USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 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 62 GLN : amide:sc= -0.0281 K(o=-0.028,f=-0.54) USER MOD Set 1.2: A 68 GLN : amide:sc= 0 X(o=-0.028,f=-0.22) USER MOD Set 2.1: A 51 GLN : amide:sc= -0.724 X(o=-0.45,f=-0.34) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.274 X(o=-0.45,f=-0.34) USER MOD Set 3.1: A 46 TYR OH : rot -125:sc= 0.584 USER MOD Set 3.2: A 50 MET CE :methyl -176:sc= -0.362 (180deg=-0.397) USER MOD Set 4.1: A 40 GLN : amide:sc=-0.00454 K(o=-0.025,f=-0.58) USER MOD Set 4.2: A 44 GLN : amide:sc= -0.0205 X(o=-0.025,f=-0.025) USER MOD Set 5.1: A 15 THR OG1 : rot -72:sc= 0.837 USER MOD Set 5.2: A 42 GLN : amide:sc= 0.517 K(o=1.4,f=-0.021) USER MOD Set 6.1: A 3 GLN : amide:sc= 0.68 K(o=1.4,f=-0.25) USER MOD Set 6.2: A 6 GLN : amide:sc= 0.748 K(o=1.4,f=-0.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.028 (180deg=-0.197) USER MOD Single : A 2 GLN : amide:sc= -1.45 K(o=-1.5,f=-2.6) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc=0.000129 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 8 MET CE :methyl -139:sc= 0 (180deg=-0.0191) USER MOD Single : A 12 ASN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 26 GLN : amide:sc=-0.00039 X(o=-0.00039,f=-0.00037) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= 0.766 K(o=0.77,f=-0.77) USER MOD Single : A 35 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.051) USER MOD Single : A 45 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.012) USER MOD Single : A 47 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.47) USER MOD Single : A 48 GLN : amide:sc=-7.05e-05 X(o=-7e-05,f=-0.044) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 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 66 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.142 (180deg=-0.597) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.944 0.132 0.941 1.00 25.00 N ATOM 2 CA MET A 1 4.368 0.353 1.264 1.00 25.00 C ATOM 3 C MET A 1 5.350 -0.323 0.286 1.00 25.00 C ATOM 4 O MET A 1 6.392 0.158 -0.126 1.00 25.00 O ATOM 5 CB MET A 1 4.664 -0.250 2.665 1.00 25.00 C ATOM 6 CG MET A 1 5.973 0.369 3.269 1.00 25.00 C ATOM 7 SD MET A 1 5.884 2.200 3.420 1.00 25.00 S ATOM 8 CE MET A 1 4.806 2.525 4.859 1.00 25.00 C ATOM 0 H1 MET A 1 2.356 0.785 1.498 1.00 25.00 H new ATOM 0 H2 MET A 1 2.787 0.304 -0.073 1.00 25.00 H new ATOM 0 H3 MET A 1 2.684 -0.849 1.170 1.00 25.00 H new ATOM 0 HA MET A 1 4.519 1.431 1.210 1.00 25.00 H new ATOM 0 HB2 MET A 1 3.824 -0.060 3.333 1.00 25.00 H new ATOM 0 HB3 MET A 1 4.770 -1.332 2.586 1.00 25.00 H new ATOM 0 HG2 MET A 1 6.156 -0.065 4.252 1.00 25.00 H new ATOM 0 HG3 MET A 1 6.822 0.101 2.640 1.00 25.00 H new ATOM 0 HE1 MET A 1 4.710 3.601 5.006 1.00 25.00 H new ATOM 0 HE2 MET A 1 3.821 2.094 4.681 1.00 25.00 H new ATOM 0 HE3 MET A 1 5.243 2.075 5.750 1.00 25.00 H new ATOM 19 N GLN A 2 4.884 -1.517 -0.148 1.00 25.00 N ATOM 20 CA GLN A 2 5.666 -2.330 -1.094 1.00 25.00 C ATOM 21 C GLN A 2 5.128 -2.262 -2.524 1.00 25.00 C ATOM 22 O GLN A 2 5.898 -2.305 -3.491 1.00 25.00 O ATOM 23 CB GLN A 2 5.664 -3.750 -0.603 1.00 25.00 C ATOM 24 CG GLN A 2 6.655 -4.677 -1.325 1.00 25.00 C ATOM 25 CD GLN A 2 6.197 -5.102 -2.719 1.00 25.00 C ATOM 26 OE1 GLN A 2 5.012 -5.244 -2.976 1.00 25.00 O ATOM 27 NE2 GLN A 2 7.145 -5.452 -3.564 1.00 25.00 N ATOM 0 H GLN A 2 3.994 -1.926 0.135 1.00 25.00 H new ATOM 0 HA GLN A 2 6.679 -1.931 -1.133 1.00 25.00 H new ATOM 0 HB2 GLN A 2 5.894 -3.753 0.462 1.00 25.00 H new ATOM 0 HB3 GLN A 2 4.659 -4.157 -0.713 1.00 25.00 H new ATOM 0 HG2 GLN A 2 7.617 -4.172 -1.407 1.00 25.00 H new ATOM 0 HG3 GLN A 2 6.814 -5.568 -0.717 1.00 25.00 H new ATOM 0 HE21 GLN A 2 8.125 -5.318 -3.315 1.00 25.00 H new ATOM 0 HE22 GLN A 2 6.899 -5.857 -4.467 1.00 25.00 H new ATOM 36 N GLN A 3 3.821 -2.199 -2.661 1.00 25.00 N ATOM 37 CA GLN A 3 3.229 -2.216 -3.967 1.00 25.00 C ATOM 38 C GLN A 3 3.384 -0.853 -4.622 1.00 25.00 C ATOM 39 O GLN A 3 2.891 0.146 -4.090 1.00 25.00 O ATOM 40 CB GLN A 3 1.777 -2.597 -3.895 1.00 25.00 C ATOM 41 CG GLN A 3 1.459 -4.027 -3.386 1.00 25.00 C ATOM 42 CD GLN A 3 -0.016 -4.298 -3.388 1.00 25.00 C ATOM 43 OE1 GLN A 3 -0.505 -5.032 -4.188 1.00 25.00 O ATOM 44 NE2 GLN A 3 -0.739 -3.699 -2.490 1.00 25.00 N ATOM 0 H GLN A 3 3.159 -2.136 -1.887 1.00 25.00 H new ATOM 0 HA GLN A 3 3.744 -2.964 -4.570 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.269 -1.884 -3.246 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.346 -2.486 -4.890 1.00 25.00 H new ATOM 0 HG2 GLN A 3 1.965 -4.759 -4.016 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.851 -4.150 -2.376 1.00 25.00 H new ATOM 0 HE21 GLN A 3 -0.299 -3.074 -1.814 1.00 25.00 H new ATOM 0 HE22 GLN A 3 -1.747 -3.853 -2.461 1.00 25.00 H new ATOM 53 N LYS A 4 4.119 -0.801 -5.739 1.00 25.00 N ATOM 54 CA LYS A 4 4.379 0.453 -6.459 1.00 25.00 C ATOM 55 C LYS A 4 3.789 0.483 -7.877 1.00 25.00 C ATOM 56 O LYS A 4 3.183 1.482 -8.294 1.00 25.00 O ATOM 57 CB LYS A 4 5.897 0.705 -6.571 1.00 25.00 C ATOM 58 CG LYS A 4 6.620 0.754 -5.191 1.00 25.00 C ATOM 59 CD LYS A 4 6.157 1.955 -4.309 1.00 25.00 C ATOM 60 CE LYS A 4 6.863 1.990 -2.911 1.00 25.00 C ATOM 61 NZ LYS A 4 6.530 3.232 -2.115 1.00 25.00 N ATOM 0 H LYS A 4 4.548 -1.621 -6.168 1.00 25.00 H new ATOM 0 HA LYS A 4 3.889 1.230 -5.873 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.344 -0.081 -7.179 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.064 1.647 -7.094 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.435 -0.177 -4.655 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.696 0.821 -5.352 1.00 25.00 H new ATOM 0 HD2 LYS A 4 6.360 2.887 -4.837 1.00 25.00 H new ATOM 0 HD3 LYS A 4 5.078 1.899 -4.165 1.00 25.00 H new ATOM 0 HE2 LYS A 4 6.571 1.109 -2.340 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.942 1.934 -3.053 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 7.193 3.322 -1.319 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 6.609 4.069 -2.728 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 5.559 3.161 -1.750 1.00 25.00 H new ATOM 75 N GLN A 5 3.851 -0.658 -8.509 1.00 25.00 N ATOM 76 CA GLN A 5 3.277 -0.841 -9.835 1.00 25.00 C ATOM 77 C GLN A 5 1.754 -0.713 -9.834 1.00 25.00 C ATOM 78 O GLN A 5 1.170 -0.218 -10.766 1.00 25.00 O ATOM 79 CB GLN A 5 3.646 -2.217 -10.366 1.00 25.00 C ATOM 80 CG GLN A 5 5.193 -2.407 -10.492 1.00 25.00 C ATOM 81 CD GLN A 5 5.552 -3.589 -11.304 1.00 25.00 C ATOM 82 OE1 GLN A 5 4.828 -4.527 -11.373 1.00 25.00 O ATOM 83 NE2 GLN A 5 6.682 -3.566 -11.931 1.00 25.00 N ATOM 0 H GLN A 5 4.298 -1.492 -8.129 1.00 25.00 H new ATOM 0 HA GLN A 5 3.684 -0.054 -10.470 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.241 -2.981 -9.703 1.00 25.00 H new ATOM 0 HB3 GLN A 5 3.183 -2.364 -11.342 1.00 25.00 H new ATOM 0 HG2 GLN A 5 5.630 -1.515 -10.941 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.626 -2.508 -9.497 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.289 -2.750 -11.858 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.967 -4.364 -12.499 1.00 25.00 H new ATOM 92 N GLN A 6 1.135 -1.080 -8.721 1.00 25.00 N ATOM 93 CA GLN A 6 -0.295 -0.839 -8.544 1.00 25.00 C ATOM 94 C GLN A 6 -0.643 0.646 -8.656 1.00 25.00 C ATOM 95 O GLN A 6 -1.727 0.982 -9.120 1.00 25.00 O ATOM 96 CB GLN A 6 -0.761 -1.292 -7.140 1.00 25.00 C ATOM 97 CG GLN A 6 -0.757 -2.799 -6.922 1.00 25.00 C ATOM 98 CD GLN A 6 -2.156 -3.366 -7.052 1.00 25.00 C ATOM 99 OE1 GLN A 6 -2.926 -2.950 -7.911 1.00 25.00 O ATOM 100 NE2 GLN A 6 -2.516 -4.259 -6.181 1.00 25.00 N ATOM 0 H GLN A 6 1.592 -1.541 -7.934 1.00 25.00 H new ATOM 0 HA GLN A 6 -0.792 -1.406 -9.331 1.00 25.00 H new ATOM 0 HB2 GLN A 6 -0.117 -0.829 -6.392 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -1.770 -0.917 -6.969 1.00 25.00 H new ATOM 0 HG2 GLN A 6 -0.098 -3.274 -7.649 1.00 25.00 H new ATOM 0 HG3 GLN A 6 -0.358 -3.027 -5.934 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -1.851 -4.584 -5.479 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -3.464 -4.636 -6.199 1.00 25.00 H new ATOM 109 N ILE A 7 0.231 1.515 -8.102 1.00 25.00 N ATOM 110 CA ILE A 7 -0.064 2.940 -8.027 1.00 25.00 C ATOM 111 C ILE A 7 0.057 3.415 -9.457 1.00 25.00 C ATOM 112 O ILE A 7 -0.720 4.260 -9.896 1.00 25.00 O ATOM 113 CB ILE A 7 0.987 3.710 -7.142 1.00 25.00 C ATOM 114 CG1 ILE A 7 0.943 3.180 -5.683 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.718 5.243 -7.153 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.205 3.475 -4.923 1.00 25.00 C ATOM 0 H ILE A 7 1.133 1.247 -7.708 1.00 25.00 H new ATOM 0 HA ILE A 7 -1.041 3.120 -7.579 1.00 25.00 H new ATOM 0 HB ILE A 7 1.976 3.534 -7.564 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.097 3.629 -5.163 1.00 25.00 H new ATOM 0 HG13 ILE A 7 0.775 2.103 -5.696 