.00 N ATOM 284 CA PHE A 19 -1.585 11.904 -22.314 1.00 25.00 C ATOM 285 C PHE A 19 -1.508 11.557 -23.790 1.00 25.00 C ATOM 286 O PHE A 19 -0.626 12.037 -24.492 1.00 25.00 O ATOM 287 CB PHE A 19 -0.563 11.058 -21.531 1.00 25.00 C ATOM 288 CG PHE A 19 -0.312 11.527 -20.099 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.977 12.651 -19.528 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.614 10.835 -19.304 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.704 13.062 -18.201 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.900 11.263 -17.972 1.00 25.00 C ATOM 293 CZ PHE A 19 0.237 12.374 -17.428 1.00 25.00 C ATOM 0 H PHE A 19 -3.089 10.777 -21.364 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.344 12.959 -22.182 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.910 10.025 -21.505 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.383 11.063 -22.072 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.700 13.197 -20.116 1.00 25.00 H new ATOM 0 HD2 PHE A 19 1.117 9.967 -19.705 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.225 13.911 -17.784 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.630 10.730 -17.381 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.452 12.695 -16.420 1.00 25.00 H new ATOM 303 N GLN A 20 -2.437 10.752 -24.268 1.00 25.00 N ATOM 304 CA GLN A 20 -2.480 10.372 -25.679 1.00 25.00 C ATOM 305 C GLN A 20 -2.700 11.576 -26.587 1.00 25.00 C ATOM 306 O GLN A 20 -2.002 11.739 -27.578 1.00 25.00 O ATOM 307 CB GLN A 20 -3.607 9.359 -25.900 1.00 25.00 C ATOM 308 CG GLN A 20 -3.650 8.770 -27.292 1.00 25.00 C ATOM 309 CD GLN A 20 -4.878 7.921 -27.457 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.977 8.402 -27.282 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.715 6.675 -27.794 1.00 25.00 N ATOM 0 H GLN A 20 -3.180 10.343 -23.701 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.516 9.932 -25.934 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.498 8.549 -25.179 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.561 9.844 -25.694 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.649 9.569 -28.033 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.757 8.170 -27.469 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.775 6.303 -27.933 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.527 6.070 -27.919 1.00 25.00 H new ATOM 320 N GLN A 21 -3.670 12.411 -26.241 1.00 25.00 N ATOM 321 CA GLN A 21 -3.985 13.571 -27.071 1.00 25.00 C ATOM 322 C GLN A 21 -2.818 14.556 -27.047 1.00 25.00 C ATOM 323 O GLN A 21 -2.452 15.123 -28.074 1.00 25.00 O ATOM 324 CB GLN A 21 -5.285 14.236 -26.597 1.00 25.00 C ATOM 325 CG GLN A 21 -6.488 13.265 -26.681 1.00 25.00 C ATOM 326 CD GLN A 21 -6.704 12.696 -28.083 1.00 25.00 C ATOM 327 OE1 GLN A 21 -6.787 13.425 -29.046 1.00 25.00 O ATOM 328 NE2 GLN A 21 -6.791 11.407 -28.188 1.00 25.00 N ATOM 0 H GLN A 21 -4.246 12.312 -25.405 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.138 13.244 -28.099 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -5.165 14.579 -25.569 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.486 15.118 -27.206 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.333 12.443 -25.982 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.391 13.787 -26.364 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.717 10.821 -27.356 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -6.934 10.978 -29.102 1.00 25.00 H new ATOM 337 N TYR A 22 -2.166 14.669 -25.893 1.00 25.00 N ATOM 338 CA TYR A 22 -0.966 15.517 -25.795 1.00 25.00 C ATOM 339 C TYR A 22 0.192 14.954 -26.631 1.00 25.00 C ATOM 340 O TYR A 22 0.872 15.692 -27.332 1.00 25.00 O ATOM 341 CB TYR A 22 -0.507 15.654 -24.342 1.00 25.00 C ATOM 342 CG TYR A 22 0.800 16.427 -24.224 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.805 17.834 -24.223 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.037 15.747 -24.142 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.024 18.548 -24.139 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.262 16.456 -24.077 1.00 25.00 C ATOM 347 CZ TYR A 22 3.251 17.860 -24.080 1.00 25.00 C ATOM 348 OH TYR A 22 4.437 18.567 -24.030 1.00 25.00 O ATOM 0 H TYR A 22 -2.434 14.199 -25.028 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.241 16.497 -26.184 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.280 16.160 -23.764 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.382 14.662 -23.907 1.00 25.00 H new ATOM 0 HD1 TYR A 22 -0.129 18.373 -24.287 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.048 14.667 -24.129 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.013 19.628 -24.120 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.198 15.920 -24.025 1.00 25.00 H new ATOM 0 HH TYR A 22 5.190 17.941 -23.992 1.00 25.00 H new ATOM 358 N ALA A 23 0.389 13.644 -26.592 1.00 25.00 N ATOM 359 CA ALA A 23 1.462 13.009 -27.352 1.00 25.00 C ATOM 360 C ALA A 23 1.238 13.223 -28.851 1.00 25.00 C ATOM 361 O ALA A 23 2.183 13.434 -29.617 1.00 25.00 O ATOM 362 CB ALA A 23 1.529 11.532 -27.020 1.00 25.00 C ATOM 0 H ALA A 23 -0.179 12.998 -26.043 1.00 25.00 H new ATOM 0 HA ALA A 23 2.414 13.464 -27.079 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.332 11.067 -27.591 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.722 11.407 -25.955 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.581 11.058 -27.275 1.00 25.00 H new ATOM 368 N ALA A 24 -0.018 13.163 -29.266 1.00 25.00 N ATOM 369 CA ALA A 24 -0.376 13.379 -30.671 1.00 25.00 C ATOM 370 C ALA A 24 -0.113 14.824 -31.111 1.00 25.00 C ATOM 371 O ALA A 24 0.122 15.086 -32.272 1.00 25.00 O ATOM 372 CB ALA A 24 -1.847 13.005 -30.876 1.00 25.00 C ATOM 0 H ALA A 24 -0.811 12.967 -28.655 1.00 25.00 H new ATOM 0 HA ALA A 24 0.254 12.742 -31.292 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.121 13.163 -31.919 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -1.995 11.957 -30.617 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.473 13.629 -30.238 1.00 25.00 H new ATOM 378 N GLN A 25 -0.133 15.734 -30.160 1.00 25.00 N ATOM 379 CA GLN A 25 0.136 17.141 -30.418 1.00 25.00 C ATOM 380 C GLN A 25 1.633 17.414 -30.608 1.00 25.00 C ATOM 381 O GLN A 25 2.016 18.458 -31.129 1.00 25.00 O ATOM 382 CB GLN A 25 -0.373 17.980 -29.226 1.00 25.00 C ATOM 383 CG GLN A 25 -1.419 18.997 -29.557 1.00 25.00 C ATOM 384 CD GLN A 25 -1.826 19.816 -28.352 1.00 25.00 C ATOM 385 OE1 GLN A 25 -2.325 19.294 -27.362 1.00 25.00 O ATOM 386 NE2 GLN A 25 -1.580 21.105 -28.412 1.00 25.00 N ATOM 0 H GLN A 25 -0.336 15.523 -29.183 