USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 814 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 79 ASN : amide:sc= -0.243! C(o=0.057!,f=-8.9!) USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= 0.299 F(o=-1.5,f=0.057) USER MOD Set 2.1: A 75 GLN : amide:sc= -0.132 K(o=-0.13,f=-5.2!) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.0769 (180deg=-0.433) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 14 ASN : amide:sc= -0.645 K(o=-0.64,f=-3.3!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.959 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0782 K(o=-0.078,f=-1.6) USER MOD Single : A 31 ASN : amide:sc= -4.46! C(o=-4.5!,f=-8.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.299 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc=-0.00182 X(o=-0.0018,f=-0.25) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 58 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0622 X(o=-0.062,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -6! C(o=-6!,f=-6.3!) USER MOD Single : A 67 GLN : amide:sc= -0.327 K(o=-0.33,f=-0.98) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.8!) USER MOD Single : A 84 THR OG1 : rot 50:sc= 0.241 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 95.694 0.984 4.831 1.00 0.00 N ATOM 2 CA ARG A 1 94.458 1.485 4.255 1.00 0.00 C ATOM 3 C ARG A 1 93.568 0.321 3.814 1.00 0.00 C ATOM 4 O ARG A 1 93.641 -0.121 2.668 1.00 0.00 O ATOM 5 CB ARG A 1 94.737 2.389 3.053 1.00 0.00 C ATOM 6 CG ARG A 1 93.935 3.688 3.146 1.00 0.00 C ATOM 7 CD ARG A 1 92.933 3.799 1.995 1.00 0.00 C ATOM 8 NE ARG A 1 92.765 5.216 1.604 1.00 0.00 N ATOM 9 CZ ARG A 1 91.987 6.097 2.268 1.00 0.00 C ATOM 10 NH1 ARG A 1 91.297 5.713 3.363 1.00 0.00 N ATOM 11 NH2 ARG A 1 91.910 7.340 1.830 1.00 0.00 N ATOM 0 H1 ARG A 1 96.289 1.784 5.126 1.00 0.00 H new ATOM 0 H2 ARG A 1 95.477 0.391 5.657 1.00 0.00 H new ATOM 0 H3 ARG A 1 96.203 0.417 4.122 1.00 0.00 H new ATOM 0 HA ARG A 1 93.947 2.067 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 1 95.802 2.617 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 1 94.481 1.865 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 1 93.406 3.725 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 1 94.614 4.541 3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 1 93.281 3.217 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 1 91.973 3.380 2.296 1.00 0.00 H new ATOM 0 HE ARG A 1 93.268 5.548 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 1 91.361 4.751 3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 1 90.712 6.385 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 1 92.434 7.622 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 1 91.327 8.018 2.320 1.00 0.00 H new ATOM 24 N LYS A 2 92.749 -0.143 4.746 1.00 0.00 N ATOM 25 CA LYS A 2 91.846 -1.247 4.468 1.00 0.00 C ATOM 26 C LYS A 2 90.488 -0.693 4.034 1.00 0.00 C ATOM 27 O LYS A 2 90.286 0.521 4.014 1.00 0.00 O ATOM 28 CB LYS A 2 91.769 -2.192 5.668 1.00 0.00 C ATOM 29 CG LYS A 2 92.024 -3.640 5.243 1.00 0.00 C ATOM 30 CD LYS A 2 92.645 -4.445 6.386 1.00 0.00 C ATOM 31 CE LYS A 2 94.141 -4.666 6.151 1.00 0.00 C ATOM 32 NZ LYS A 2 94.556 -5.992 6.662 1.00 0.00 N ATOM 0 H LYS A 2 92.692 0.226 5.695 1.00 0.00 H new ATOM 0 HA LYS A 2 92.224 -1.849 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 2 92.503 -1.895 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 2 90.787 -2.114 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 2 91.087 -4.103 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 2 