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.460 5.747 -6.533 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.784 5.617 -8.175 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.279 5.440 -6.759 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.120 3.083 -3.910 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.050 3.004 -5.425 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.362 4.553 -4.883 1.00 25.00 H new ATOM 128 N MET A 8 1.063 2.921 -10.174 1.00 25.00 N ATOM 129 CA MET A 8 1.309 3.360 -11.547 1.00 25.00 C ATOM 130 C MET A 8 0.148 2.965 -12.423 1.00 25.00 C ATOM 131 O MET A 8 -0.272 3.760 -13.262 1.00 25.00 O ATOM 132 CB MET A 8 2.570 2.729 -12.129 1.00 25.00 C ATOM 133 CG MET A 8 3.833 3.034 -11.318 1.00 25.00 C ATOM 134 SD MET A 8 5.377 2.646 -12.230 1.00 25.00 S ATOM 135 CE MET A 8 5.486 4.063 -13.309 1.00 25.00 C ATOM 0 H MET A 8 1.719 2.220 -9.830 1.00 25.00 H new ATOM 0 HA MET A 8 1.433 4.443 -11.521 1.00 25.00 H new ATOM 0 HB2 MET A 8 2.435 1.649 -12.184 1.00 25.00 H new ATOM 0 HB3 MET A 8 2.708 3.085 -13.150 1.00 25.00 H new ATOM 0 HG2 MET A 8 3.835 4.088 -11.041 1.00 25.00 H new ATOM 0 HG3 MET A 8 3.811 2.461 -10.391 1.00 25.00 H new ATOM 0 HE1 MET A 8 5.805 3.742 -14.301 1.00 25.00 H new ATOM 0 HE2 MET A 8 4.510 4.543 -13.379 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.210 4.772 -12.907 1.00 25.00 H new ATOM 145 N ALA A 9 -0.394 1.792 -12.135 1.00 25.00 N ATOM 146 CA ALA A 9 -1.560 1.286 -12.846 1.00 25.00 C ATOM 147 C ALA A 9 -2.787 2.181 -12.572 1.00 25.00 C ATOM 148 O ALA A 9 -3.657 2.373 -13.430 1.00 25.00 O ATOM 149 CB ALA A 9 -1.867 -0.127 -12.385 1.00 25.00 C ATOM 0 H ALA A 9 -0.043 1.168 -11.409 1.00 25.00 H new ATOM 0 HA ALA A 9 -1.343 1.290 -13.914 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.740 -0.502 -12.919 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -1.012 -0.771 -12.590 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -2.070 -0.124 -11.314 1.00 25.00 H new ATOM 155 N ALA A 10 -2.845 2.712 -11.369 1.00 25.00 N ATOM 156 CA ALA A 10 -3.933 3.622 -11.016 1.00 25.00 C ATOM 157 C ALA A 10 -3.805 4.941 -11.779 1.00 25.00 C ATOM 158 O ALA A 10 -4.772 5.399 -12.370 1.00 25.00 O ATOM 159 CB ALA A 10 -4.004 3.829 -9.483 1.00 25.00 C ATOM 0 H ALA A 10 -2.169 2.539 -10.625 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.878 3.170 -11.317 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.821 4.510 -9.245 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -4.177 2.870 -8.994 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.064 4.253 -9.129 1.00 25.00 H new ATOM 165 N LEU A 11 -2.608 5.523 -11.823 1.00 25.00 N ATOM 166 CA LEU A 11 -2.332 6.770 -12.553 1.00 25.00 C ATOM 167 C LEU A 11 -2.564 6.545 -14.027 1.00 25.00 C ATOM 168 O LEU A 11 -3.047 7.433 -14.687 1.00 25.00 O ATOM 169 CB LEU A 11 -0.898 7.259 -12.306 1.00 25.00 C ATOM 170 CG LEU A 11 -0.591 7.692 -10.849 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.870 7.952 -10.702 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.357 8.907 -10.400 1.00 25.00 C ATOM 0 H LEU A 11 -1.789 5.142 -11.349 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.008 7.543 -12.188 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.207 6.464 -12.585 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.699 8.102 -12.968 1.00 25.00 H new ATOM 0 HG LEU A 11 -0.911 6.867 -10.212 1.00 25.00 H new ATOM 0 HD11 LEU A 11 1.084 8.256 -9.677 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.426 7.044 -10.935 1.00 25.00 H new ATOM 0 HD13 LEU A 11 1.169 8.746 -11.386 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.088 9.147 -9.371 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.112 9.751 -11.045 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.427 8.705 -10.458 1.00 25.00 H new ATOM 184 N ASN A 12 -2.203 5.392 -14.540 1.00 25.00 N ATOM 185 CA ASN A 12 -2.387 5.090 -15.945 1.00 25.00 C ATOM 186 C ASN A 12 -3.857 5.146 -16.330 1.00 25.00 C ATOM 187 O ASN A 12 -4.162 5.561 -17.432 1.00 25.00 O ATOM 188 CB ASN A 12 -1.875 3.696 -16.262 1.00 25.00 C ATOM 189 CG ASN A 12 -0.502 3.712 -16.945 1.00 25.00 C ATOM 190 OD1 ASN A 12 -0.351 3.427 -18.111 1.00 25.00 O ATOM 191 ND2 ASN A 12 0.473 4.187 -16.233 1.00 25.00 N ATOM 0 H ASN A 12 -1.776 4.639 -14.001 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.829 5.837 -16.509 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.811 3.118 -15.340 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -2.592 3.188 -16.907 1.00 25.00 H new ATOM 0 HD21 ASN A 12 1.391 4.327 -16.655 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.321 4.420 -15.252 1.00 25.00 H new ATOM 198 N SER A 13 -4.771 4.678 -15.455 1.00 25.00 N ATOM 199 CA SER A 13 -6.202 4.777 -15.739 1.00 25.00 C ATOM 200 C SER A 13 -6.698 6.243 -15.839 1.00 25.00 C ATOM 201 O SER A 13 -7.462 6.588 -16.705 1.00 25.00 O ATOM 202 CB SER A 13 -6.967 4.035 -14.672 1.00 25.00 C ATOM 203 OG SER A 13 -8.327 3.885 -14.986 1.00 25.00 O ATOM 0 H SER A 13 -4.542 4.237 -14.564 1.00 25.00 H new ATOM 0 HA SER A 13 -6.379 4.327 -16.716 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.521 3.051 -14.529 1.00 25.00 H new ATOM 0 HB3 SER A 13 -6.873 4.568 -13.726 1.00 25.00 H new ATOM 0 HG SER A 13 -8.777 3.397 -14.265 1.00 25.00 H new ATOM 209 N GLN A 14 -6.146 7.097 -14.987 1.00 25.00 N ATOM 210 CA GLN A 14 -6.495 8.536 -14.962 1.00 25.00 C ATOM 211 C GLN A 14 -6.003 9.362 -16.186 1.00 25.00 C ATOM 212 O GLN A 14 -6.588 10.354 -16.542 1.00 25.00 O ATOM 213 CB GLN A 14 -5.930 9.196 -13.699 1.00 25.00 C ATOM 214 CG GLN A 14 -6.543 8.673 -12.383 1.00 25.00 C ATOM 215 CD GLN A 14 -5.581 8.830 -11.198 1.00 25.00 C ATOM 216 OE1 GLN A 14 -5.077 9.894 -10.928 1.00 25.00 O ATOM 217 NE2 GLN A 14 -5.377 7.770 -10.465 1.00 25.00 N ATOM 0 H GLN A 14 -5.448 6.828 -14.294 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.585 8.548 -14.986 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -4.852 9.039 -13.672 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.094 10.272 -13.761 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.467 9.213 -12.174 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.807 7.622 -12.499 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -5.815 6.884 -10.716 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -4.779 7.827 -9.641 1.00 25.00 H new ATOM 226 N THR A 15 -4.881 8.979 -16.759 1.00 25.00 N ATOM 227 CA THR A 15 -4.242 9.787 -17.775 1.00 25.00 C ATOM 228 C THR A 15 -4.205 9.132 -19.156 1.00 25.00 C ATOM 229 O THR A 15 -3.638 9.671 -20.066 1.00 25.00 O ATOM 230 CB THR A 15 -2.785 10.124 -17.389 1.00 25.00 C ATOM 231 OG1 THR A 15 -2.113 8.868 -17.204 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.730 10.934 -16.073 1.00 25.00 C ATOM 0 H THR A 15 -4.392 8.111 -16.538 1.00 25.00 H new ATOM 0 HA THR A 15 -4.857 10.685 -17.832 1.00 25.00 H new ATOM 0 HB THR A 15 -2.317 10.729 -18.166 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.428 8.447 -16.377 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.692 11.157 -15.826 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.282 11.866 -16.196 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.177 10.351 -15.268 1.00 25.00 H new ATOM 240 N ALA A 16 -4.811 7.957 -19.321 1.00 25.00 N ATOM 241 CA ALA A 16 -4.695 7.217 -20.573 1.00 25.00 C ATOM 242 C ALA A 16 -4.964 8.082 -21.827 1.00 25.00 C ATOM 243 O ALA A 16 -4.083 8.281 -22.653 1.00 25.00 O ATOM 244 CB ALA A 16 -5.706 5.997 -20.543 1.00 25.00 C ATOM 0 H ALA A 16 -5.382 7.502 -18.609 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.663 6.874 -20.650 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -5.628 5.437 -21.475 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -5.463 5.344 -19.705 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -6.724 6.370 -20.429 1.00 25.00 H new ATOM 250 N VAL A 17 -6.170 8.577 -21.967 1.00 25.00 N ATOM 251 CA VAL A 17 -6.515 9.385 -23.127 1.00 25.00 C ATOM 252 C VAL A 17 -5.939 10.819 -23.019 1.00 25.00 C ATOM 253 O VAL A 17 -5.638 11.449 -24.021 1.00 25.00 O ATOM 254 CB VAL A 17 -8.065 9.391 -23.335 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.805 10.116 -22.202 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.434 9.925 -24.715 1.00 25.00 C ATOM 0 H VAL A 17 -6.930 8.440 -21.300 1.00 25.00 H new ATOM 0 HA VAL A 17 -6.056 8.936 -24.008 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.403 8.356 -23.292 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.878 10.092 -22.394 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.595 9.620 -21.254 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.469 11.152 -22.152 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.518 9.917 -24.830 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.065 10.945 -24.821 