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.379 17.415 -31.339 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.775 17.303 -28.472 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.477 18.492 -28.774 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.043 19.662 -30.335 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.296 18.494 -29.964 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -1.164 21.506 -29.252 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -1.805 21.705 -27.618 1.00 25.00 H new ATOM 395 N GLN A 26 2.468 16.488 -30.163 1.00 25.00 N ATOM 396 CA GLN A 26 3.920 16.639 -30.245 1.00 25.00 C ATOM 397 C GLN A 26 4.511 15.805 -31.374 1.00 25.00 C ATOM 398 O GLN A 26 5.304 16.281 -32.171 1.00 25.00 O ATOM 399 CB GLN A 26 4.587 16.233 -28.932 1.00 25.00 C ATOM 400 CG GLN A 26 4.304 17.175 -27.754 1.00 25.00 C ATOM 401 CD GLN A 26 4.980 18.528 -27.913 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.169 18.604 -28.162 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.238 19.593 -27.737 1.00 25.00 N ATOM 0 H GLN A 26 2.164 15.613 -29.736 1.00 25.00 H new ATOM 0 HA GLN A 26 4.114 17.693 -30.445 1.00 25.00 H new ATOM 0 HB2 GLN A 26 4.255 15.230 -28.666 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.665 16.181 -29.088 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.228 17.319 -27.659 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.646 16.708 -26.830 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.244 19.494 -27.530 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.654 20.522 -27.807 1.00 25.00 H new ATOM 412 N TYR A 27 4.078 14.555 -31.447 1.00 25.00 N ATOM 413 CA TYR A 27 4.525 13.615 -32.483 1.00 25.00 C ATOM 414 C TYR A 27 3.329 13.135 -33.344 1.00 25.00 C ATOM 415 O TYR A 27 2.952 11.953 -33.288 1.00 25.00 O ATOM 416 CB TYR A 27 5.210 12.394 -31.835 1.00 25.00 C ATOM 417 CG TYR A 27 6.463 12.682 -30.997 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.307 13.773 -31.292 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.805 11.859 -29.908 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.452 14.043 -30.508 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.961 12.119 -29.113 1.00 25.00 C ATOM 422 CZ TYR A 27 8.770 13.209 -29.424 1.00 25.00 C ATOM 423 OH TYR A 27 9.890 13.484 -28.681 1.00 25.00 O ATOM 0 H TYR A 27 3.406 14.156 -30.792 1.00 25.00 H new ATOM 0 HA TYR A 27 5.237 14.134 -33.125 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.482 11.891 -31.199 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.481 11.694 -32.626 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.075 14.413 -32.131 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.179 11.012 -29.669 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.081 14.889 -30.742 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.206 11.478 -28.279 1.00 25.00 H new ATOM 0 HH TYR A 27 9.978 12.821 -27.965 1.00 25.00 H new ATOM 433 N PRO A 28 2.702 14.038 -34.133 1.00 25.00 N ATOM 434 CA PRO A 28 1.549 13.570 -34.895 1.00 25.00 C ATOM 435 C PRO A 28 1.919 12.529 -35.951 1.00 25.00 C ATOM 436 O PRO A 28 2.957 12.609 -36.589 1.00 25.00 O ATOM 437 CB PRO A 28 1.007 14.851 -35.553 1.00 25.00 C ATOM 438 CG PRO A 28 2.192 15.731 -35.662 1.00 25.00 C ATOM 439 CD PRO A 28 2.944 15.467 -34.379 1.00 25.00 C ATOM 0 HA PRO A 28 0.822 13.066 -34.258 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.573 14.644 -36.531 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.225 15.309 -34.948 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.794 15.488 -36.538 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.907 16.779 -35.752 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.007 15.683 -34.484 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.573 16.084 -33.561 1.00 25.00 H new ATOM 447 N GLY A 29 1.073 11.520 -36.101 1.00 25.00 N ATOM 448 CA GLY A 29 1.316 10.460 -37.078 1.00 25.00 C ATOM 449 C GLY A 29 2.238 9.349 -36.588 1.00 25.00 C ATOM 450 O GLY A 29 2.250 8.269 -37.160 1.00 25.00 O ATOM 0 H GLY A 29 0.214 11.410 -35.562 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.360 10.022 -37.365 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.746 10.903 -37.976 1.00 25.00 H new ATOM 454 N ASN A 30 3.002 9.588 -35.529 1.00 25.00 N ATOM 455 CA ASN A 30 3.977 8.608 -35.054 1.00 25.00 C ATOM 456 C ASN A 30 3.473 7.908 -33.823 1.00 25.00 C ATOM 457 O ASN A 30 3.852 8.259 -32.712 1.00 25.00 O ATOM 458 CB ASN A 30 5.311 9.293 -34.752 1.00 25.00 C ATOM 459 CG ASN A 30 6.051 9.705 -35.998 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.765 10.745 -36.567 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.965 8.892 -36.448 1.00 25.00 N ATOM 0 H ASN A 30 2.967 10.449 -34.983 1.00 25.00 H new ATOM 0 HA ASN A 30 4.125 7.867 -35.839 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.131 10.173 -34.134 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.937 8.617 -34.169 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.470 9.117 -37.305 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.175 8.031 -35.943 1.00 25.00 H new ATOM 468 N TYR A 31 2.603 6.920 -34.015 1.00 25.00 N ATOM 469 CA TYR A 31 2.013 6.169 -32.892 1.00 25.00 C ATOM 470 C TYR A 31 3.067 5.587 -31.947 1.00 25.00 C ATOM 471 O TYR A 31 2.954 5.705 -30.724 1.00 25.00 O ATOM 472 CB TYR A 31 1.133 5.051 -33.425 1.00 25.00 C ATOM 473 CG TYR A 31 0.696 4.069 -32.344 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.351 4.378 -31.454 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.337 2.814 -32.219 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.744 3.442 -30.440 1.00 25.00 C ATOM 477 CE2 TYR A 31 0.953 1.891 -31.207 1.00 25.00 C ATOM 478 CZ TYR A 31 -0.079 2.221 -30.330 1.00 25.00 C ATOM 479 OH TYR A 31 -0.452 1.313 -29.354 1.00 25.00 O ATOM 0 H TYR A 31 2.286 6.615 -34.935 1.00 25.00 H new ATOM 0 HA TYR A 31 1.418 6.877 -32.314 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.249 5.484 -33.893 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.673 4.510 -34.202 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.862 5.326 -31.535 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.131 2.552 -32.903 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.552 3.682 -29.764 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.458 0.940 -31.119 1.00 25.00 H new ATOM 0 HH TYR A 31 0.112 0.514 -29.417 1.00 25.00 H new ATOM 489 N GLU A 32 4.121 4.999 -32.505 1.00 25.00 N ATOM 490 CA GLU A 32 5.192 4.407 -31.708 1.00 25.00 C ATOM 491 C GLU A 32 5.879 5.459 -30.807 1.00 25.00 C ATOM 492 O