92.688 -3.658 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 2 92.495 -3.920 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 2 92.141 -5.407 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 2 94.362 -4.595 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 2 94.713 -3.883 6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 95.574 -6.126 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 94.363 -6.047 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 94.023 -6.736 6.168 1.00 0.00 H new ATOM 45 N LEU A 3 89.592 -1.608 3.696 1.00 0.00 N ATOM 46 CA LEU A 3 88.258 -1.226 3.263 1.00 0.00 C ATOM 47 C LEU A 3 87.743 -0.094 4.154 1.00 0.00 C ATOM 48 O LEU A 3 87.662 -0.245 5.372 1.00 0.00 O ATOM 49 CB LEU A 3 87.337 -2.447 3.225 1.00 0.00 C ATOM 50 CG LEU A 3 86.925 -3.019 4.583 1.00 0.00 C ATOM 51 CD1 LEU A 3 85.738 -3.973 4.439 1.00 0.00 C ATOM 52 CD2 LEU A 3 88.114 -3.684 5.280 1.00 0.00 C ATOM 0 H LEU A 3 89.763 -2.613 3.713 1.00 0.00 H new ATOM 0 HA LEU A 3 88.283 -0.843 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 3 86.434 -2.179 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 3 87.833 -3.234 2.657 1.00 0.00 H new ATOM 0 HG LEU A 3 86.599 -2.194 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 3 85.466 -4.365 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 3 84.890 -3.437 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 3 86.012 -4.798 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 3 87.795 -4.082 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 3 88.492 -4.496 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 3 88.903 -2.948 5.435 1.00 0.00 H new ATOM 64 N GLU A 4 87.406 1.015 3.512 1.00 0.00 N ATOM 65 CA GLU A 4 86.900 2.172 4.231 1.00 0.00 C ATOM 66 C GLU A 4 85.528 2.576 3.688 1.00 0.00 C ATOM 67 O GLU A 4 85.087 2.063 2.661 1.00 0.00 O ATOM 68 CB GLU A 4 87.886 3.340 4.154 1.00 0.00 C ATOM 69 CG GLU A 4 88.477 3.650 5.531 1.00 0.00 C ATOM 70 CD GLU A 4 87.487 4.442 6.387 1.00 0.00 C ATOM 71 OE1 GLU A 4 87.222 5.619 6.100 1.00 0.00 O ATOM 72 OE2 GLU A 4 86.984 3.792 7.381 1.00 0.00 O ATOM 0 H GLU A 4 87.473 1.137 2.502 1.00 0.00 H new ATOM 0 HA GLU A 4 86.788 1.902 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 4 88.688 3.098 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 4 87.380 4.223 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 4 88.738 2.720 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 4 89.399 4.219 5.415 1.00 0.00 H new ATOM 80 N LEU A 5 84.891 3.493 4.402 1.00 0.00 N ATOM 81 CA LEU A 5 83.579 3.972 4.005 1.00 0.00 C ATOM 82 C LEU A 5 83.595 4.314 2.514 1.00 0.00 C ATOM 83 O LEU A 5 84.394 5.138 2.071 1.00 0.00 O ATOM 84 CB LEU A 5 83.139 5.134 4.898 1.00 0.00 C ATOM 85 CG LEU A 5 81.829 5.822 4.508 1.00 0.00 C ATOM 86 CD1 LEU A 5 80.732 5.533 5.535 1.00 0.00 C ATOM 87 CD2 LEU A 5 82.039 7.323 4.300 1.00 0.00 C ATOM 0 H LEU A 5 85.260 3.917 5.253 1.00 0.00 H new ATOM 0 HA LEU A 5 82.831 3.192 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 5 83.042 4.765 5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 5 83.932 5.882 4.903 1.00 0.00 H new ATOM 0 HG LEU A 5 81.496 5.409 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 5 79.811 6.033 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.559 4.458 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 5 81.043 5.901 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.093 7.788 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.407 7.770 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 