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.983 9.295 -25.482 1.00 25.00 H new ATOM 266 N GLN A 18 -5.780 11.310 -21.795 1.00 25.00 N ATOM 267 CA GLN A 18 -5.276 12.672 -21.568 1.00 25.00 C ATOM 268 C GLN A 18 -3.851 12.754 -22.134 1.00 25.00 C ATOM 269 O GLN A 18 -3.530 13.698 -22.849 1.00 25.00 O ATOM 270 CB GLN A 18 -5.288 13.045 -20.063 1.00 25.00 C ATOM 271 CG GLN A 18 -4.833 14.441 -19.709 1.00 25.00 C ATOM 272 CD GLN A 18 -4.917 14.693 -18.243 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.437 13.911 -17.448 1.00 25.00 O ATOM 274 NE2 GLN A 18 -5.536 15.805 -17.850 1.00 25.00 N ATOM 0 H GLN A 18 -5.991 10.792 -20.942 1.00 25.00 H new ATOM 0 HA GLN A 18 -5.927 13.386 -22.073 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.302 12.912 -19.687 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.655 12.335 -19.531 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -3.806 14.585 -20.045 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.447 15.169 -20.239 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -5.929 16.442 -18.543 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -5.617 16.019 -16.856 1.00 25.00 H new ATOM 283 N PHE A 19 -3.020 11.768 -21.865 1.00 25.00 N ATOM 284 CA PHE A 19 -1.670 11.725 -22.433 1.00 25.00 C ATOM 285 C PHE A 19 -1.670 11.308 -23.902 1.00 25.00 C ATOM 286 O PHE A 19 -0.773 11.709 -24.632 1.00 25.00 O ATOM 287 CB PHE A 19 -0.795 10.764 -21.630 1.00 25.00 C ATOM 288 CG PHE A 19 -0.363 11.295 -20.234 1.00 25.00 C ATOM 289 CD1 PHE A 19 -0.679 12.584 -19.797 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.349 10.456 -19.352 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.321 13.018 -18.514 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.737 10.887 -18.075 1.00 25.00 C ATOM 293 CZ PHE A 19 0.392 12.147 -17.667 1.00 25.00 C ATOM 0 H PHE A 19 -3.247 10.981 -21.257 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.266 12.736 -22.377 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -1.335 9.827 -21.496 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.099 10.536 -22.210 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.207 13.255 -20.458 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.602 9.455 -19.668 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -0.589 14.009 -18.178 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.299 10.235 -17.424 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.671 12.479 -16.678 1.00 25.00 H new ATOM 303 N GLN A 20 -2.679 10.570 -24.344 1.00 25.00 N ATOM 304 CA GLN A 20 -2.761 10.192 -25.775 1.00 25.00 C ATOM 305 C GLN A 20 -2.957 11.465 -26.671 1.00 25.00 C ATOM 306 O GLN A 20 -2.249 11.645 -27.681 1.00 25.00 O ATOM 307 CB GLN A 20 -3.867 9.187 -26.008 1.00 25.00 C ATOM 308 CG GLN A 20 -3.859 8.541 -27.378 1.00 25.00 C ATOM 309 CD GLN A 20 -5.086 7.698 -27.597 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.400 6.850 -26.789 1.00 25.00 O ATOM 311 NE2 GLN A 20 -5.790 7.932 -28.663 1.00 25.00 N ATOM 0 H GLN A 20 -3.441 10.222 -23.762 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.820 9.720 -26.057 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.793 8.405 -25.252 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.826 9.683 -25.861 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.805 9.313 -28.145 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.968 7.923 -27.485 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -5.495 8.654 -29.321 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -6.638 7.394 -28.842 1.00 25.00 H new ATOM 320 N GLN A 21 -3.844 12.369 -26.253 1.00 25.00 N ATOM 321 CA GLN A 21 -4.084 13.636 -26.934 1.00 25.00 C ATOM 322 C GLN A 21 -2.858 14.572 -26.949 1.00 25.00 C ATOM 323 O GLN A 21 -2.532 15.220 -27.961 1.00 25.00 O ATOM 324 CB GLN A 21 -5.215 14.397 -26.177 1.00 25.00 C ATOM 325 CG GLN A 21 -6.602 13.699 -26.425 1.00 25.00 C ATOM 326 CD GLN A 21 -7.718 14.315 -25.661 1.00 25.00 C ATOM 327 OE1 GLN A 21 -7.569 14.735 -24.541 1.00 25.00 O ATOM 328 NE2 GLN A 21 -8.893 14.269 -26.260 1.00 25.00 N ATOM 0 H GLN A 21 -4.421 12.238 -25.422 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.340 13.389 -27.964 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.997 14.419 -25.109 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.256 15.432 -26.515 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.835 13.738 -27.489 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.524 12.646 -26.154 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -8.967 13.904 -27.210 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -9.727 14.598 -25.773 1.00 25.00 H new ATOM 337 N TYR A 22 -2.155 14.622 -25.816 1.00 25.00 N ATOM 338 CA TYR A 22 -0.917 15.351 -25.735 1.00 25.00 C ATOM 339 C TYR A 22 0.171 14.765 -26.590 1.00 25.00 C ATOM 340 O TYR A 22 0.895 15.503 -27.277 1.00 25.00 O ATOM 341 CB TYR A 22 -0.436 15.390 -24.294 1.00 25.00 C ATOM 342 CG TYR A 22 0.880 16.163 -24.165 1.00 25.00 C ATOM 343 CD1 TYR A 22 0.918 17.601 -24.150 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.108 15.496 -24.117 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.162 18.307 -24.115 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.326 16.183 -24.072 1.00 25.00 C ATOM 347 CZ TYR A 22 3.334 17.582 -24.107 1.00 25.00 C ATOM 348 OH TYR A 22 4.558 18.201 -24.063 1.00 25.00 O ATOM 0 H TYR A 22 -2.433 14.162 -24.949 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.125 16.354 -26.107 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.196 15.856 -23.667 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.300 14.373 -23.927 1.00 25.00 H new ATOM 0 HD1 TYR A 22 -0.008 18.157 -24.165 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.117 14.416 -24.115 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.182 19.387 -24.095 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.255 15.636 -24.011 1.00 25.00 H new ATOM 0 HH TYR A 22 5.267 17.524 -24.063 1.00 25.00 H new ATOM 358 N ALA A 23 0.285 13.430 -26.618 1.00 25.00 N ATOM 359 CA ALA A 23 1.339 12.808 -27.404 1.00 25.00 C ATOM 360 C ALA A 23 1.093 13.012 -28.930 1.00 25.00 C ATOM 361 O ALA A 23 2.027 13.269 -29.718 1.00 25.00 O ATOM 362 CB ALA A 23 1.431 11.353 -27.059 1.00 25.00 C ATOM 0 H ALA A 23 -0.324 12.783 -26.118 1.00 25.00 H new ATOM 0 HA ALA A 23 2.289 13.285 -27.163 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.221 10.888 -27.649 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.658 11.244 -25.998 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.481 10.866 -27.278 1.00 25.00 H new ATOM 368 N ALA A 24 -0.157 12.995 -29.348 1.00 25.00 N ATOM 369 CA ALA A 24 -0.495 13.320 -30.748 1.00 25.00 C ATOM 370 C ALA A 24 -0.268 14.766 -31.093 1.00 25.00 C ATOM 371 O ALA A 24 0.077 15.057 -32.220 1.00 25.00 O ATOM 372 CB ALA A 24 -1.906 12.907 -31.072 1.00 25.00 C ATOM 0 H ALA A 24 -0.957 12.765 -28.759 1.00 25.00 H new ATOM 0 HA ALA A 24 0.192 12.744 -31.369 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.129 13.158 -32.109 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.013 11.832 -30.927 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.599 13.432 -30.414 1.00 25.00 H new ATOM 378 N GLN A 25 -0.348 15.676 -30.103 1.00 25.00 N ATOM 379 CA GLN A 25 -0.036 17.082 -30.353 1.00 25.00 C ATOM 380 C GLN A 25 1.471 17.347 -30.542 1.00 25.00 C ATOM 381 O GLN A 25 1.841 18.410 -31.072 1.00 25.00 O ATOM 382 CB GLN A 25 -0.526 17.948 -29.179 1.00 25.00 C ATOM 383 CG GLN A 25 -1.560 19.000 -29.612 1.00 25.00 C ATOM 384 CD GLN A 25 -1.939 19.917 -28.474 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.519 19.731 -27.348 1.00 25.00 O ATOM 386 NE2 GLN A 25 -2.760 20.884 -28.738 1.00 25.00 N ATOM 0 H GLN A 25 -0.621 15.462 -29.144 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.546 17.342 -31.281 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.965 17.305 -28.416 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.327 18.449 -28.721 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.155 19.590 -30.435 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -2.452 18.499 -29.988 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.098 21.020 -29.691 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -3.068 21.509 -27.993 1.00 25.00 H new ATOM 395 N GLN A 26 2.294 16.427 -30.051 1.00 25.00 N ATOM 396 CA GLN A 26 3.784 16.557 -30.095 1.00 25.00 C ATOM 397 C GLN A 26 4.449 15.764 -31.227 1.00 25.00 C ATOM 398 O GLN A 26 5.417 16.172 -31.834 1.00 25.00 O ATOM 399 CB GLN A 26 4.391 16.041 -28.791 1.00 25.00 C ATOM 400 CG GLN A 26 4.161 16.918 -27.533 1.00 25.00 C ATOM 401 CD GLN A 26 4.960 18.202 -27.584 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.188 18.201 -27.645 1.00 25.00 O ATOM 403 NE2 GLN A 26 4.243 19.341 -27.538 1.00 25.00 N ATOM 0 H GLN A 26 