GLU A 32 6.059 5.222 -29.619 1.00 25.00 O ATOM 493 CB GLU A 32 6.224 3.730 -32.635 1.00 25.00 C ATOM 494 CG GLU A 32 6.790 4.651 -33.717 1.00 25.00 C ATOM 495 CD GLU A 32 7.575 3.892 -34.750 1.00 25.00 C ATOM 496 OE1 GLU A 32 6.960 3.206 -35.595 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.821 4.015 -34.746 1.00 25.00 O ATOM 0 H GLU A 32 4.257 4.919 -33.513 1.00 25.00 H new ATOM 0 HA GLU A 32 4.751 3.655 -31.053 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.047 3.350 -32.029 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.757 2.869 -33.113 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.973 5.184 -34.203 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.431 5.402 -33.255 1.00 25.00 H new ATOM 504 N GLN A 33 6.189 6.626 -31.355 1.00 25.00 N ATOM 505 CA GLN A 33 6.865 7.665 -30.582 1.00 25.00 C ATOM 506 C GLN A 33 5.940 8.271 -29.568 1.00 25.00 C ATOM 507 O GLN A 33 6.364 8.594 -28.461 1.00 25.00 O ATOM 508 CB GLN A 33 7.383 8.757 -31.489 1.00 25.00 C ATOM 509 CG GLN A 33 8.470 8.291 -32.459 1.00 25.00 C ATOM 510 CD GLN A 33 9.751 7.868 -31.752 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.115 8.409 -30.719 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.430 6.892 -32.309 1.00 25.00 N ATOM 0 H GLN A 33 5.987 6.878 -32.322 1.00 25.00 H new ATOM 0 HA GLN A 33 7.702 7.193 -30.067 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.550 9.167 -32.061 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.779 9.567 -30.877 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.092 7.455 -33.047 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.695 9.096 -33.159 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.094 6.465 -33.172 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.293 6.561 -31.879 1.00 25.00 H new ATOM 521 N GLN A 34 4.672 8.370 -29.917 1.00 25.00 N ATOM 522 CA GLN A 34 3.686 8.839 -28.977 1.00 25.00 C ATOM 523 C GLN A 34 3.667 7.941 -27.742 1.00 25.00 C ATOM 524 O GLN A 34 3.541 8.433 -26.639 1.00 25.00 O ATOM 525 CB GLN A 34 2.306 8.863 -29.633 1.00 25.00 C ATOM 526 CG GLN A 34 2.081 10.034 -30.550 1.00 25.00 C ATOM 527 CD GLN A 34 0.735 9.956 -31.228 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.238 9.465 -30.654 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.673 10.402 -32.457 1.00 25.00 N ATOM 0 H GLN A 34 4.307 8.133 -30.839 1.00 25.00 H new ATOM 0 HA GLN A 34 3.947 9.852 -28.669 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.168 7.941 -30.198 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.545 8.875 -28.853 1.00 25.00 H new ATOM 0 HG2 GLN A 34 2.150 10.961 -29.981 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.868 10.064 -31.304 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.502 10.802 -32.897 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.204 10.350 -32.975 1.00 25.00 H new ATOM 538 N GLN A 35 3.851 6.643 -27.916 1.00 25.00 N ATOM 539 CA GLN A 35 3.775 5.703 -26.781 1.00 25.00 C ATOM 540 C GLN A 35 5.012 5.816 -25.913 1.00 25.00 C ATOM 541 O GLN A 35 4.925 5.801 -24.685 1.00 25.00 O ATOM 542 CB GLN A 35 3.580 4.255 -27.254 1.00 25.00 C ATOM 543 CG GLN A 35 2.229 3.999 -27.909 1.00 25.00 C ATOM 544 CD GLN A 35 1.076 4.185 -26.931 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.064 3.600 -25.845 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.128 5.018 -27.291 1.00 25.00 N ATOM 0 H GLN A 35 4.052 6.208 -28.816 1.00 25.00 H new ATOM 0 HA GLN A 35 2.903 5.975 -26.187 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.370 4.004 -27.962 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.692 3.586 -26.401 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.101 4.677 -28.753 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.206 2.985 -28.308 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.174 5.482 -28.198 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.655 5.201 -26.664 1.00 25.00 H new ATOM 555 N ILE A 36 6.162 5.996 -26.544 1.00 25.00 N ATOM 556 CA ILE A 36 7.420 6.196 -25.824 1.00 25.00 C ATOM 557 C ILE A 36 7.326 7.482 -24.996 1.00 25.00 C ATOM 558 O ILE A 36 7.682 7.512 -23.818 1.00 25.00 O ATOM 559 CB ILE A 36 8.597 6.296 -26.849 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.702 4.975 -27.653 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.925 6.615 -26.141 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.507 5.096 -28.939 1.00 25.00 C ATOM 0 H ILE A 36 6.255 6.008 -27.560 1.00 25.00 H new ATOM 0 HA ILE A 36 7.605 5.354 -25.157 1.00 25.00 H new ATOM 0 HB ILE A 36 8.391 7.115 -27.538 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.158 4.212 -27.021 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.697 4.629 -27.896 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.725 6.678 -26.879 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.838 7.567 -25.617 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.154 5.826 -25.425 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.534 4.130 -29.444 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.041 5.834 -29.592 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.524 5.411 -28.704 1.00 25.00 H new ATOM 574 N LEU A 37 6.757 8.516 -25.595 1.00 25.00 N ATOM 575 CA LEU A 37 6.572 9.798 -24.919 1.00 25.00 C ATOM 576 C LEU A 37 5.625 9.661 -23.724 1.00 25.00 C ATOM 577 O LEU A 37 5.954 10.102 -22.633 1.00 25.00 O ATOM 578 CB LEU A 37 6.033 10.827 -25.910 1.00 25.00 C ATOM 579 CG LEU A 37 5.750 12.242 -25.366 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.982 12.868 -24.702 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.291 13.127 -26.508 1.00 25.00 C ATOM 0 H LEU A 37 6.412 8.495 -26.555 1.00 25.00 H new ATOM 0 HA LEU A 37 7.538 10.133 -24.541 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.747 10.915 -26.729 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.108 10.436 -26.335 1.00 25.00 H new ATOM 0 HG LEU A 37 4.975 12.158 -24.604 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.731 13.863 -24.335 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.302 12.244 -23.868 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.790 12.942 -25.430 1.00 25.00 H new ATOM 0 HD21 LEU A 37 5.088 14.130 -26.132 1.00 25.00 H new ATOM 0 HD22 LEU A 37 6.071 13.175 -27.268 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.383 12.714 -26.946 1.00 25.00 H new ATOM 593 N ILE A 38 4.490 9.003 -23.909 1.00 25.00 N ATOM 594 CA ILE A 38 3.540 8.785 -22.818 1.00 25.00 C ATOM 595 C ILE A 38 4.182 8.043 -21.649 1.00 25.00 C ATOM 596 O ILE A 38 3.968 8.412 -20.500 1.00 25.00 O