5 82.767 7.482 3.505 1.00 0.00 H new ATOM 99 N THR A 6 82.703 3.664 1.781 1.00 0.00 N ATOM 100 CA THR A 6 82.605 3.889 0.349 1.00 0.00 C ATOM 101 C THR A 6 81.163 4.220 -0.041 1.00 0.00 C ATOM 102 O THR A 6 80.220 3.704 0.557 1.00 0.00 O ATOM 103 CB THR A 6 83.158 2.654 -0.363 1.00 0.00 C ATOM 104 OG1 THR A 6 83.127 3.005 -1.744 1.00 0.00 O ATOM 105 CG2 THR A 6 82.218 1.450 -0.264 1.00 0.00 C ATOM 0 H THR A 6 82.042 2.982 2.152 1.00 0.00 H new ATOM 0 HA THR A 6 83.198 4.751 0.043 1.00 0.00 H new ATOM 0 HB THR A 6 84.127 2.394 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 6 83.471 2.259 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 6 82.659 0.601 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 6 82.066 1.193 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 6 81.259 1.698 -0.720 1.00 0.00 H new ATOM 113 N LYS A 7 81.037 5.079 -1.042 1.00 0.00 N ATOM 114 CA LYS A 7 79.726 5.485 -1.519 1.00 0.00 C ATOM 115 C LYS A 7 78.722 5.406 -0.368 1.00 0.00 C ATOM 116 O LYS A 7 77.989 4.426 -0.244 1.00 0.00 O ATOM 117 CB LYS A 7 79.322 4.662 -2.744 1.00 0.00 C ATOM 118 CG LYS A 7 80.536 4.362 -3.627 1.00 0.00 C ATOM 119 CD LYS A 7 80.278 4.783 -5.075 1.00 0.00 C ATOM 120 CE LYS A 7 79.482 3.712 -5.824 1.00 0.00 C ATOM 121 NZ LYS A 7 80.308 2.501 -6.029 1.00 0.00 N ATOM 0 H LYS A 7 81.821 5.505 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 7 79.748 6.522 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 7 78.861 3.728 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 7 78.573 5.205 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 7 81.409 4.888 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 7 80.763 3.297 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 7 79.731 5.726 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 7 81.227 4.956 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 7 78.585 3.456 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 7 79.153 4.102 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 79.947 1.969 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 81.294 2.779 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 80.264 1.903 -5.179 1.00 0.00 H new ATOM 134 N ALA A 8 78.720 6.452 0.447 1.00 0.00 N ATOM 135 CA ALA A 8 77.818 6.513 1.584 1.00 0.00 C ATOM 136 C ALA A 8 77.166 7.896 1.638 1.00 0.00 C ATOM 137 O ALA A 8 75.954 8.008 1.813 1.00 0.00 O ATOM 138 CB ALA A 8 78.587 6.180 2.864 1.00 0.00 C ATOM 0 H ALA A 8 79.329 7.263 0.342 1.00 0.00 H new ATOM 0 HA ALA A 8 77.021 5.777 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 8 77.910 6.226 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 8 79.006 5.177 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 8 79.394 6.900 3.002 1.00 0.00 H new ATOM 144 N GLU A 9 78.000 8.914 1.485 1.00 0.00 N ATOM 145 CA GLU A 9 77.519 10.285 1.515 1.00 0.00 C ATOM 146 C GLU A 9 77.099 10.670 2.934 1.00 0.00 C ATOM 147 O GLU A 9 77.862 10.490 3.882 1.00 0.00 O ATOM 148 CB GLU A 9 76.366 10.484 0.528 1.00 0.00 C ATOM 149 CG GLU A 9 76.746 9.982 -0.867 1.00 0.00 C ATOM 150 CD GLU A 9 75.549 9.324 -1.557 1.00 0.00 C ATOM 151 OE1 GLU A 9 74.396 9.687 -1.278 1.00 0.00 O ATOM 152 OE2 GLU A 9 75.850 8.405 -2.411 1.00 0.00 O ATOM 0 H GLU A 9 79.005 8.817 1.340 1.00 0.00 H new ATOM 0 HA GLU A 9 78.333 10.941 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.483 9.952 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 9 76.103 11.541 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 9 77.106 10.814 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 