1.970 15.567 -29.609 1.00 25.00 H new ATOM 0 HA GLN A 26 3.970 17.619 -30.258 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.987 15.048 -28.595 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.465 15.925 -28.936 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.101 17.154 -27.444 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.437 16.354 -26.642 1.00 25.00 H new ATOM 0 HE21 GLN A 26 3.225 19.301 -27.488 1.00 25.00 H new ATOM 0 HE22 GLN A 26 4.718 20.244 -27.553 1.00 25.00 H new ATOM 412 N TYR A 27 3.946 14.572 -31.435 1.00 25.00 N ATOM 413 CA TYR A 27 4.455 13.632 -32.481 1.00 25.00 C ATOM 414 C TYR A 27 3.329 13.133 -33.423 1.00 25.00 C ATOM 415 O TYR A 27 2.955 11.947 -33.410 1.00 25.00 O ATOM 416 CB TYR A 27 5.095 12.414 -31.796 1.00 25.00 C ATOM 417 CG TYR A 27 6.332 12.741 -30.925 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.205 13.750 -31.258 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.642 11.961 -29.769 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.322 14.038 -30.482 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.753 12.195 -29.001 1.00 25.00 C ATOM 422 CZ TYR A 27 8.610 13.288 -29.371 1.00 25.00 C ATOM 423 OH TYR A 27 9.739 13.584 -28.597 1.00 25.00 O ATOM 0 H TYR A 27 3.166 14.197 -30.895 1.00 25.00 H new ATOM 0 HA TYR A 27 5.183 14.176 -33.083 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.345 11.929 -31.171 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.386 11.694 -32.561 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.018 14.335 -32.147 1.00 25.00 H new ATOM 0 HD2 TYR A 27 5.977 11.157 -29.490 1.00 25.00 H new ATOM 0 HE1 TYR A 27 8.968 14.859 -30.756 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.978 11.577 -28.144 1.00 25.00 H new ATOM 0 HH TYR A 27 9.795 12.956 -27.846 1.00 25.00 H new ATOM 433 N PRO A 28 2.749 14.028 -34.245 1.00 25.00 N ATOM 434 CA PRO A 28 1.601 13.598 -35.055 1.00 25.00 C ATOM 435 C PRO A 28 1.979 12.590 -36.167 1.00 25.00 C ATOM 436 O PRO A 28 2.985 12.756 -36.855 1.00 25.00 O ATOM 437 CB PRO A 28 1.045 14.909 -35.616 1.00 25.00 C ATOM 438 CG PRO A 28 2.239 15.838 -35.645 1.00 25.00 C ATOM 439 CD PRO A 28 3.053 15.440 -34.434 1.00 25.00 C ATOM 0 HA PRO A 28 0.869 13.047 -34.465 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.625 14.769 -36.612 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.248 15.305 -34.987 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.812 15.721 -36.565 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.932 16.882 -35.592 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.118 15.599 -34.601 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.777 16.027 -33.558 1.00 25.00 H new ATOM 447 N GLY A 29 1.192 11.573 -36.388 1.00 25.00 N ATOM 448 CA GLY A 29 1.459 10.576 -37.403 1.00 25.00 C ATOM 449 C GLY A 29 2.535 9.560 -36.987 1.00 25.00 C ATOM 450 O GLY A 29 2.906 8.626 -37.734 1.00 25.00 O ATOM 0 H GLY A 29 0.333 11.406 -35.864 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.536 10.044 -37.632 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.775 11.075 -38.319 1.00 25.00 H new ATOM 454 N ASN A 30 3.019 9.668 -35.755 1.00 25.00 N ATOM 455 CA ASN A 30 4.057 8.754 -35.244 1.00 25.00 C ATOM 456 C ASN A 30 3.577 8.019 -34.002 1.00 25.00 C ATOM 457 O ASN A 30 3.886 8.429 -32.872 1.00 25.00 O ATOM 458 CB ASN A 30 5.315 9.555 -34.931 1.00 25.00 C ATOM 459 CG ASN A 30 6.038 10.025 -36.171 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.588 10.827 -36.894 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.195 9.490 -36.399 1.00 25.00 N ATOM 0 H ASN A 30 2.716 10.375 -35.086 1.00 25.00 H new ATOM 0 HA ASN A 30 4.276 8.006 -36.006 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.047 10.419 -34.323 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.990 8.942 -34.333 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.732 9.766 -37.221 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.570 8.792 -35.756 1.00 25.00 H new ATOM 468 N TYR A 31 2.905 6.900 -34.212 1.00 25.00 N ATOM 469 CA TYR A 31 2.394 6.037 -33.077 1.00 25.00 C ATOM 470 C TYR A 31 3.497 5.548 -32.156 1.00 25.00 C ATOM 471 O TYR A 31 3.368 5.603 -30.949 1.00 25.00 O ATOM 472 CB TYR A 31 1.632 4.803 -33.605 1.00 25.00 C ATOM 473 CG TYR A 31 1.381 3.728 -32.540 1.00 25.00 C ATOM 474 CD1 TYR A 31 0.281 3.826 -31.638 1.00 25.00 C ATOM 475 CD2 TYR A 31 2.242 2.624 -32.439 1.00 25.00 C ATOM 476 CE1 TYR A 31 0.071 2.815 -30.671 1.00 25.00 C ATOM 477 CE2 TYR A 31 2.073 1.639 -31.485 1.00 25.00 C ATOM 478 CZ TYR A 31 0.964 1.728 -30.595 1.00 25.00 C ATOM 479 OH TYR A 31 0.746 0.757 -29.627 1.00 25.00 O ATOM 0 H TYR A 31 2.684 6.540 -35.140 1.00 25.00 H new ATOM 0 HA TYR A 31 1.725 6.684 -32.509 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.675 5.126 -34.014 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.197 4.363 -34.426 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.390 4.670 -31.693 1.00 25.00 H new ATOM 0 HD2 TYR A 31 3.066 2.542 -33.132 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -0.769 2.876 -29.995 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.769 0.816 -31.415 1.00 25.00 H new ATOM 0 HH TYR A 31 1.439 0.068 -29.693 1.00 25.00 H new ATOM 489 N GLU A 32 4.586 5.034 -32.703 1.00 25.00 N ATOM 490 CA GLU A 32 5.681 4.553 -31.848 1.00 25.00 C ATOM 491 C GLU A 32 6.285 5.665 -31.025 1.00 25.00 C ATOM 492 O GLU A 32 6.614 5.469 -29.896 1.00 25.00 O ATOM 493 CB GLU A 32 6.792 3.868 -32.653 1.00 25.00 C ATOM 494 CG GLU A 32 7.345 4.649 -33.777 1.00 25.00 C ATOM 495 CD GLU A 32 8.403 3.831 -34.532 1.00 25.00 C ATOM 496 OE1 GLU A 32 9.481 3.520 -33.927 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.157 3.523 -35.718 1.00 25.00 O ATOM 0 H GLU A 32 4.743 4.936 -33.706 1.00 25.00 H new ATOM 0 HA GLU A 32 5.229 3.819 -31.181 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.607 3.618 -31.973 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.404 2.928 -33.045 1.00 25.00 H new ATOM 0 HG2 GLU A 32 6.543 4.934 -34.458 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.789 5.571 -33.403 1.00 25.00 H new ATOM 504 N GLN A 33 6.436 6.896 -31.580 1.00 25.00 N ATOM 505 CA GLN A 33 7.021 7.995 -30.805 1.00 25.00 C ATOM 506 C GLN A 33 6.118 8.510 -29.730 1.00 25.00 C ATOM 507 O GLN A 33 6.531 8.814 -28.607 1.00 25.00 O ATOM 508 CB GLN A 33 7.433 9.135 -31.739 1.00 25.00 C ATOM 509 CG GLN A 33 8.641 8.773 -32.640 1.00 25.00 C ATOM 510 CD GLN A 33 9.894 8.368 -31.886 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.321 9.067 -30.961 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.493 7.253 -32.285 1.00 25.00 N ATOM 0 H GLN A 33 6.166 7.138 -32.534 1.00 25.00 H new ATOM 0 HA GLN A 33 7.899 7.588 -30.303 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.585 9.406 -32.369 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.681 10.014 -31.143 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.352 7.957 -33.302 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.875 9.629 -33.273 1.00 25.00 H new ATOM 0 HE21 GLN A 33 10.100 6.710 -33.054 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.346 6.939 -31.822 1.00 25.00 H new ATOM 521 N GLN A 34 4.824 8.502 -30.044 1.00 25.00 N ATOM 522 CA GLN A 34 3.815 8.885 -29.069 1.00 25.00 C ATOM 523 C GLN A 34 3.870 7.990 -27.840 1.00 25.00 C ATOM 524 O GLN A 34 3.735 8.465 -26.690 1.00 25.00 O ATOM 525 CB GLN A 34 2.418 8.745 -29.734 1.00 25.00 C ATOM 526 CG GLN A 34 2.091 9.900 -30.685 1.00 25.00 C ATOM 527 CD GLN A 34 0.861 9.625 -31.497 1.00 25.00 C ATOM 528 OE1 GLN A 34 0.081 8.742 -31.173 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.664 10.383 -32.575 1.00 25.00 N ATOM 0 H GLN A 34 4.456 8.237 -30.957 1.00 25.00 H new ATOM 0 HA GLN A 34 4.000 9.912 -28.752 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.376 7.805 -30.284 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.655 8.694 -28.957 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.949 10.815 -30.110 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.936 10.071 -31.352 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.336 11.111 -32.816 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.159 10.235 -33.159 1.00 25.00 H new ATOM 538 N GLN A 35 4.074 6.701 -28.067 1.00 25.00 N ATOM 539 CA GLN A 35 4.104 5.722 -26.971 1.00 25.00 C ATOM 540 C GLN A 35 5.322 6.001 -26.061 1.00 25.00 C ATOM 541 O GLN A 35 5.230 5.943 -24.823 1.00 25.00 O ATOM 542 CB GLN A 35 4.193 4.268 -27.534 1.00 25.00 C ATOM 543 CG GLN A 35 2.871 3.741 -28.215 1.00 25.00 C ATOM 544 CD GLN A 35 1.775 3.569 -27.241 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.769 2.647 -26.427 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.866 4.487 -27.240 1.00 25.00 N ATOM 0 H GLN A 35 4.222 6.302 -28.994 1.00 25.00 H new