ATOM 597 CB ILE A 38 2.268 8.030 -23.328 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.472 8.955 -24.275 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.366 7.596 -22.153 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.548 8.219 -25.261 1.00 25.00 C ATOM 0 H ILE A 38 4.200 8.609 -24.804 1.00 25.00 H new ATOM 0 HA ILE A 38 3.233 9.765 -22.453 1.00 25.00 H new ATOM 0 HB ILE A 38 2.589 7.134 -23.859 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.871 9.638 -23.674 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.175 9.565 -24.842 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.491 7.074 -22.540 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.923 6.931 -21.493 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.046 8.476 -21.595 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.029 8.946 -25.886 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.142 7.557 -25.891 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.183 7.631 -24.705 1.00 25.00 H new ATOM 612 N ARG A 39 5.042 7.071 -21.920 1.00 25.00 N ATOM 613 CA ARG A 39 5.780 6.368 -20.855 1.00 25.00 C ATOM 614 C ARG A 39 6.615 7.370 -20.058 1.00 25.00 C ATOM 615 O ARG A 39 6.660 7.323 -18.817 1.00 25.00 O ATOM 616 CB ARG A 39 6.666 5.284 -21.475 1.00 25.00 C ATOM 617 CG ARG A 39 7.402 4.401 -20.452 1.00 25.00 C ATOM 618 CD ARG A 39 8.800 4.907 -20.190 1.00 25.00 C ATOM 619 NE ARG A 39 9.461 4.155 -19.110 1.00 25.00 N ATOM 620 CZ ARG A 39 10.373 4.662 -18.283 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.786 5.893 -18.364 1.00 25.00 N ATOM 622 NH2 ARG A 39 10.850 3.918 -17.347 1.00 25.00 N ATOM 0 H ARG A 39 5.252 6.745 -22.863 1.00 25.00 H new ATOM 0 HA ARG A 39 5.077 5.890 -20.173 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.049 4.647 -22.109 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.403 5.760 -22.122 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.841 4.379 -19.518 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.448 3.376 -20.820 1.00 25.00 H new ATOM 0 HD2 ARG A 39 9.392 4.829 -21.102 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.760 5.964 -19.925 1.00 25.00 H new ATOM 0 HE ARG A 39 9.202 3.176 -18.987 1.00 25.00 H new ATOM 0 HH11 ARG A 39 10.409 6.511 -19.082 1.00 25.00 H new ATOM 0 HH12 ARG A 39 11.487 6.240 -17.709 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.529 2.955 -17.247 1.00 25.00 H new ATOM 0 HH22 ARG A 39 11.549 4.291 -16.705 1.00 25.00 H new ATOM 636 N GLN A 40 7.262 8.286 -20.754 1.00 25.00 N ATOM 637 CA GLN A 40 8.074 9.306 -20.088 1.00 25.00 C ATOM 638 C GLN A 40 7.203 10.224 -19.237 1.00 25.00 C ATOM 639 O GLN A 40 7.539 10.529 -18.098 1.00 25.00 O ATOM 640 CB GLN A 40 8.856 10.144 -21.109 1.00 25.00 C ATOM 641 CG GLN A 40 9.879 9.332 -21.921 1.00 25.00 C ATOM 642 CD GLN A 40 10.396 10.093 -23.136 1.00 25.00 C ATOM 643 OE1 GLN A 40 11.000 9.503 -24.017 1.00 25.00 O ATOM 644 NE2 GLN A 40 10.135 11.375 -23.209 1.00 25.00 N ATOM 0 H GLN A 40 7.246 8.351 -21.772 1.00 25.00 H new ATOM 0 HA GLN A 40 8.782 8.787 -19.442 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.152 10.615 -21.795 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.376 10.947 -20.585 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.719 9.066 -21.279 1.00 25.00 H new ATOM 0 HG3 GLN A 40 9.420 8.399 -22.249 1.00 25.00 H new ATOM 0 HE21 GLN A 40 9.628 11.836 -22.454 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.439 11.912 -24.021 1.00 25.00 H new ATOM 653 N LEU A 41 6.064 10.636 -19.772 1.00 25.00 N ATOM 654 CA LEU A 41 5.159 11.545 -19.061 1.00 25.00 C ATOM 655 C LEU A 41 4.632 10.885 -17.797 1.00 25.00 C ATOM 656 O LEU A 41 4.485 11.533 -16.764 1.00 25.00 O ATOM 657 CB LEU A 41 3.960 11.940 -19.953 1.00 25.00 C ATOM 658 CG LEU A 41 4.275 12.643 -21.279 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.986 12.786 -22.080 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.937 14.010 -21.092 1.00 25.00 C ATOM 0 H LEU A 41 5.738 10.358 -20.698 1.00 25.00 H new ATOM 0 HA LEU A 41 5.725 12.440 -18.803 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.393 11.036 -20.176 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.307 12.591 -19.372 1.00 25.00 H new ATOM 0 HG LEU A 41 4.996 12.027 -21.817 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.199 13.285 -23.025 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.568 11.799 -22.277 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.268 13.377 -21.511 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.134 14.455 -22.067 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.273 14.661 -20.523 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.876 13.889 -20.552 1.00 25.00 H new ATOM 672 N GLN A 42 4.352 9.588 -17.865 1.00 25.00 N ATOM 673 CA GLN A 42 3.863 8.850 -16.709 1.00 25.00 C ATOM 674 C GLN A 42 4.951 8.716 -15.640 1.00 25.00 C ATOM 675 O GLN A 42 4.649 8.802 -14.452 1.00 25.00 O ATOM 676 CB GLN A 42 3.370 7.465 -17.142 1.00 25.00 C ATOM 677 CG GLN A 42 2.081 7.518 -17.962 1.00 25.00 C ATOM 678 CD GLN A 42 1.768 6.193 -18.628 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.607 5.316 -18.700 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.560 6.047 -19.096 1.00 25.00 N ATOM 0 H GLN A 42 4.456 9.027 -18.710 1.00 25.00 H new ATOM 0 HA GLN A 42 3.032 9.406 -16.275 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.147 6.976 -17.729 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.206 6.851 -16.257 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.252 7.801 -17.313 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.169 8.293 -18.723 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.114 6.808 -19.015 1.00 25.00 H new ATOM 0 HE22 GLN A 42 0.289 5.171 -19.543 1.00 25.00 H new ATOM 689 N GLU A 43 6.198 8.527 -16.052 1.00 25.00 N ATOM 690 CA GLU A 43 7.299 8.431 -15.083 1.00 25.00 C ATOM 691 C GLU A 43 7.523 9.779 -14.396 1.00 25.00 C ATOM 692 O GLU A 43 7.701 9.846 -13.183 1.00 25.00 O ATOM 693 CB GLU A 43 8.592 7.969 -15.767 1.00 25.00 C ATOM 694 CG GLU A 43 9.670 7.566 -14.756 1.00 25.00 C ATOM 695 CD GLU A 43 10.846 6.889 -15.413 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.529 7.520 -16.248 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.107 5.701 -15.108 1.00 25.00 O ATOM 0 H GLU A 43 6.476 8.438 -17.029 1.00 25.00 H new ATOM 0 HA GLU A 43 7.024 7.691 -14.331 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.374 7.123 -16.419 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.972 8.770 -16.401 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.015 