9 77.564 9.266 -0.790 1.00 0.00 H new ATOM 160 N LYS A 10 75.885 11.193 3.037 1.00 0.00 N ATOM 161 CA LYS A 10 75.354 11.604 4.325 1.00 0.00 C ATOM 162 C LYS A 10 74.586 10.438 4.951 1.00 0.00 C ATOM 163 O LYS A 10 73.586 10.646 5.636 1.00 0.00 O ATOM 164 CB LYS A 10 74.522 12.880 4.178 1.00 0.00 C ATOM 165 CG LYS A 10 73.397 12.688 3.160 1.00 0.00 C ATOM 166 CD LYS A 10 72.104 13.350 3.640 1.00 0.00 C ATOM 167 CE LYS A 10 71.809 14.620 2.840 1.00 0.00 C ATOM 168 NZ LYS A 10 71.019 15.572 3.652 1.00 0.00 N ATOM 0 H LYS A 10 75.255 11.341 2.249 1.00 0.00 H new ATOM 0 HA LYS A 10 76.165 11.856 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 10 74.099 13.156 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 10 75.164 13.703 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 10 73.693 13.113 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 10 73.226 11.624 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 10 71.274 12.651 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 10 72.188 13.594 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 10 72.744 15.086 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.262 14.366 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 70.827 16.429 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 70.119 15.130 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.555 15.828 4.506 1.00 0.00 H new ATOM 181 N HIS A 11 75.083 9.238 4.693 1.00 0.00 N ATOM 182 CA HIS A 11 74.456 8.039 5.223 1.00 0.00 C ATOM 183 C HIS A 11 73.070 7.866 4.599 1.00 0.00 C ATOM 184 O HIS A 11 72.461 8.837 4.152 1.00 0.00 O ATOM 185 CB HIS A 11 74.418 8.076 6.752 1.00 0.00 C ATOM 186 CG HIS A 11 75.707 7.643 7.409 1.00 0.00 C ATOM 187 ND1 HIS A 11 76.801 8.480 7.537 1.00 0.00 N ATOM 188 CD2 HIS A 11 76.064 6.454 7.974 1.00 0.00 C ATOM 189 CE1 HIS A 11 77.768 7.814 8.152 1.00 0.00 C ATOM 190 NE2 HIS A 11 77.309 6.558 8.421 1.00 0.00 N ATOM 0 H HIS A 11 75.913 9.070 4.124 1.00 0.00 H new ATOM 0 HA HIS A 11 75.049 7.165 4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 11 74.180 9.090 7.075 1.00 0.00 H new ATOM 0 HB3 HIS A 11 73.610 7.433 7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 11 75.439 5.576 8.045 1.00 0.00 H new ATOM 0 HE1 HIS A 11 78.747 8.198 8.397 1.00 0.00 H new ATOM 0 HE2 HIS A 11 77.836 5.820 8.889 1.00 0.00 H new ATOM 198 N VAL A 12 72.611 6.623 4.590 1.00 0.00 N ATOM 199 CA VAL A 12 71.308 6.311 4.029 1.00 0.00 C ATOM 200 C VAL A 12 70.740 5.073 4.726 1.00 0.00 C ATOM 201 O VAL A 12 71.315 3.989 4.640 1.00 0.00 O ATOM 202 CB VAL A 12 71.418 6.144 2.512 1.00 0.00 C ATOM 203 CG1 VAL A 12 70.064 6.370 1.836 1.00 0.00 C ATOM 204 CG2 VAL A 12 72.482 7.078 1.933 1.00 0.00 C ATOM 0 H VAL A 12 73.118 5.820 4.962 1.00 0.00 H new ATOM 0 HA VAL A 12 70.611 7.131 4.203 1.00 0.00 H new ATOM 0 HB VAL A 12 71.727 5.118 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 12 70.170 6.245 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 12 69.343 5.647 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 12 69.714 7.379 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 12 72.540 6.939 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 12 72.216 8.112 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 12 73.449 6.849 2.380 1.00 0.00 H new ATOM 214 N HIS A 13 69.619 5.276 5.402 1.00 0.00 N ATOM 215 CA HIS A 13 68.967 4.190 6.114 1.00 0.00 C ATOM 216 C HIS A 13 67.497 4.542 6.352 1.00 0.00 C ATOM 217 O HIS A 13 66.605 3.779 5.983 1.00 0.00 O ATOM 218 CB HIS A 13 69.715 3.862 7.408 1.00 