ATOM 0 HA GLN A 35 3.184 5.816 -26.394 1.00 25.00 H new ATOM 0 HB2 GLN A 35 5.003 4.224 -28.262 1.00 25.00 H new ATOM 0 HB3 GLN A 35 4.460 3.594 -26.720 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.560 4.441 -28.991 1.00 25.00 H new ATOM 0 HG3 GLN A 35 3.072 2.789 -28.706 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.899 5.239 -27.929 1.00 25.00 H new ATOM 0 HE22 GLN A 35 0.115 4.460 -26.550 1.00 25.00 H new ATOM 555 N ILE A 36 6.454 6.277 -26.692 1.00 25.00 N ATOM 556 CA ILE A 36 7.672 6.534 -25.961 1.00 25.00 C ATOM 557 C ILE A 36 7.430 7.737 -25.074 1.00 25.00 C ATOM 558 O ILE A 36 7.781 7.739 -23.876 1.00 25.00 O ATOM 559 CB ILE A 36 8.823 6.816 -26.952 1.00 25.00 C ATOM 560 CG1 ILE A 36 9.109 5.539 -27.752 1.00 25.00 C ATOM 561 CG2 ILE A 36 10.060 7.311 -26.210 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.956 5.722 -28.932 1.00 25.00 C ATOM 0 H ILE A 36 6.548 6.327 -27.706 1.00 25.00 H new ATOM 0 HA ILE A 36 7.951 5.672 -25.355 1.00 25.00 H new ATOM 0 HB ILE A 36 8.534 7.606 -27.646 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.585 4.814 -27.092 1.00 25.00 H new ATOM 0 HG13 ILE A 36 8.160 5.107 -28.069 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.860 7.504 -26.925 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.820 8.231 -25.676 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.385 6.552 -25.498 1.00 25.00 H new ATOM 0 HD11 ILE A 36 10.100 4.763 -29.429 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.477 6.419 -29.620 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.923 6.121 -28.627 1.00 25.00 H new ATOM 574 N LEU A 37 6.829 8.775 -25.625 1.00 25.00 N ATOM 575 CA LEU A 37 6.532 9.953 -24.843 1.00 25.00 C ATOM 576 C LEU A 37 5.595 9.637 -23.661 1.00 25.00 C ATOM 577 O LEU A 37 5.917 10.029 -22.536 1.00 25.00 O ATOM 578 CB LEU A 37 5.882 11.001 -25.733 1.00 25.00 C ATOM 579 CG LEU A 37 5.686 12.364 -25.015 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.967 12.989 -24.484 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.014 13.324 -26.024 1.00 25.00 C ATOM 0 H LEU A 37 6.540 8.824 -26.602 1.00 25.00 H new ATOM 0 HA LEU A 37 7.471 10.328 -24.436 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.497 11.149 -26.621 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.914 10.632 -26.073 1.00 25.00 H new ATOM 0 HG LEU A 37 5.071 12.187 -24.133 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.735 13.937 -23.999 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.429 12.315 -23.762 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.656 13.163 -25.310 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.859 14.295 -25.554 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.655 13.441 -26.897 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.053 12.913 -26.332 1.00 25.00 H new ATOM 593 N ILE A 38 4.504 8.904 -23.868 1.00 25.00 N ATOM 594 CA ILE A 38 3.558 8.560 -22.770 1.00 25.00 C ATOM 595 C ILE A 38 4.281 7.832 -21.667 1.00 25.00 C ATOM 596 O ILE A 38 4.076 8.147 -20.489 1.00 25.00 O ATOM 597 CB ILE A 38 2.334 7.749 -23.358 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.510 8.678 -24.246 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.394 7.201 -22.230 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.613 7.993 -25.244 1.00 25.00 C ATOM 0 H ILE A 38 4.239 8.530 -24.779 1.00 25.00 H new ATOM 0 HA ILE A 38 3.153 9.468 -22.323 1.00 25.00 H new ATOM 0 HB ILE A 38 2.735 6.903 -23.917 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.896 9.313 -23.607 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.192 9.335 -24.787 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.568 6.651 -22.680 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.959 6.536 -21.577 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.001 8.034 -21.648 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.073 8.743 -25.823 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.216 7.381 -25.915 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.100 7.359 -24.717 1.00 25.00 H new ATOM 612 N ARG A 39 5.180 6.937 -22.039 1.00 25.00 N ATOM 613 CA ARG A 39 5.966 6.183 -21.045 1.00 25.00 C ATOM 614 C ARG A 39 6.777 7.136 -20.152 1.00 25.00 C ATOM 615 O ARG A 39 6.909 6.886 -18.945 1.00 25.00 O ATOM 616 CB ARG A 39 6.869 5.188 -21.768 1.00 25.00 C ATOM 617 CG ARG A 39 7.557 4.123 -20.903 1.00 25.00 C ATOM 618 CD ARG A 39 8.955 4.569 -20.408 1.00 25.00 C ATOM 619 NE ARG A 39 9.450 3.542 -19.479 1.00 25.00 N ATOM 620 CZ ARG A 39 9.192 3.465 -18.171 1.00 25.00 C ATOM 621 NH1 ARG A 39 8.470 4.346 -17.519 1.00 25.00 N ATOM 622 NH2 ARG A 39 9.701 2.469 -17.477 1.00 25.00 N ATOM 0 H ARG A 39 5.391 6.707 -23.010 1.00 25.00 H new ATOM 0 HA ARG A 39 5.290 5.631 -20.392 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.274 4.678 -22.526 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.641 5.750 -22.294 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.927 3.896 -20.043 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.656 3.202 -21.478 1.00 25.00 H new ATOM 0 HD2 ARG A 39 9.639 4.686 -21.249 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.894 5.537 -19.910 1.00 25.00 H new ATOM 0 HE ARG A 39 10.050 2.817 -19.873 1.00 25.00 H new ATOM 0 HH11 ARG A 39 8.071 5.144 -18.013 1.00 25.00 H new ATOM 0 HH12 ARG A 39 8.308 4.232 -16.518 1.00 25.00 H new ATOM 0 HH21 ARG A 39 10.283 1.770 -17.939 1.00 25.00 H new ATOM 0 HH22 ARG A 39 9.513 2.396 -16.477 1.00 25.00 H new ATOM 636 N GLN A 40 7.297 8.248 -20.709 1.00 25.00 N ATOM 637 CA GLN A 40 8.034 9.203 -19.889 1.00 25.00 C ATOM 638 C GLN A 40 7.105 10.003 -19.023 1.00 25.00 C ATOM 639 O GLN A 40 7.390 10.184 -17.844 1.00 25.00 O ATOM 640 CB GLN A 40 8.855 10.150 -20.767 1.00 25.00 C ATOM 641 CG GLN A 40 10.329 9.788 -20.825 1.00 25.00 C ATOM 642 CD GLN A 40 11.124 10.394 -19.668 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.838 10.195 -18.539 1.00 25.00 O ATOM 644 NE2 GLN A 40 12.061 11.202 -19.985 1.00 25.00 N ATOM 0 H GLN A 40 7.219 8.494 -21.696 1.00 25.00 H new ATOM 0 HA GLN A 40 8.707 8.633 -19.249 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.446 10.144 -21.777 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.752 11.167 -20.388 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.435 8.703 -20.806 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.748 10.133 -21.770 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.290 11.358 -20.967 1.00 25.00 H new ATOM 0 HE22 GLN A 40 12.580 11.692 -19.256 1.00 25.00 H new ATOM 653 N LEU A 41 6.002 10.472 -19.589 1.00 25.00 N ATOM 654 CA LEU A 41 5.131 11.353 -18.859 1.00 25.00 C ATOM 655 C LEU A 41 4.581 10.663 -17.599 1.00 25.00 C ATOM 656 O LEU A 41 4.457 11.284 -16.555 1.00 25.00 O ATOM 657 CB LEU A 41 3.912 11.767 -19.730 1.00 25.00 C ATOM 658 CG LEU A 41 4.154 12.566 -21.028 1.00 25.00 C ATOM 659 CD1 LEU A 41 2.826 12.744 -21.726 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.779 13.948 -20.793 1.00 25.00 C ATOM 0 H LEU A 41 5.700 10.255 -20.539 1.00 25.00 H new ATOM 0 HA LEU A 41 5.721 12.228 -18.585 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.376 10.857 -20.000 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.244 12.356 -19.101 1.00 25.00 H new ATOM 0 HG LEU A 41 4.865 12.000 -21.630 1.00 25.00 H new ATOM 0 HD11 LEU A 41 2.972 13.307 -22.648 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.404 11.767 -21.961 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.142 13.287 -21.074 1.00 25.00 H new ATOM 0 HD21 LEU A 41 4.920 14.451 -21.750 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.118 14.544 -20.163 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.744 13.832 -20.299 1.00 25.00 H new ATOM 672 N GLN A 42 4.256 9.377 -17.664 1.00 25.00 N ATOM 673 CA GLN A 42 3.719 8.660 -16.505 1.00 25.00 C ATOM 674 C GLN A 42 4.769 8.612 -15.402 1.00 25.00 C ATOM 675 O GLN A 42 4.468 8.755 -14.226 1.00 25.00 O ATOM 676 CB GLN A 42 3.308 7.195 -16.868 1.00 25.00 C ATOM 677 CG GLN A 42 2.197 7.026 -17.947 1.00 25.00 C ATOM 678 CD GLN A 42 0.782 7.417 -17.486 1.00 25.00 C ATOM 679 OE1 GLN A 42 0.562 7.955 -16.404 1.00 25.00 O ATOM 680 NE2 GLN A 42 -0.177 7.138 -18.336 1.00 25.00 N ATOM 0 H GLN A 42 4.353 8.807 -18.504 1.00 25.00 H new ATOM 0 HA GLN A 42 2.831 9.196 -16.170 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.198 6.667 -17.211 1.00 25.00 H new ATOM 0 HB3 GLN A 42 2.975 6.699 -15.956 1.00 25.00 H new ATOM 0 HG2 GLN A 42 2.460 7.629 -18.816 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.183 5.986 -18.273 1.00 25.00 H new ATOM 0 HE21 GLN A 42 0.044 6.691 -19.226 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -1.144 7.368 -18.108 1.00 25.00 H new ATOM 689 N GLU A 43 6.044 8.395 -15.760 1.00 25.00 N ATOM 690 CA GLU A 43 7.120 8.265 -14.745 1.00 