8.452 -14.223 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.236 6.896 -14.013 1.00 25.00 H new ATOM 704 N GLN A 44 7.429 10.864 -15.149 1.00 25.00 N ATOM 705 CA GLN A 44 7.524 12.209 -14.557 1.00 25.00 C ATOM 706 C GLN A 44 6.325 12.448 -13.634 1.00 25.00 C ATOM 707 O GLN A 44 6.468 12.945 -12.516 1.00 25.00 O ATOM 708 CB GLN A 44 7.575 13.276 -15.671 1.00 25.00 C ATOM 709 CG GLN A 44 8.850 13.210 -16.534 1.00 25.00 C ATOM 710 CD GLN A 44 8.799 14.161 -17.716 1.00 25.00 C ATOM 711 OE1 GLN A 44 7.808 14.264 -18.414 1.00 25.00 O ATOM 712 NE2 GLN A 44 9.899 14.851 -17.958 1.00 25.00 N ATOM 0 H GLN A 44 7.289 10.852 -16.159 1.00 25.00 H new ATOM 0 HA GLN A 44 8.440 12.283 -13.971 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.704 13.157 -16.316 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.504 14.265 -15.218 1.00 25.00 H new ATOM 0 HG2 GLN A 44 9.716 13.448 -15.917 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.988 12.191 -16.897 1.00 25.00 H new ATOM 0 HE21 GLN A 44 10.713 14.742 -17.353 1.00 25.00 H new ATOM 0 HE22 GLN A 44 9.934 15.493 -18.750 1.00 25.00 H new ATOM 721 N HIS A 45 5.144 12.039 -14.077 1.00 25.00 N ATOM 722 CA HIS A 45 3.931 12.158 -13.264 1.00 25.00 C ATOM 723 C HIS A 45 4.031 11.346 -11.962 1.00 25.00 C ATOM 724 O HIS A 45 3.470 11.741 -10.944 1.00 25.00 O ATOM 725 CB HIS A 45 2.703 11.703 -14.059 1.00 25.00 C ATOM 726 CG HIS A 45 1.404 12.059 -13.411 1.00 25.00 C ATOM 727 ND1 HIS A 45 0.892 13.360 -13.382 1.00 25.00 N ATOM 728 CD2 HIS A 45 0.472 11.312 -12.763 1.00 25.00 C ATOM 729 CE1 HIS A 45 -0.269 13.349 -12.745 1.00 25.00 C ATOM 730 NE2 HIS A 45 -0.551 12.128 -12.382 1.00 25.00 N ATOM 0 H HIS A 45 4.995 11.621 -14.995 1.00 25.00 H new ATOM 0 HA HIS A 45 3.825 13.210 -13.000 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.738 12.150 -15.053 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.748 10.622 -14.194 1.00 25.00 H new ATOM 0 HD2 HIS A 45 0.532 10.249 -12.580 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.886 14.215 -12.556 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -1.397 11.833 -11.894 1.00 25.00 H new ATOM 738 N TYR A 46 4.773 10.249 -11.971 1.00 25.00 N ATOM 739 CA TYR A 46 4.971 9.454 -10.760 1.00 25.00 C ATOM 740 C TYR A 46 5.777 10.232 -9.726 1.00 25.00 C ATOM 741 O TYR A 46 5.532 10.136 -8.529 1.00 25.00 O ATOM 742 CB TYR A 46 5.690 8.144 -11.078 1.00 25.00 C ATOM 743 CG TYR A 46 5.736 7.205 -9.894 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.645 6.362 -9.607 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.862 7.165 -9.059 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.673 5.519 -8.468 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.899 6.313 -7.925 1.00 25.00 C ATOM 748 CZ TYR A 46 5.805 5.503 -7.623 1.00 25.00 C ATOM 749 OH TYR A 46 5.834 4.660 -6.525 1.00 25.00 O ATOM 0 H TYR A 46 5.248 9.887 -12.798 1.00 25.00 H new ATOM 0 HA TYR A 46 3.986 9.230 -10.352 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.187 7.650 -11.910 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.707 8.362 -11.404 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.783 6.358 -10.258 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.713 7.791 -9.282 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.826 4.887 -8.245 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.776 6.292 -7.295 1.00 25.00 H new ATOM 0 HH TYR A 46 6.684 4.771 -6.050 1.00 25.00 H new ATOM 759 N GLN A 47 6.723 11.042 -10.173 1.00 25.00 N ATOM 760 CA GLN A 47 7.494 11.869 -9.243 1.00 25.00 C ATOM 761 C GLN A 47 6.575 12.875 -8.557 1.00 25.00 C ATOM 762 O GLN A 47 6.670 13.088 -7.349 1.00 25.00 O ATOM 763 CB GLN A 47 8.631 12.607 -9.977 1.00 25.00 C ATOM 764 CG GLN A 47 9.654 11.684 -10.633 1.00 25.00 C ATOM 765 CD GLN A 47 10.737 12.466 -11.350 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.483 13.164 -12.303 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.932 12.371 -10.864 1.00 25.00 N ATOM 0 H GLN A 47 6.977 11.148 -11.155 1.00 25.00 H new ATOM 0 HA GLN A 47 7.939 11.217 -8.491 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.197 13.251 -10.741 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.145 13.256 -9.268 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.108 11.046 -9.874 1.00 25.00 H new ATOM 0 HG3 GLN A 47 9.150 11.027 -11.342 1.00 25.00 H new ATOM 0 HE21 GLN A 47 12.109 11.771 -10.058 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.698 12.896 -11.287 1.00 25.00 H new ATOM 776 N GLN A 48 5.650 13.458 -9.312 1.00 25.00 N ATOM 777 CA GLN A 48 4.672 14.381 -8.722 1.00 25.00 C ATOM 778 C GLN A 48 3.803 13.626 -7.696 1.00 25.00 C ATOM 779 O GLN A 48 3.534 14.125 -6.612 1.00 25.00 O ATOM 780 CB GLN A 48 3.788 14.975 -9.832 1.00 25.00 C ATOM 781 CG GLN A 48 2.864 16.108 -9.383 1.00 25.00 C ATOM 782 CD GLN A 48 1.889 16.518 -10.477 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.254 16.642 -11.634 1.00 25.00 O ATOM 784 NE2 GLN A 48 0.642 16.665 -10.118 1.00 25.00 N ATOM 0 H GLN A 48 5.552 13.315 -10.317 1.00 25.00 H new ATOM 0 HA GLN A 48 5.195 15.192 -8.215 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.432 15.345 -10.630 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.180 14.177 -10.258 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.307 15.793 -8.501 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.464 16.970 -9.090 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.376 16.553 -9.140 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -0.066 16.892 -10.816 1.00 25.00 H new ATOM 793 N TYR A 49 3.392 12.413 -8.042 1.00 25.00 N ATOM 794 CA TYR A 49 2.567 11.601 -7.162 1.00 25.00 C ATOM 795 C TYR A 49 3.317 11.281 -5.861 1.00 25.00 C ATOM 796 O TYR A 49 2.746 11.309 -4.775 1.00 25.00 O ATOM 797 CB TYR A 49 2.156 10.310 -7.889 1.00 25.00 C ATOM 798 CG TYR A 49 0.920 9.659 -7.317 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.359 10.190 -7.561 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.015 8.487 -6.537 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.531 9.576 -7.037 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.153 7.863 -6.009 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.407 8.427 -6.277 1.00 25.00 C ATOM 804 OH TYR A 49 -2.535 7.841 -5.756 1.00 25.00 O ATOM 0 H TYR A 49 3.619 11.969 -8.932 1.00 25.00 H new ATOM 0 HA TYR A 49 1.668 12.159 -6.899 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.983 10.535 -8.941 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.982 9.601 -7.846 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.454 