25.00 C ATOM 691 C GLU A 43 7.511 9.653 -14.211 1.00 25.00 C ATOM 692 O GLU A 43 7.946 9.792 -13.084 1.00 25.00 O ATOM 693 CB GLU A 43 8.349 7.575 -15.395 1.00 25.00 C ATOM 694 CG GLU A 43 9.270 6.861 -14.355 1.00 25.00 C ATOM 695 CD GLU A 43 10.487 6.173 -14.989 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.222 6.844 -15.744 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.693 4.984 -14.746 1.00 25.00 O ATOM 0 H GLU A 43 6.360 8.306 -16.726 1.00 25.00 H new ATOM 0 HA GLU A 43 6.764 7.662 -13.910 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.004 6.845 -16.127 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.932 8.319 -15.937 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.615 7.592 -13.624 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.685 6.119 -13.812 1.00 25.00 H new ATOM 704 N GLN A 44 7.381 10.691 -15.028 1.00 25.00 N ATOM 705 CA GLN A 44 7.719 12.079 -14.599 1.00 25.00 C ATOM 706 C GLN A 44 6.706 12.508 -13.556 1.00 25.00 C ATOM 707 O GLN A 44 7.093 12.942 -12.464 1.00 25.00 O ATOM 708 CB GLN A 44 7.700 13.052 -15.826 1.00 25.00 C ATOM 709 CG GLN A 44 8.986 12.938 -16.737 1.00 25.00 C ATOM 710 CD GLN A 44 10.262 13.480 -16.099 1.00 25.00 C ATOM 711 OE1 GLN A 44 10.312 14.631 -15.673 1.00 25.00 O ATOM 712 NE2 GLN A 44 11.281 12.679 -16.051 1.00 25.00 N ATOM 0 H GLN A 44 7.048 10.618 -15.989 1.00 25.00 H new ATOM 0 HA GLN A 44 8.723 12.108 -14.175 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.816 12.846 -16.430 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.608 14.077 -15.466 1.00 25.00 H new ATOM 0 HG2 GLN A 44 9.141 11.891 -16.996 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.805 13.474 -17.669 1.00 25.00 H new ATOM 0 HE21 GLN A 44 11.201 11.730 -16.415 1.00 25.00 H new ATOM 0 HE22 GLN A 44 12.162 12.999 -15.649 1.00 25.00 H new ATOM 721 N HIS A 45 5.437 12.223 -13.813 1.00 25.00 N ATOM 722 CA HIS A 45 4.391 12.473 -12.817 1.00 25.00 C ATOM 723 C HIS A 45 4.597 11.616 -11.592 1.00 25.00 C ATOM 724 O HIS A 45 4.413 12.079 -10.447 1.00 25.00 O ATOM 725 CB HIS A 45 3.030 12.132 -13.378 1.00 25.00 C ATOM 726 CG HIS A 45 1.905 12.463 -12.448 1.00 25.00 C ATOM 727 ND1 HIS A 45 1.128 13.584 -12.543 1.00 25.00 N ATOM 728 CD2 HIS A 45 1.421 11.781 -11.380 1.00 25.00 C ATOM 729 CE1 HIS A 45 0.239 13.547 -11.568 1.00 25.00 C ATOM 730 NE2 HIS A 45 0.369 12.456 -10.837 1.00 25.00 N ATOM 0 H HIS A 45 5.104 11.823 -14.690 1.00 25.00 H new ATOM 0 HA HIS A 45 4.446 13.530 -12.555 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.887 12.669 -14.316 1.00 25.00 H new ATOM 0 HB3 HIS A 45 2.998 11.068 -13.612 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.811 10.843 -11.014 1.00 25.00 H new ATOM 0 HE1 HIS A 45 -0.501 14.313 -11.391 1.00 25.00 H new ATOM 0 HE2 HIS A 45 -0.197 12.177 -10.036 1.00 25.00 H new ATOM 738 N TYR A 46 4.989 10.355 -11.785 1.00 25.00 N ATOM 739 CA TYR A 46 5.146 9.427 -10.674 1.00 25.00 C ATOM 740 C TYR A 46 6.186 9.876 -9.658 1.00 25.00 C ATOM 741 O TYR A 46 6.013 9.629 -8.454 1.00 25.00 O ATOM 742 CB TYR A 46 5.589 8.072 -11.187 1.00 25.00 C ATOM 743 CG TYR A 46 5.617 7.060 -10.050 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.446 6.413 -9.649 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.807 6.753 -9.389 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.453 5.449 -8.607 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.810 5.796 -8.324 1.00 25.00 C ATOM 748 CZ TYR A 46 5.643 5.157 -7.976 1.00 25.00 C ATOM 749 OH TYR A 46 5.674 4.232 -6.974 1.00 25.00 O ATOM 0 H TYR A 46 5.202 9.958 -12.700 1.00 25.00 H new ATOM 0 HA TYR A 46 4.172 9.384 -10.187 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.910 7.732 -11.969 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.579 8.152 -11.637 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.515 6.651 -10.142 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.727 7.238 -9.681 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.540 4.952 -8.313 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.726 5.577 -7.796 1.00 25.00 H new ATOM 0 HH TYR A 46 6.066 4.633 -6.171 1.00 25.00 H new ATOM 759 N GLN A 47 7.242 10.525 -10.088 1.00 25.00 N ATOM 760 CA GLN A 47 8.294 10.965 -9.112 1.00 25.00 C ATOM 761 C GLN A 47 7.722 12.056 -8.193 1.00 25.00 C ATOM 762 O GLN A 47 7.885 12.007 -6.970 1.00 25.00 O ATOM 763 CB GLN A 47 9.584 11.454 -9.867 1.00 25.00 C ATOM 764 CG GLN A 47 10.859 11.258 -9.082 1.00 25.00 C ATOM 765 CD GLN A 47 10.850 12.053 -7.816 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.775 13.237 -7.827 1.00 25.00 O ATOM 767 NE2 GLN A 47 10.912 11.355 -6.683 1.00 25.00 N ATOM 0 H GLN A 47 7.422 10.768 -11.062 1.00 25.00 H new ATOM 0 HA GLN A 47 8.588 10.118 -8.492 1.00 25.00 H new ATOM 0 HB2 GLN A 47 9.665 10.919 -10.813 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.475 12.512 -10.107 1.00 25.00 H new ATOM 0 HG2 GLN A 47 10.985 10.201 -8.848 1.00 25.00 H new ATOM 0 HG3 GLN A 47 11.712 11.553 -9.692 1.00 25.00 H new ATOM 0 HE21 GLN A 47 10.976 10.337 -6.714 1.00 25.00 H new ATOM 0 HE22 GLN A 47 10.896 11.838 -5.785 1.00 25.00 H new ATOM 776 N GLN A 48 7.001 13.006 -8.782 1.00 25.00 N ATOM 777 CA GLN A 48 6.369 14.078 -8.020 1.00 25.00 C ATOM 778 C GLN A 48 5.271 13.503 -7.112 1.00 25.00 C ATOM 779 O GLN A 48 5.128 13.921 -5.982 1.00 25.00 O ATOM 780 CB GLN A 48 5.792 15.115 -8.978 1.00 25.00 C ATOM 781 CG GLN A 48 5.368 16.378 -8.235 1.00 25.00 C ATOM 782 CD GLN A 48 4.833 17.419 -9.196 1.00 25.00 C ATOM 783 OE1 GLN A 48 3.962 17.136 -10.008 1.00 25.00 O ATOM 784 NE2 GLN A 48 5.365 18.618 -9.111 1.00 25.00 N ATOM 0 H GLN A 48 6.840 13.055 -9.788 1.00 25.00 H new ATOM 0 HA GLN A 48 7.114 14.562 -7.389 1.00 25.00 H new ATOM 0 HB2 GLN A 48 6.535 15.367 -9.735 1.00 25.00 H new ATOM 0 HB3 GLN A 48 4.934 14.693 -9.501 1.00 25.00 H new ATOM 0 HG2 GLN A 48 4.604 16.131 -7.498 1.00 25.00 H new ATOM 0 HG3 GLN A 48 6.218 16.785 -7.688 1.00 25.00 H new ATOM 0 HE21 GLN A 48 6.089 18.807 -8.418 1.00 25.00 H new ATOM 0 HE22 GLN A 48 5.054 19.360 -9.738 1.00 25.00 H new ATOM 793 N TYR A 49 4.547 12.493 -7.603 1.00 25.00 N ATOM 794 CA TYR A 49 3.525 11.782 -6.829 1.00 25.00 C ATOM 795 C TYR A 49 4.168 11.111 -5.612 1.00 25.00 C ATOM 796 O TYR A 49 3.697 11.304 -4.522 1.00 25.00 O ATOM 797 CB TYR A 49 2.844 10.723 -7.722 1.00 25.00 C ATOM 798 CG TYR A 49 1.544 10.130 -7.127 1.00 25.00 C ATOM 799 CD1 TYR A 49 0.295 10.789 -7.313 1.00 25.00 C ATOM 800 CD2 TYR A 49 1.573 8.933 -6.334 1.00 25.00 C ATOM 801 CE1 TYR A 49 -0.889 10.230 -6.763 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.391 8.394 -5.763 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.835 9.036 -5.995 1.00 25.00 C ATOM 804 OH TYR A 49 -1.957 8.454 -5.421 1.00 25.00 O ATOM 0 H TYR A 49 4.654 12.143 -8.555 1.00 25.00 H new ATOM 0 HA TYR A 49 2.774 12.492 -6.483 1.00 25.00 H new ATOM 0 HB2 TYR A 49 2.616 11.172 -8.689 1.00 25.00 H new ATOM 0 HB3 TYR A 49 3.549 9.912 -7.906 1.00 25.00 H new ATOM 0 HD1 TYR A 49 0.248 11.712 -7.871 1.00 25.00 H new ATOM 0 HD2 TYR A 49 2.515 8.432 -6.169 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -1.839 10.717 -6.930 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.434 7.501 -5.157 1.00 25.00 H new ATOM 0 HH TYR A 49 -1.694 7.642 -4.939 1.00 25.00 H new ATOM 814 N MET A 50 5.262 10.396 -5.787 1.00 25.00 N ATOM 815 CA MET A 50 5.976 9.760 -4.677 1.00 25.00 C ATOM 816 C MET A 50 6.493 10.786 -3.677 1.00 25.00 C ATOM 817 O MET A 50 6.416 10.585 -2.490 1.00 25.00 O ATOM 818 CB MET A 50 7.124 8.893 -5.206 1.00 25.00 C ATOM 819 CG MET A 50 7.576 7.832 -4.167 1.00 25.00 C ATOM 820 SD MET A 50 6.850 6.196 -4.528 1.00 25.00 S ATOM 821 CE MET A 50 5.051 6.476 -4.513 1.00 25.00 C ATOM 0 H MET A 50 5.688 10.235 -6.700 1.00 25.00 H new ATOM 0 HA MET A 50 5.267 9.121 -4.151 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.809 8.393 -6.122 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.970 9.530 -5.466 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.663 7.758 -4.170 1.00 25.00 H new ATOM 0 HG3 MET A 50 7.281 8.150 -3.167 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.534 5.527 -4.651 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.759 6.913 -3.558 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.782 7.157 -5.321 1.00 25.00 H new ATOM 831 N GLN A 51 6.983 11.903 -4.159 1.00 25.00 N ATOM 832 CA GLN A 51 7.509 12.952 -3.297 1.00 25.00 C ATOM 833 C GLN A 51 6.336 13.634 -2.539 1.00 25.00 C ATOM 834 O GLN A 51 6.459 13.968 -1.360 1.00 25.00 O ATOM 835 CB GLN A 51 8.222 13.955 -4.234 1.00 25.00 C ATOM 836 CG GLN A 51 9.116 14.971 -3.519 1.00 25.00 C ATOM 837 CD GLN A 51 8.347 15.981 -2.694 1.00 25.00 C ATOM 838 OE1 GLN A 51 8.611 16.148 -1.522 1.00 25.00 O ATOM 839 NE2 GLN A 51 7.427 16.710 -3.318 1.00 25.00 N ATOM 0 H GLN A 51 7.032 12.117 -5.155 1.00 25.00 H new ATOM 0 HA GLN A 51 8.200 12.565 -2.548 1.00 25.00 H new ATOM 0 HB2 GLN A 51 8.828 13.397 -4.948 1.00 25.00 H new ATOM 0 HB3 GLN A 51 7.469 14.494 -4.808 1.00 25.00 H new ATOM 0 HG2 GLN A 51 9.811 14.438 -2.870 1.00 25.00 H new ATOM 0 HG3 GLN A 51 9.715 15.500 -4.260 1.00 25.00 H new ATOM 0 HE21 GLN A 51 7.228 16.545 -4.305 1.00 25.00 H new ATOM 0 HE22 GLN A 51 6.920 17.435 -2.810 1.00 25.00 H new ATOM 848 N GLN A 52 5.212 13.811 -3.188 1.00 25.00 N ATOM 849 CA GLN A 52 4.091 14.434 -2.512 1.00 25.00 C ATOM 850 C GLN A 52 3.635 13.504 -1.402 1.00 25.00 C ATOM 851 O GLN A 52 3.471 13.948 -0.274 1.00 25.00 O ATOM 852 CB GLN A 52 2.951 14.748 -3.497 1.00 25.00 C ATOM 853 CG GLN A 52 1.793 15.405 -2.886 1.00 25.00 C ATOM 854 CD GLN A 52 1.924 16.920 -2.771 1.00 25.00 C ATOM 855 OE1 GLN A 52 2.984 17.484 -2.678 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.815 17.570 -2.715 1.00 25.00 N ATOM 0 H GLN A 52 5.046 13.542 -4.158 1.00 25.00 H new ATOM 0 HA GLN A 52 4.396 15.389 -2.085 1.00 25.00 H new ATOM 0 HB2 GLN A 52 3.338 15.385 -4.292 1.00 25.00 H new ATOM 0 HB3 GLN A 52 2.623 13.819 -3.964 1.00 25.00 H new ATOM 0 HG2 GLN A 52 0.905 15.172 -3.473 1.00 25.00 H new ATOM 0 HG3 GLN A 52 1.636 14.988 -1.891 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -0.072 17.073 -2.796 1.00 25.00 H new ATOM 0 HE22 GLN A 52 0.823 18.582 -2.590 1.00 25.00 H new ATOM 865 N LEU A 53 3.525 12.202 -1.689 1.00 25.00 N ATOM 866 CA LEU A 53 3.141 11.229 -0.662 1.00 25.00 C ATOM 867 C LEU A 53 4.095 11.196 0.556 1.00 25.00 C ATOM 868 O LEU A 53 3.704 10.905 1.654 1.00 25.00 O ATOM 869 CB LEU A 53 3.072 9.824 -1.264 1.00 25.00 C ATOM 870 CG LEU A 53 1.768 9.460 -1.972 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.932 8.100 -2.758 1.00 25.00 C ATOM 872 CD2 LEU A 53 0.586 9.365 -0.994 1.00 25.00 C ATOM 0 H LEU A 53 3.694 11.802 -2.612 1.00 25.00 H new ATOM 0 HA LEU A 53 2.164 11.552 -0.302 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.891 9.715 -1.975 1.00 25.00 H new ATOM 0 HB3 LEU A 53 3.243 9.100 -0.467 1.00 25.00 H new ATOM 0 HG LEU A 53 1.547 10.262 -2.677 1.00 25.00 H new ATOM 0 HD11 LEU A 53 0.995 7.853 -3.257 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.723 8.202 -3.501 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.191 7.305 -2.059 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.319 9.104 -1.542 1.00 25.00 H new ATOM 0 HD22 LEU A 53 0.792 8.598 -0.248 1.00 25.00 H new ATOM 0 HD23 LEU A 53 0.446 10.326 -0.498 1.00 25.00 H new ATOM 884 N TYR A 54 5.356 11.552 0.331 1.00 25.00 N ATOM 885 CA TYR A 54 6.373 11.601 1.385 1.00 25.00 C ATOM 886 C TYR A 54 6.027 12.742 2.363 1.00 25.00 C ATOM 887 O TYR A 54 6.065 12.551 3.578 1.00 25.00 O ATOM 888 CB TYR A 54 7.756 11.807 0.764 1.00 25.00 C ATOM 889 CG TYR A 54 8.632 12.760 1.528 1.00 25.00 C ATOM 890 CD1 TYR A 54 9.367 12.311 2.646 1.00 25.00 C ATOM 891 CD2 TYR A 54 8.760 14.099 1.130 1.00 25.00 C ATOM 892 CE1 TYR A 54 10.174 13.216 3.414 1.00 25.00 C ATOM 893 CE2 TYR A 54 9.599 14.997 1.849 1.00 25.00 C ATOM 894 CZ TYR A 54 10.289 14.546 2.960 1.00 25.00 C ATOM 895 OH TYR A 54 11.058 15.469 3.592 1.00 25.00 O ATOM 0 H TYR A 54 5.706 11.816 -0.590 1.00 25.00 H new ATOM 0 HA TYR A 54 6.389 10.660 1.934 1.00 25.00 H new ATOM 0 HB2 TYR A 54 8.259 10.843 0.695 1.00 25.00 H new ATOM 0 HB3 TYR A 54 7.635 12.177 -0.254 1.00 25.00 H new ATOM 0 HD1 TYR A 54 9.321 11.270 2.928 1.00 25.00 H new ATOM 0 HD2 TYR A 54 8.215 14.453 0.267 1.00 25.00 H new ATOM 0 HE1 TYR A 54 10.677 12.889 4.312 1.00 25.00 H new ATOM 0 HE2 TYR A 54 9.696 16.024 1.529 1.00 25.00 H new ATOM 0 HH TYR A 54 11.000 16.324 3.117 1.00 25.00 H new ATOM 905 N GLN A 55 5.572 13.876 1.845 1.00 25.00 N ATOM 906 CA GLN A 55 5.174 15.029 2.652 1.00 25.00 C ATOM 907 C GLN A 55 3.902 14.756 3.387 1.00 25.00 C ATOM 908 O GLN A 55 3.725 15.172 4.531 1.00 25.00 O ATOM 909 CB GLN A 55 5.009 16.268 1.807 1.00 25.00 C ATOM 910 CG GLN A 55 6.259 16.687 1.035 1.00 25.00 C ATOM 911 CD GLN A 55 6.099 18.058 0.342 1.00 25.00 C ATOM 912 OE1 GLN A 55 5.085 18.750 0.455 1.00 25.00 O ATOM 913 NE2 GLN A 55 7.139 18.447 -0.377 1.00 25.00 N ATOM 0 H GLN A 55 5.467 14.025 0.842 1.00 25.00 H new ATOM 0 HA GLN A 55 5.974 15.203 3.372 1.00 25.00 H new ATOM 0 HB2 GLN A 55 4.199 16.101 1.097 1.00 25.00 H new ATOM 0 HB3 GLN A 55 4.703 17.092 2.451 1.00 25.00 H new ATOM 0 HG2 GLN A 55 7.107 16.727 1.719 1.00 25.00 H new ATOM 0 HG3 GLN A 55 6.489 15.930 0.285 1.00 25.00 H new ATOM 0 HE21 GLN A 55 7.962 17.849 -0.449 1.00 25.00 H new ATOM 0 HE22 GLN A 55 7.118 19.345 -0.860 1.00 25.00 H new ATOM 922 N VAL A 56 3.030 13.996 2.754 1.00 25.00 N ATOM 923 CA VAL A 56 1.744 13.592 3.362 1.00 25.00 C ATOM 924 C VAL A 56 1.984 12.639 4.536 1.00 25.00 C ATOM 925 O VAL A 56 1.349 12.743 5.576 1.00 25.00 O ATOM 926 CB VAL A 56 0.833 12.890 2.296 1.00 25.00 C ATOM 927 CG1 VAL A 56 -0.454 12.342 2.907 1.00 25.00 C ATOM 928 CG2 VAL A 56 0.505 13.898 1.189 1.00 25.00 C ATOM 0 H VAL A 56 3.176 13.635 1.811 1.00 25.00 H new ATOM 0 HA VAL A 56 1.243 14.489 3.727 1.00 25.00 H new ATOM 0 HB VAL A 56 1.377 12.038 1.888 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -1.051 11.865 2.130 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -0.209 11.610 3.676 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -1.022 13.159 3.352 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -0.129 13.423 0.440 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -0.019 14.752 1.618 1.00 25.00 H new ATOM 0 HG23 VAL A 56 1.429 14.237 0.720 1.00 25.00 H new ATOM 938 N GLN A 57 2.923 11.728 4.372 1.00 25.00 N ATOM 939 CA GLN A 57 3.322 10.840 5.457 1.00 25.00 C ATOM 940 C GLN A 57 3.810 11.619 6.608 1.00 25.00 C ATOM 941 O GLN A 57 3.433 11.374 7.744 1.00 25.00 O ATOM 942 CB GLN A 57 4.489 9.876 5.026 1.00 25.00 C ATOM 943 CG GLN A 57 4.000 8.425 4.765 1.00 25.00 C ATOM 944 CD GLN A 57 4.647 7.396 5.715 1.00 25.00 C ATOM 945 OE1 GLN A 57 4.556 7.489 6.901 1.00 25.00 O ATOM 946 NE2 GLN A 57 5.266 6.385 5.164 1.00 25.00 N ATOM 0 H GLN A 57 3.427 11.580 3.498 1.00 25.00 H new ATOM 0 HA GLN A 57 2.438 10.259 5.719 1.00 25.00 H new ATOM 0 HB2 GLN A 57 4.961 10.264 4.124 1.00 25.00 H new ATOM 0 HB3 GLN A 57 5.252 9.864 5.805 1.00 25.00 H new ATOM 0 HG2 GLN A 57 2.917 8.386 4.878 1.00 25.00 H new ATOM 0 HG3 GLN A 57 4.223 8.151 3.734 1.00 25.00 H new ATOM 0 HE21 GLN A 57 5.335 6.321 4.148 1.00 25.00 H new ATOM 0 HE22 GLN A 57 5.680 5.660 5.750 1.00 25.00 H new ATOM 955 N LEU A 58 4.616 12.659 6.349 1.00 25.00 N ATOM 956 CA LEU A 58 5.107 13.481 7.452 1.00 25.00 C ATOM 957 C LEU A 58 3.984 14.273 8.103 1.00 25.00 C ATOM 958 O LEU A 58 3.955 14.350 9.317 1.00 25.00 O ATOM 959 CB LEU A 58 6.159 14.447 6.969 1.00 25.00 C ATOM 960 CG LEU A 58 7.511 13.816 6.627 1.00 25.00 C ATOM 961 CD1 LEU A 58 8.386 14.841 5.926 1.00 25.00 C ATOM 962 CD2 LEU A 58 8.203 13.282 7.884 1.00 25.00 C ATOM 0 H LEU A 58 4.930 12.940 5.420 1.00 25.00 H new ATOM 0 HA LEU A 58 5.535 12.800 8.188 1.00 25.00 H new ATOM 0 HB2 LEU A 58 5.781 14.960 6.085 1.00 25.00 H new ATOM 0 HB3 LEU A 58 6.313 15.206 7.736 1.00 25.00 H new ATOM 0 HG LEU A 58 7.345 12.971 5.959 1.00 25.00 H new ATOM 0 HD11 LEU A 58 9.349 14.392 5.682 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.897 15.171 5.009 1.00 25.00 H new ATOM 0 HD13 LEU A 58 8.541 15.697 6.583 1.00 25.00 H new ATOM 0 HD21 LEU A 58 9.161 12.839 7.612 1.00 25.00 H new ATOM 0 HD22 LEU A 58 8.368 14.101 8.584 1.00 25.00 H new ATOM 0 HD23 LEU A 58 7.574 12.525 8.352 1.00 25.00 H new ATOM 974 N ALA A 59 3.015 14.734 7.316 1.00 25.00 N ATOM 975 CA ALA A 59 1.838 15.453 7.856 1.00 25.00 C ATOM 976 C ALA A 59 1.075 14.507 8.775 1.00 25.00 C ATOM 977 O ALA A 59 0.584 14.911 9.826 1.00 25.00 O ATOM 978 CB ALA A 59 0.903 15.961 6.714 1.00 25.00 C ATOM 0 H ALA A 59 3.011 14.628 6.301 1.00 25.00 H new ATOM 0 HA ALA A 59 2.180 16.328 8.409 1.00 25.00 H new ATOM 0 HB1 ALA A 59 0.050 16.484 7.147 1.00 25.00 H new ATOM 0 HB2 ALA A 59 1.456 16.642 6.067 1.00 25.00 H new ATOM 0 HB3 ALA A 59 0.549 15.112 6.129 1.00 25.00 H new ATOM 984 N GLN A 60 1.017 13.234 8.438 1.00 25.00 N ATOM 985 CA GLN A 60 0.292 12.282 9.281 1.00 25.00 C ATOM 986 C GLN A 60 1.069 11.966 10.541 1.00 25.00 C ATOM 987 O GLN A 60 0.515 11.840 11.611 1.00 25.00 O ATOM 988 CB GLN A 60 0.020 10.981 8.558 1.00 25.00 C ATOM 989 CG GLN A 60 -0.906 11.189 7.448 1.00 25.00 C ATOM 990 CD GLN A 60 -1.727 9.965 7.173 1.00 25.00 C ATOM 991 OE1 GLN A 60 -2.596 9.594 7.934 1.00 25.00 O ATOM 992 NE2 GLN A 60 -1.463 9.313 6.071 1.00 25.00 N ATOM 0 H GLN A 60 1.450 12.833 7.606 1.00 25.00 H new ATOM 0 HA GLN A 60 -0.655 12.760 9.534 1.00 25.00 H new ATOM 0 HB2 GLN A 60 0.956 10.565 8.184 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -0.397 