11.084 -8.160 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.985 8.057 -6.337 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.505 10.002 -7.230 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.072 6.968 -5.411 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.283 7.042 -5.247 1.00 25.00 H new ATOM 814 N MET A 50 4.617 11.009 -5.948 1.00 25.00 N ATOM 815 CA MET A 50 5.416 10.714 -4.764 1.00 25.00 C ATOM 816 C MET A 50 5.575 11.950 -3.881 1.00 25.00 C ATOM 817 O MET A 50 5.510 11.847 -2.656 1.00 25.00 O ATOM 818 CB MET A 50 6.797 10.198 -5.183 1.00 25.00 C ATOM 819 CG MET A 50 7.458 9.339 -4.116 1.00 25.00 C ATOM 820 SD MET A 50 7.274 7.571 -4.472 1.00 25.00 S ATOM 821 CE MET A 50 5.483 7.308 -4.406 1.00 25.00 C ATOM 0 H MET A 50 5.138 10.987 -6.825 1.00 25.00 H new ATOM 0 HA MET A 50 4.897 9.948 -4.188 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.699 9.617 -6.100 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.442 11.046 -5.410 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.517 9.589 -4.051 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.018 9.563 -3.144 1.00 25.00 H new ATOM 0 HE1 MET A 50 5.264 6.254 -4.574 1.00 25.00 H new ATOM 0 HE2 MET A 50 5.107 7.605 -3.427 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.999 7.907 -5.177 1.00 25.00 H new ATOM 831 N GLN A 51 5.772 13.113 -4.499 1.00 25.00 N ATOM 832 CA GLN A 51 5.917 14.346 -3.740 1.00 25.00 C ATOM 833 C GLN A 51 4.613 14.664 -3.015 1.00 25.00 C ATOM 834 O GLN A 51 4.618 15.130 -1.879 1.00 25.00 O ATOM 835 CB GLN A 51 6.319 15.482 -4.680 1.00 25.00 C ATOM 836 CG GLN A 51 6.765 16.736 -3.966 1.00 25.00 C ATOM 837 CD GLN A 51 7.196 17.805 -4.930 1.00 25.00 C ATOM 838 OE1 GLN A 51 6.473 18.170 -5.835 1.00 25.00 O ATOM 839 NE2 GLN A 51 8.383 18.325 -4.726 1.00 25.00 N ATOM 0 H GLN A 51 5.834 13.224 -5.511 1.00 25.00 H new ATOM 0 HA GLN A 51 6.700 14.228 -2.991 1.00 25.00 H new ATOM 0 HB2 GLN A 51 7.126 15.137 -5.327 1.00 25.00 H new ATOM 0 HB3 GLN A 51 5.474 15.723 -5.325 1.00 25.00 H new ATOM 0 HG2 GLN A 51 5.950 17.112 -3.348 1.00 25.00 H new ATOM 0 HG3 GLN A 51 7.590 16.498 -3.295 1.00 25.00 H new ATOM 0 HE21 GLN A 51 8.960 17.991 -3.954 1.00 25.00 H new ATOM 0 HE22 GLN A 51 8.728 19.063 -5.339 1.00 25.00 H new ATOM 848 N GLN A 52 3.497 14.378 -3.663 1.00 25.00 N ATOM 849 CA GLN A 52 2.189 14.562 -3.036 1.00 25.00 C ATOM 850 C GLN A 52 2.031 13.601 -1.850 1.00 25.00 C ATOM 851 O GLN A 52 1.585 14.002 -0.775 1.00 25.00 O ATOM 852 CB GLN A 52 1.082 14.320 -4.071 1.00 25.00 C ATOM 853 CG GLN A 52 -0.312 14.621 -3.559 1.00 25.00 C ATOM 854 CD GLN A 52 -1.340 14.523 -4.654 1.00 25.00 C ATOM 855 OE1 GLN A 52 -1.293 13.641 -5.496 1.00 25.00 O ATOM 856 NE2 GLN A 52 -2.276 15.447 -4.659 1.00 25.00 N ATOM 0 H GLN A 52 3.464 14.019 -4.617 1.00 25.00 H new ATOM 0 HA GLN A 52 2.110 15.584 -2.665 1.00 25.00 H new ATOM 0 HB2 GLN A 52 1.277 14.936 -4.949 1.00 25.00 H new ATOM 0 HB3 GLN A 52 1.123 13.280 -4.396 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -0.564 13.924 -2.759 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -0.333 15.622 -3.128 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -2.284 16.169 -3.939 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -2.994 15.441 -5.383 1.00 25.00 H new ATOM 865 N LEU A 53 2.437 12.344 -2.029 1.00 25.00 N ATOM 866 CA LEU A 53 2.337 11.337 -0.970 1.00 25.00 C ATOM 867 C LEU A 53 3.215 11.668 0.231 1.00 25.00 C ATOM 868 O LEU A 53 2.878 11.346 1.361 1.00 25.00 O ATOM 869 CB LEU A 53 2.736 9.973 -1.520 1.00 25.00 C ATOM 870 CG LEU A 53 1.647 9.243 -2.315 1.00 25.00 C ATOM 871 CD1 LEU A 53 2.266 8.087 -3.077 1.00 25.00 C ATOM 872 CD2 LEU A 53 0.537 8.718 -1.402 1.00 25.00 C ATOM 0 H LEU A 53 2.839 11.997 -2.900 1.00 25.00 H new ATOM 0 HA LEU A 53 1.301 11.326 -0.632 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.608 10.099 -2.162 1.00 25.00 H new ATOM 0 HB3 LEU A 53 3.042 9.339 -0.688 1.00 25.00 H new ATOM 0 HG LEU A 53 1.202 9.956 -3.009 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.492 7.568 -3.642 1.00 25.00 H new ATOM 0 HD12 LEU A 53 3.023 8.467 -3.763 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.728 7.394 -2.374 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.216 8.207 -2.002 1.00 25.00 H new ATOM 0 HD22 LEU A 53 0.960 8.020 -0.679 1.00 25.00 H new ATOM 0 HD23 LEU A 53 0.075 9.552 -0.874 1.00 25.00 H new ATOM 884 N TYR A 54 4.313 12.369 0.000 1.00 25.00 N ATOM 885 CA TYR A 54 5.167 12.814 1.087 1.00 25.00 C ATOM 886 C TYR A 54 4.427 13.824 1.979 1.00 25.00 C ATOM 887 O TYR A 54 4.561 13.798 3.212 1.00 25.00 O ATOM 888 CB TYR A 54 6.444 13.421 0.508 1.00 25.00 C ATOM 889 CG TYR A 54 6.967 14.607 1.268 1.00 25.00 C ATOM 890 CD1 TYR A 54 7.771 14.447 2.419 1.00 25.00 C ATOM 891 CD2 TYR A 54 6.676 15.905 0.816 1.00 25.00 C ATOM 892 CE1 TYR A 54 8.270 15.574 3.108 1.00 25.00 C ATOM 893 CE2 TYR A 54 7.160 17.035 1.509 1.00 25.00 C ATOM 894 CZ TYR A 54 7.956 16.857 2.639 1.00 25.00 C ATOM 895 OH TYR A 54 8.440 17.943 3.320 1.00 25.00 O ATOM 0 H TYR A 54 4.633 12.641 -0.929 1.00 25.00 H new ATOM 0 HA TYR A 54 5.433 11.961 1.711 1.00 25.00 H new ATOM 0 HB2 TYR A 54 7.217 12.653 0.480 1.00 25.00 H new ATOM 0 HB3 TYR A 54 6.255 13.720 -0.523 1.00 25.00 H new ATOM 0 HD1 TYR A 54 8.006 13.455 2.775 1.00 25.00 H new ATOM 0 HD2 TYR A 54 6.075 16.039 -0.071 1.00 25.00 H new ATOM 0 HE1 TYR A 54 8.886 15.449 3.986 1.00 25.00 H new ATOM 0 HE2 TYR A 54 6.916 18.030 1.166 1.00 25.00 H new ATOM 0 HH TYR A 54 8.142 18.766 2.878 1.00 25.00 H new ATOM 905 N GLN A 55 3.609 14.676 1.373 1.00 25.00 N ATOM 906 CA GLN A 55 2.840 15.662 2.157 1.00 25.00 C ATOM 907 C GLN A 55 1.738 14.965 2.928 1.00 25.00 C ATOM 908 O GLN A 55 1.437 15.313 4.049 1.00 25.00 O ATOM 909 CB GLN A 55 2.238 16.709 1.220 1.00 25.00 C ATOM 910 CG GLN A 55 3.293 17.462 0.439 1.00 25.00 C ATOM 911 CD GLN A 55 2.704 18.422 -0.547 1.00 25.00 C ATOM 912 OE1 GLN A 55 1.523 18.712 -0.533 1.00 25.00 O ATOM 913 NE2 GLN A 55 3.528 18.910 -1.432 1.00 25.00 N ATOM 0 H GLN A 55 3.456 14.713 0.365 1.00 25.00 H new ATOM 0 HA GLN A 55 3.508 16.155 2.864 1.00 25.00 H new ATOM 0 HB2 GLN A 55 1.556 16.220 0.525 1.00 25.00 H new ATOM 0 HB3 GLN A 55 1.647 17.416 1.802 1.00 25.00 H new ATOM 0 HG2 GLN A 55 3.933 18.007 1.133 1.00 25.00 H new ATOM 0 HG3 GLN A 55 3.927 16.749 -0.088 1.00 25.00 H new ATOM 0 HE21 GLN A 55 4.513 18.644 -1.413 1.00 25.00 H new ATOM 0 HE22 GLN A 55 3.188 19.558 -2.143 1.00 25.00 H new ATOM 922 N VAL A 56 1.167 13.938 2.314 1.00 25.00 N ATOM 923 CA VAL A 56 