10.253 9.254 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -1.566 12.026 7.677 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -0.346 11.460 6.553 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -0.728 9.644 5.446 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -1.992 8.473 5.836 1.00 25.00 H new ATOM 1001 N GLN A 61 2.383 11.884 10.413 1.00 25.00 N ATOM 1002 CA GLN A 61 3.254 11.651 11.584 1.00 25.00 C ATOM 1003 C GLN A 61 3.173 12.821 12.544 1.00 25.00 C ATOM 1004 O GLN A 61 3.025 12.646 13.720 1.00 25.00 O ATOM 1005 CB GLN A 61 4.712 11.466 11.177 1.00 25.00 C ATOM 1006 CG GLN A 61 4.961 10.268 10.259 1.00 25.00 C ATOM 1007 CD GLN A 61 5.905 9.270 10.893 1.00 25.00 C ATOM 1008 OE1 GLN A 61 7.087 9.516 11.005 1.00 25.00 O ATOM 1009 NE2 GLN A 61 5.356 8.208 11.417 1.00 25.00 N ATOM 0 H GLN A 61 2.879 11.972 9.526 1.00 25.00 H new ATOM 0 HA GLN A 61 2.900 10.739 12.065 1.00 25.00 H new ATOM 0 HB2 GLN A 61 5.055 12.371 10.675 1.00 25.00 H new ATOM 0 HB3 GLN A 61 5.317 11.352 12.077 1.00 25.00 H new ATOM 0 HG2 GLN A 61 4.013 9.780 10.031 1.00 25.00 H new ATOM 0 HG3 GLN A 61 5.377 10.614 9.313 1.00 25.00 H new ATOM 0 HE21 GLN A 61 4.357 8.039 11.299 1.00 25.00 H new ATOM 0 HE22 GLN A 61 5.926 7.547 11.945 1.00 25.00 H new ATOM 1018 N GLN A 62 3.272 14.042 12.021 1.00 25.00 N ATOM 1019 CA GLN A 62 3.233 15.184 12.923 1.00 25.00 C ATOM 1020 C GLN A 62 1.878 15.350 13.632 1.00 25.00 C ATOM 1021 O GLN A 62 1.849 15.706 14.808 1.00 25.00 O ATOM 1022 CB GLN A 62 3.666 16.478 12.207 1.00 25.00 C ATOM 1023 CG GLN A 62 2.620 17.059 11.261 1.00 25.00 C ATOM 1024 CD GLN A 62 2.104 18.402 11.740 1.00 25.00 C ATOM 1025 OE1 GLN A 62 1.468 18.545 12.793 1.00 25.00 O ATOM 1026 NE2 GLN A 62 2.336 19.393 10.924 1.00 25.00 N ATOM 0 H GLN A 62 3.375 14.258 11.029 1.00 25.00 H new ATOM 0 HA GLN A 62 3.957 14.978 13.711 1.00 25.00 H new ATOM 0 HB2 GLN A 62 3.914 17.228 12.958 1.00 25.00 H new ATOM 0 HB3 GLN A 62 4.577 16.278 11.642 1.00 25.00 H new ATOM 0 HG2 GLN A 62 3.053 17.171 10.267 1.00 25.00 H new ATOM 0 HG3 GLN A 62 1.787 16.362 11.170 1.00 25.00 H new ATOM 0 HE21 GLN A 62 2.864 19.234 10.066 1.00 25.00 H new ATOM 0 HE22 GLN A 62 1.989 20.327 11.144 1.00 25.00 H new ATOM 1035 N ALA A 63 0.780 14.982 12.974 1.00 25.00 N ATOM 1036 CA ALA A 63 -0.554 15.039 13.585 1.00 25.00 C ATOM 1037 C ALA A 63 -0.676 14.027 14.749 1.00 25.00 C ATOM 1038 O ALA A 63 -1.445 14.223 15.691 1.00 25.00 O ATOM 1039 CB ALA A 63 -1.611 14.738 12.515 1.00 25.00 C ATOM 0 H ALA A 63 0.785 14.639 12.013 1.00 25.00 H new ATOM 0 HA ALA A 63 -0.712 16.038 13.991 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -2.604 14.779 12.963 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -1.542 15.478 11.717 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -1.439 13.743 12.104 1.00 25.00 H new ATOM 1045 N ALA A 64 0.082 12.932 14.700 1.00 25.00 N ATOM 1046 CA ALA A 64 0.103 11.989 15.808 1.00 25.00 C ATOM 1047 C ALA A 64 1.049 12.496 16.933 1.00 25.00 C ATOM 1048 O ALA A 64 0.784 12.256 18.108 1.00 25.00 O ATOM 1049 CB ALA A 64 0.550 10.636 15.309 1.00 25.00 C ATOM 0 H ALA A 64 0.681 12.681 13.914 1.00 25.00 H new ATOM 0 HA ALA A 64 -0.901 11.901 16.224 1.00 25.00 H new ATOM 0 HB1 ALA A 64 0.566 9.929 16.139 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -0.143 10.283 14.545 1.00 25.00 H new ATOM 0 HB3 ALA A 64 1.550 10.718 14.883 1.00 25.00 H new ATOM 1055 N LEU A 65 2.155 13.157 16.552 1.00 25.00 N ATOM 1056 CA LEU A 65 3.197 13.577 17.516 1.00 25.00 C ATOM 1057 C LEU A 65 2.835 14.839 18.274 1.00 25.00 C ATOM 1058 O LEU A 65 3.202 14.925 19.422 1.00 25.00 O ATOM 1059 CB LEU A 65 4.551 13.877 16.805 1.00 25.00 C ATOM 1060 CG LEU A 65 5.349 12.679 16.321 1.00 25.00 C ATOM 1061 CD1 LEU A 65 6.437 13.160 15.386 1.00 25.00 C ATOM 1062 CD2 LEU A 65 5.931 11.860 17.413 1.00 25.00 C ATOM 0 H LEU A 65 2.354 13.414 15.585 1.00 25.00 H new ATOM 0 HA LEU A 65 3.281 12.736 18.205 1.00 25.00 H new ATOM 0 HB2 LEU A 65 4.350 14.520 15.948 1.00 25.00 H new ATOM 0 HB3 LEU A 65 5.177 14.447 17.492 1.00 25.00 H new ATOM 0 HG LEU A 65 4.653 12.020 15.802 1.00 25.00 H new ATOM 0 HD11 LEU A 65 7.016 12.307 15.033 1.00 25.00 H new ATOM 0 HD12 LEU A 65 5.986 13.670 14.535 1.00 25.00 H new ATOM 0 HD13 LEU A 65 7.094 13.850 15.916 1.00 25.00 H new ATOM 0 HD21 LEU A 65 6.485 11.024 16.985 1.00 25.00 H new ATOM 0 HD22 LEU A 65 6.605 12.475 18.010 1.00 25.00 H new ATOM 0 HD23 LEU A 65 5.131 11.478 18.047 1.00 25.00 H new ATOM 1074 N GLN A 66 2.207 15.805 17.612 1.00 25.00 N ATOM 1075 CA GLN A 66 1.846 17.087 18.207 1.00 25.00 C ATOM 1076 C GLN A 66 2.980 17.670 19.042 1.00 25.00 C ATOM 1077 O GLN A 66 2.807 18.108 20.169 1.00 25.00 O ATOM 1078 CB GLN A 66 0.624 16.885 19.061 1.00 25.00 C ATOM 1079 CG GLN A 66 -0.591 16.352 18.293 1.00 25.00 C ATOM 1080 CD GLN A 66 -1.291 17.386 17.463 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -1.165 17.432 16.268 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -2.015 18.246 18.093 1.00 25.00 N ATOM 0 H GLN A 66 1.931 15.718 16.634 1.00 25.00 H new ATOM 0 HA GLN A 66 1.643 17.800 17.407 1.00 25.00 H new ATOM 0 HB2 GLN A 66 0.866 16.190 19.865 1.00 25.00 H new ATOM 0 HB3 GLN A 66 0.359 17.833 19.528 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -0.269 15.538 17.644 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -1.301 15.931 19.005 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -2.108 18.189 19.107 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -2.495 18.984 17.578 1.00 25.00 H new ATOM 1091 N LYS A 67 4.150 17.693 18.426 1.00 25.00 N ATOM 1092 CA LYS A 67 5.337 18.216 19.090 1.00 25.00 C ATOM 1093 C LYS A 67 6.080 19.267 18.254 1.00 25.00 C ATOM 1094 O LYS A 67 7.335 19.300 18.236 1.00 25.00 O ATOM 1095 CB LYS A 67 6.262 17.026 19.453 1.00 25.00 C ATOM 1096 CG LYS A 67 5.869 16.316 20.705 1.00 25.00 C ATOM 1097 CD LYS A 67 6.732 15.091 20.959 1.00 25.00 C ATOM 1098 CE LYS A 67 6.530 14.513 22.346 1.00 25.00 C ATOM 1099 NZ LYS A 67 6.737 15.503 23.410 1.00 25.00 N ATOM 0 H LYS A 67 4.305 17.359 17.475 1.00 25.00 H new ATOM 0 HA LYS A 67 5.023 18.737 19.994 1.00 25.00 H new ATOM 0 HB2 LYS A 67 6.263 16.314 18.628 1.00 25.00 H new ATOM 0 HB3 LYS A 67 7.283 17.391 19.559 1.00 25.00 H new ATOM 0 HG2 LYS A 67 5.951 16.999 21.550 1.00 25.00 H new ATOM 0 HG3 LYS A 67 4.823 16.016 20.639 1.00 25.00 H new ATOM 0 HD2 LYS A 67 6.502 14.329 20.215 1.00 25.00 H new ATOM 0 HD3 LYS A 67 7.781 15.357 20.829 1.00 25.00 H new ATOM 0 HE2 LYS A 67 5.520 14.109 22.423 1.00 25.00 H new ATOM 0 HE3 LYS A 67 7.218 13.680 22.492 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 6.890 15.013 24.315 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 7.570 16.084 23.186 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 5.898 16.114 23.484 1.00 25.00 H new ATOM 1113 N GLN A 68 5.336 20.155 17.532 1.00 25.00 N ATOM 1114 CA GLN A 68 5.996 21.202 16.765 1.00 25.00 C ATOM 1115 C GLN A 68 6.259 22.383 17.737 1.00 25.00 C ATOM 1116 O GLN A 68 5.518 23.368 17.790 1.00 25.00 O ATOM 1117 CB GLN A 68 5.160 21.579 15.563 1.00 25.00 C ATOM 1118 CG GLN A 68 3.643 21.709 15.789 1.00 25.00 C ATOM 1119 CD GLN A 68 2.913 22.193 14.555 1.00 25.00 C ATOM 1120 OE1 GLN A 68 3.298 23.201 13.953 1.00 25.00 O ATOM 1121 NE2 GLN A 68 1.812 21.544 14.234 1.00 25.00 N ATOM 0 H GLN A 68 4.317 20.153 17.478 1.00 25.00 H new ATOM 0 HA GLN A 68 6.950 20.870 16.357 1.00 25.00 H new ATOM 0 HB2 GLN A 68 5.529 22.529 15.176 1.00 25.00 H new ATOM 0 HB3 GLN A 68 5.325 20.833 14.786 1.00 25.00 H new ATOM 0 HG2 GLN A 68 3.240 20.742 16.090 1.00 25.00 H new ATOM 0 HG3 GLN A 68 3.459 22.401 16.611 1.00 25.00 H new ATOM 0 HE21 GLN A 68 1.536 20.716 14.762 1.00 25.00 H new ATOM 0 HE22 GLN A 68 1.236 21.870 13.458 1.00 25.00 H new ATOM 1130 N GLN A 69 7.274 22.161 18.598 1.00 25.00 N ATOM 1131 CA GLN A 69 7.610 23.066 19.706 1.00 25.00 C ATOM 1132 C GLN A 69 9.041 23.554 19.575 1.00 25.00 C ATOM 1133 O GLN A 69 10.029 22.878 19.355 1.00 25.00 O ATOM 1134 CB GLN A 69 7.430 22.343 21.076 1.00 25.00 C ATOM 1135 CG GLN A 69 5.919 22.057 21.314 1.00 25.00 C ATOM 1136 CD GLN A 69 5.644 21.307 22.600 1.00 25.00 C ATOM 1137 OE1 GLN A 69 6.298 20.384 23.012 1.00 25.00 O ATOM 1138 NE2 GLN A 69 4.557 21.690 23.247 1.00 25.00 N ATOM 1139 OXT GLN A 69 9.118 24.823 19.775 1.00 25.00 O ATOM 0 H GLN A 69 7.883 21.345 18.540 1.00 25.00 H new ATOM 0 HA GLN A 69 6.935 23.921 19.663 1.00 25.00 H new ATOM 0 HB2 GLN A 69 7.994 21.410 21.084 1.00 25.00 H new ATOM 0 HB3 GLN A 69 7.826 22.962 21.881 1.00 25.00 H new ATOM 0 HG2 GLN A 69 5.376 23.002 21.330 1.00 25.00 H new ATOM 0 HG3 GLN A 69 5.530 21.480 20.475 1.00 25.00 H new ATOM 0 HE21 GLN A 69 4.004 22.472 22.897 1.00 25.00 H new ATOM 0 HE22 GLN A 69 4.271 21.203 24.097 1.00 25.00 H new TER 1149 GLN A 69