0.138 13.116 2.967 1.00 25.00 C ATOM 924 C VAL A 56 0.737 12.351 4.158 1.00 25.00 C ATOM 925 O VAL A 56 0.128 12.268 5.224 1.00 25.00 O ATOM 926 CB VAL A 56 -0.513 12.123 1.959 1.00 25.00 C ATOM 927 CG1 VAL A 56 -1.536 11.212 2.647 1.00 25.00 C ATOM 928 CG2 VAL A 56 -1.211 12.904 0.827 1.00 25.00 C ATOM 0 H VAL A 56 1.394 13.648 1.363 1.00 25.00 H new ATOM 0 HA VAL A 56 -0.641 13.784 3.334 1.00 25.00 H new ATOM 0 HB VAL A 56 0.282 11.500 1.549 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -1.970 10.533 1.913 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -1.042 10.635 3.428 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -2.325 11.820 3.089 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -1.664 12.202 0.126 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -1.985 13.544 1.250 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -0.478 13.518 0.303 1.00 25.00 H new ATOM 938 N GLN A 57 1.952 11.858 3.994 1.00 25.00 N ATOM 939 CA GLN A 57 2.685 11.207 5.075 1.00 25.00 C ATOM 940 C GLN A 57 2.842 12.161 6.246 1.00 25.00 C ATOM 941 O GLN A 57 2.531 11.821 7.377 1.00 25.00 O ATOM 942 CB GLN A 57 4.069 10.779 4.593 1.00 25.00 C ATOM 943 CG GLN A 57 4.142 9.407 3.945 1.00 25.00 C ATOM 944 CD GLN A 57 4.628 8.351 4.903 1.00 25.00 C ATOM 945 OE1 GLN A 57 3.879 7.820 5.699 1.00 25.00 O ATOM 946 NE2 GLN A 57 5.911 8.053 4.848 1.00 25.00 N ATOM 0 H GLN A 57 2.461 11.896 3.111 1.00 25.00 H new ATOM 0 HA GLN A 57 2.123 10.328 5.391 1.00 25.00 H new ATOM 0 HB2 GLN A 57 4.430 11.519 3.878 1.00 25.00 H new ATOM 0 HB3 GLN A 57 4.752 10.797 5.443 1.00 25.00 H new ATOM 0 HG2 GLN A 57 3.156 9.130 3.572 1.00 25.00 H new ATOM 0 HG3 GLN A 57 4.809 9.449 3.084 1.00 25.00 H new ATOM 0 HE21 GLN A 57 6.514 8.517 4.168 1.00 25.00 H new ATOM 0 HE22 GLN A 57 6.301 7.359 5.485 1.00 25.00 H new ATOM 955 N LEU A 58 3.288 13.376 5.975 1.00 25.00 N ATOM 956 CA LEU A 58 3.500 14.358 7.036 1.00 25.00 C ATOM 957 C LEU A 58 2.205 14.706 7.751 1.00 25.00 C ATOM 958 O LEU A 58 2.185 14.854 8.971 1.00 25.00 O ATOM 959 CB LEU A 58 4.104 15.659 6.486 1.00 25.00 C ATOM 960 CG LEU A 58 5.566 15.641 6.011 1.00 25.00 C ATOM 961 CD1 LEU A 58 5.864 17.053 5.529 1.00 25.00 C ATOM 962 CD2 LEU A 58 6.539 15.228 7.137 1.00 25.00 C ATOM 0 H LEU A 58 3.510 13.709 5.037 1.00 25.00 H new ATOM 0 HA LEU A 58 4.192 13.895 7.739 1.00 25.00 H new ATOM 0 HB2 LEU A 58 3.487 15.984 5.649 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.016 16.420 7.261 1.00 25.00 H new ATOM 0 HG LEU A 58 5.703 14.904 5.220 1.00 25.00 H new ATOM 0 HD11 LEU A 58 6.894 17.107 5.176 1.00 25.00 H new ATOM 0 HD12 LEU A 58 5.187 17.310 4.714 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.725 17.755 6.351 1.00 25.00 H new ATOM 0 HD21 LEU A 58 7.560 15.230 6.755 1.00 25.00 H new ATOM 0 HD22 LEU A 58 6.460 15.934 7.963 1.00 25.00 H new ATOM 0 HD23 LEU A 58 6.285 14.228 7.489 1.00 25.00 H new ATOM 974 N ALA A 59 1.119 14.800 6.993 1.00 25.00 N ATOM 975 CA ALA A 59 -0.188 15.121 7.549 1.00 25.00 C ATOM 976 C ALA A 59 -0.613 14.079 8.587 1.00 25.00 C ATOM 977 O ALA A 59 -1.143 14.413 9.635 1.00 25.00 O ATOM 978 CB ALA A 59 -1.217 15.190 6.426 1.00 25.00 C ATOM 0 H ALA A 59 1.120 14.657 5.983 1.00 25.00 H new ATOM 0 HA ALA A 59 -0.126 16.089 8.047 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -2.195 15.430 6.843 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -0.927 15.962 5.713 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -1.266 14.227 5.918 1.00 25.00 H new ATOM 984 N GLN A 60 -0.353 12.816 8.294 1.00 25.00 N ATOM 985 CA GLN A 60 -0.681 11.767 9.229 1.00 25.00 C ATOM 986 C GLN A 60 0.310 11.742 10.399 1.00 25.00 C ATOM 987 O GLN A 60 -0.082 11.524 11.533 1.00 25.00 O ATOM 988 CB GLN A 60 -0.728 10.386 8.549 1.00 25.00 C ATOM 989 CG GLN A 60 -1.828 10.263 7.508 1.00 25.00 C ATOM 990 CD GLN A 60 -2.010 8.840 7.017 1.00 25.00 C ATOM 991 OE1 GLN A 60 -2.359 7.950 7.761 1.00 25.00 O ATOM 992 NE2 GLN A 60 -1.737 8.618 5.770 1.00 25.00 N ATOM 0 H GLN A 60 0.079 12.500 7.426 1.00 25.00 H new ATOM 0 HA GLN A 60 -1.677 11.987 9.615 1.00 25.00 H new ATOM 0 HB2 GLN A 60 0.234 10.190 8.075 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -0.871 9.619 9.310 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -2.766 10.620 7.933 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -1.596 10.909 6.661 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -1.445 9.387 5.167 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -1.814 7.674 5.391 1.00 25.00 H new ATOM 1001 N GLN A 61 1.581 11.993 10.114 1.00 25.00 N ATOM 1002 CA GLN A 61 2.613 11.989 11.150 1.00 25.00 C ATOM 1003 C GLN A 61 2.342 13.056 12.207 1.00 25.00 C ATOM 1004 O GLN A 61 2.437 12.778 13.398 1.00 25.00 O ATOM 1005 CB GLN A 61 3.994 12.251 10.551 1.00 25.00 C ATOM 1006 CG GLN A 61 4.540 11.140 9.633 1.00 25.00 C ATOM 1007 CD GLN A 61 5.641 10.303 10.297 1.00 25.00 C ATOM 1008 OE1 GLN A 61 5.408 9.201 10.742 1.00 25.00 O ATOM 1009 NE2 GLN A 61 6.834 10.837 10.365 1.00 25.00 N ATOM 0 H GLN A 61 1.925 12.202 9.177 1.00 25.00 H new ATOM 0 HA GLN A 61 2.590 11.002 11.611 1.00 25.00 H new ATOM 0 HB2 GLN A 61 3.954 13.181 9.983 1.00 25.00 H new ATOM 0 HB3 GLN A 61 4.701 12.405 11.366 1.00 25.00 H new ATOM 0 HG2 GLN A 61 3.721 10.484 9.338 1.00 25.00 H new ATOM 0 HG3 GLN A 61 4.933 11.590 8.721 1.00 25.00 H new ATOM 0 HE21 GLN A 61 6.999 11.767 9.981 1.00 25.00 H new ATOM 0 HE22 GLN A 61 7.599 10.323 10.802 1.00 25.00 H new ATOM 1018 N GLN A 62 1.977 14.273 11.801 1.00 25.00 N ATOM 1019 CA GLN A 62 1.693 15.323 12.781 1.00 25.00 C ATOM 1020 C GLN A 62 0.453 14.995 13.602 1.00 25.00 C ATOM 1021 O GLN A 62 0.373 15.386 14.756 1.00 25.00 O ATOM 1022 CB GLN A 62 1.572 16.705 12.118 1.00 25.00 C ATOM 1023 CG GLN A 62 0.377 16.870 11.205 1.00 25.00 C ATOM 1024 CD GLN A 62 0.257 18.291 10.689 1.00 25.00 C ATOM 1025 OE1 GLN A 62 0.950 18.696 9.781 1.00 25.00 O ATOM 1026 NE2 GLN A 62 -0.611 19.062 11.296 1.00 25.00 N ATOM 0 H GLN A 62 1.873 14.552 10.826 1.00 25.00 H new ATOM 0 HA GLN A 62 2.542 15.364 13.463 1.00 25.00 H new ATOM 0 HB2 GLN A 62 1.522 17.464 12.899 1.00 25.00 H new ATOM 0 HB3 GLN A 62 2.479 16.898 11.544 1.00 25.00 H new ATOM 0 HG2 GLN A 62 0.465 16.183 10.363 1.00 25.00 H new ATOM 0 HG3 GLN A 62 -0.532 16.600 11.743 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -1.179 18.690 12.057 1.00 25.00 H new ATOM 0 HE22 GLN A 62 -0.719 20.034 11.008 1.00 25.00 H new ATOM 1035 N ALA A 63 -0.503 14.279 13.023 1.00 25.00 N ATOM 1036 CA ALA A 63 -1.695 13.898 13.769 1.00 25.00 C ATOM 1037 C ALA A 63 -1.346 12.820 14.816 1.00 25.00 C ATOM 1038 O ALA A 63 -1.850 12.841 15.928 1.00 25.00 O ATOM 1039 CB ALA A 63 -2.763 13.381 12.810 1.00 25.00 C ATOM 0 H ALA A 63 -0.478 13.955 12.056 1.00 25.00 H new ATOM 0 HA ALA A 63 -2.083 14.773 14.290 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -3.652 13.098 13.374 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -3.020 14.163 12.096 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -2.381 12.512 12.274 1.00 25.00 H new ATOM 1045 N ALA A 64 -0.472 11.887 14.445 1.00 25.00 N ATOM 1046 CA ALA A 64 -0.093 10.804 15.334 1.00 25.00 C ATOM 1047 C ALA A 64 0.766 11.339 16.484 1.00 25.00 C ATOM 1048 O ALA A 64 0.653 10.900 17.616 1.00 25.00 O ATOM 1049 CB ALA A 64 0.691 9.727 14.553 1.00 25.00 C ATOM 0 H ALA A 64 -0.016 11.864 13.533 1.00 25.00 H new ATOM 0 HA ALA A 64 -0.998 10.358 15.746 1.00 25.00 H new ATOM 0 HB1 ALA A 64 0.971 8.919 15.229 1.00 25.00 H new ATOM 0 HB2 ALA A 64 0.066 9.331 13.753 1.00 25.00 H new ATOM 0 HB3 ALA A 64 1.590 10.170 14.125 1.00 25.00 H new ATOM 1055 N LEU A 65 1.615 12.308 16.182 1.00 25.00 N ATOM 1056 CA LEU A 65 2.491 12.904 17.187 1.00 25.00 C ATOM 1057 C LEU A 65 1.749 13.925 18.052 1.00 25.00 C ATOM 1058 O LEU A 65 2.032 14.033 19.230 1.00 25.00 O ATOM 1059 CB LEU A 65 3.675 13.600 16.491 1.00 25.00 C ATOM 1060 CG LEU A 65 4.644 12.634 15.789 1.00 25.00 C ATOM 1061 CD1 LEU A 65 5.540 13.447 14.850 1.00 25.00 C ATOM 1062 CD2 LEU A 65 5.477 11.856 16.781 1.00 25.00 C ATOM 0 H LEU A 65 1.719 12.702 15.247 1.00 25.00 H new ATOM 0 HA LEU A 65 2.847 12.103 17.835 1.00 25.00 H new ATOM 0 HB2 LEU A 65 3.287 14.307 15.757 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.228 14.180 17.230 1.00 25.00 H new ATOM 0 HG LEU A 65 4.069 11.902 15.221 1.00 25.00 H new ATOM 0 HD11 LEU A 65 6.235 12.779 14.342 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.923 13.959 14.111 1.00 25.00 H new ATOM 0 HD13 LEU A 65 6.100 14.183 15.428 1.00 25.00 H new ATOM 0 HD21 LEU A 65 6.148 11.185 16.245 1.00 25.00 H new ATOM 0 HD22 LEU A 65 6.063 12.548 17.386 1.00 25.00 H new ATOM 0 HD23 LEU A 65 4.822 11.273 17.428 1.00 25.00 H new ATOM 1074 N GLN A 66 0.834 14.674 17.438 1.00 25.00 N ATOM 1075 CA GLN A 66 0.029 15.754 18.072 1.00 25.00 C ATOM 1076 C GLN A 66 0.745 16.601 19.160 1.00 25.00 C ATOM 1077 O GLN A 66 0.159 17.014 20.151 1.00 25.00 O ATOM 1078 CB GLN A 66 -1.333 15.221 18.547 1.00 25.00 C ATOM 1079 CG GLN A 66 -1.292 14.077 19.555 1.00 25.00 C ATOM 1080 CD GLN A 66 -2.663 13.542 19.840 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -3.490 14.212 20.421 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -2.922 12.339 19.404 1.00 25.00 N ATOM 0 H GLN A 66 0.614 14.553 16.449 1.00 25.00 H new ATOM 0 HA GLN A 66 -0.130 16.477 17.272 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -1.890 16.048 18.989 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -1.895 14.889 17.674 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -0.661 13.276 19.171 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -0.837 14.425 20.482 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -2.200 11.806 18.919 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -3.846 11.932 19.548 1.00 25.00 H new ATOM 1091 N LYS A 67 2.024 16.871 18.918 1.00 25.00 N ATOM 1092 CA LYS A 67 2.867 17.637 19.855 1.00 25.00 C ATOM 1093 C LYS A 67 2.681 19.143 19.719 1.00 25.00 C ATOM 1094 O LYS A 67 3.330 19.922 20.387 1.00 25.00 O ATOM 1095 CB LYS A 67 4.331 17.244 19.671 1.00 25.00 C ATOM 1096 CG LYS A 67 4.867 17.470 18.258 1.00 25.00 C ATOM 1097 CD LYS A 67 6.367 17.229 18.159 1.00 25.00 C ATOM 1098 CE LYS A 67 6.730 15.737 18.274 1.00 25.00 C ATOM 1099 NZ LYS A 67 8.219 15.544 18.250 1.00 25.00 N ATOM 0 H LYS A 67 2.512 16.571 18.074 1.00 25.00 H new ATOM 0 HA LYS A 67 2.550 17.384 20.867 1.00 25.00 H new ATOM 0 HB2 LYS A 67 4.939 17.813 20.374 1.00 25.00 H new ATOM 0 HB3 LYS A 67 4.448 16.191 19.928 1.00 25.00 H new ATOM 0 HG2 LYS A 67 4.349 16.806 17.566 1.00 25.00 H new ATOM 0 HG3 LYS A 67 4.645 18.491 17.947 1.00 25.00 H new ATOM 0 HD2 LYS A 67 6.733 17.617 17.208 1.00 25.00 H new ATOM 0 HD3 LYS A 67 6.875 17.786 18.947 1.00 25.00 H new ATOM 0 HE2 LYS A 67 6.321 15.330 19.199 1.00 25.00 H new ATOM 0 HE3 LYS A 67 6.274 15.183 17.453 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 8.439 14.531 18.329 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 8.603 15.913 17.357 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 8.648 16.054 19.048 1.00 25.00 H new ATOM 1113 N GLN A 68 1.786 19.555 18.844 1.00 25.00 N ATOM 1114 CA GLN A 68 1.495 20.986 18.645 1.00 25.00 C ATOM 1115 C GLN A 68 0.227 21.362 19.401 1.00 25.00 C ATOM 1116 O GLN A 68 -0.720 21.906 18.836 1.00 25.00 O ATOM 1117 CB GLN A 68 1.338 21.309 17.140 1.00 25.00 C ATOM 1118 CG GLN A 68 2.567 20.988 16.270 1.00 25.00 C ATOM 1119 CD GLN A 68 3.850 21.590 16.803 1.00 25.00 C ATOM 1120 OE1 GLN A 68 4.802 20.879 17.064 1.00 25.00 O ATOM 1121 NE2 GLN A 68 3.873 22.886 16.986 1.00 25.00 N ATOM 0 H GLN A 68 1.240 18.929 18.252 1.00 25.00 H new ATOM 0 HA GLN A 68 2.330 21.570 19.032 1.00 25.00 H new ATOM 0 HB2 GLN A 68 0.483 20.754 16.753 1.00 25.00 H new ATOM 0 HB3 GLN A 68 1.104 22.368 17.034 1.00 25.00 H new ATOM 0 HG2 GLN A 68 2.682 19.906 16.201 1.00 25.00 H new ATOM 0 HG3 GLN A 68 2.394 21.355 15.259 1.00 25.00 H new ATOM 0 HE21 GLN A 68 3.054 23.448 16.755 1.00 25.00 H new ATOM 0 HE22 GLN A 68 4.710 23.334 17.360 1.00 25.00 H new ATOM 1130 N GLN A 69 0.220 21.032 20.674 1.00 25.00 N ATOM 1131 CA GLN A 69 -0.908 21.284 21.567 1.00 25.00 C ATOM 1132 C GLN A 69 -1.170 22.768 21.768 1.00 25.00 C ATOM 1133 O GLN A 69 -2.274 23.261 21.741 1.00 25.00 O ATOM 1134 CB GLN A 69 -0.663 20.545 22.893 1.00 25.00 C ATOM 1135 CG GLN A 69 -1.827 20.710 23.892 1.00 25.00 C ATOM 1136 CD GLN A 69 -1.635 21.921 24.776 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -0.621 22.165 25.379 1.00 25.00 O ATOM 1138 NE2 GLN A 69 -2.669 22.729 24.880 1.00 25.00 N ATOM 1139 OXT GLN A 69 -0.133 23.488 22.022 1.00 25.00 O ATOM 0 H GLN A 69 1.007 20.573 21.133 1.00 25.00 H new ATOM 0 HA GLN A 69 -1.818 20.897 21.108 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -0.511 19.485 22.690 1.00 25.00 H new ATOM 0 HB3 GLN A 69 0.255 20.917 23.347 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -2.766 20.803 23.346 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -1.906 19.816 24.511 1.00 25.00 H new ATOM 0 HE21 GLN A 69 -3.529 22.525 24.371 1.00 25.00 H new ATOM 0 HE22 GLN A 69 -2.610 23.559 25.470 1.00 25.00 H new TER 1149 GLN A 69