0.00 C ATOM 219 CG HIS A 13 69.181 2.653 8.137 1.00 0.00 C ATOM 220 ND1 HIS A 13 69.059 1.411 7.540 1.00 0.00 N ATOM 221 CD2 HIS A 13 68.739 2.509 9.419 1.00 0.00 C ATOM 222 CE1 HIS A 13 68.564 0.565 8.431 1.00 0.00 C ATOM 223 NE2 HIS A 13 68.366 1.247 9.595 1.00 0.00 N ATOM 0 H HIS A 13 69.145 6.177 5.472 1.00 0.00 H new ATOM 0 HA HIS A 13 68.994 3.285 5.508 1.00 0.00 H new ATOM 0 HB2 HIS A 13 70.767 3.698 7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 13 69.666 4.725 8.072 1.00 0.00 H new ATOM 0 HD2 HIS A 13 68.699 3.289 10.165 1.00 0.00 H new ATOM 0 HE1 HIS A 13 68.354 -0.481 8.265 1.00 0.00 H new ATOM 0 HE2 HIS A 13 67.993 0.853 10.459 1.00 0.00 H new ATOM 231 N ASN A 14 67.290 5.697 6.968 1.00 0.00 N ATOM 232 CA ASN A 14 65.944 6.159 7.259 1.00 0.00 C ATOM 233 C ASN A 14 65.589 7.310 6.317 1.00 0.00 C ATOM 234 O ASN A 14 66.099 8.420 6.467 1.00 0.00 O ATOM 235 CB ASN A 14 65.838 6.673 8.696 1.00 0.00 C ATOM 236 CG ASN A 14 64.907 5.789 9.528 1.00 0.00 C ATOM 237 OD1 ASN A 14 64.142 4.991 9.013 1.00 0.00 O ATOM 238 ND2 ASN A 14 65.014 5.975 10.841 1.00 0.00 N ATOM 0 H ASN A 14 68.032 6.326 7.273 1.00 0.00 H new ATOM 0 HA ASN A 14 65.262 5.319 7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 14 66.828 6.695 9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 14 65.466 7.697 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 14 64.435 5.433 11.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 65.675 6.660 11.207 1.00 0.00 H new ATOM 245 N PHE A 15 64.718 7.007 5.366 1.00 0.00 N ATOM 246 CA PHE A 15 64.289 8.003 4.399 1.00 0.00 C ATOM 247 C PHE A 15 62.819 8.373 4.608 1.00 0.00 C ATOM 248 O PHE A 15 62.467 9.552 4.614 1.00 0.00 O ATOM 249 CB PHE A 15 64.453 7.380 3.011 1.00 0.00 C ATOM 250 CG PHE A 15 65.096 8.312 1.982 1.00 0.00 C ATOM 251 CD1 PHE A 15 66.420 8.610 2.067 1.00 0.00 C ATOM 252 CD2 PHE A 15 64.342 8.844 0.982 1.00 0.00 C ATOM 253 CE1 PHE A 15 67.016 9.475 1.112 1.00 0.00 C ATOM 254 CE2 PHE A 15 64.939 9.709 0.027 1.00 0.00 C ATOM 255 CZ PHE A 15 66.263 10.006 0.112 1.00 0.00 C ATOM 0 H PHE A 15 64.298 6.086 5.244 1.00 0.00 H new ATOM 0 HA PHE A 15 64.884 8.910 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 15 65.059 6.478 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 15 63.474 7.071 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 15 67.018 8.189 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 15 63.290 8.609 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 15 68.068 9.711 1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.341 10.131 -0.767 1.00 0.00 H new ATOM 0 HZ PHE A 15 66.717 10.664 -0.615 1.00 0.00 H new ATOM 265 N MET A 16 62.001 7.344 4.774 1.00 0.00 N ATOM 266 CA MET A 16 60.578 7.546 4.983 1.00 0.00 C ATOM 267 C MET A 16 60.082 6.749 6.192 1.00 0.00 C ATOM 268 O MET A 16 59.064 6.064 6.112 1.00 0.00 O ATOM 269 CB MET A 16 59.811 7.109 3.734 1.00 0.00 C ATOM 270 CG MET A 16 60.170 5.673 3.345 1.00 0.00 C ATOM 271 SD MET A 16 59.398 5.250 1.792 1.00 0.00 S ATOM 272 CE MET A 16 60.823 5.287 0.717 1.00 0.00 C ATOM 0 H MET A 16 62.297 6.368 4.768 1.00 0.00 H new ATOM 0 HA MET A 16 60.405 8.605 5.174 1.00 0.00 H new ATOM 0 HB2 MET A 16 58.739 7.183 3.917 1.00 0.00 H new ATOM 0 HB3 MET A 16 60.041 7.782 2.908 1.00 0.00 H new ATOM 0 HG2 MET A 16 61.252 5.569 3.263 1.00 0.00 H new ATOM 0 HG3 MET A 16 59.842 4.984 4.123 1.00 0.00 H new ATOM 0 HE1 MET A 16 60.518 5.044 -0.301 1.00 0.00 H new ATOM 0 HE2 MET A 16 61.266 6.283 0.734 1.00 0.00 H new ATOM 0 HE3 MET A 16 61.557 4.557 1.060 1.00 0.00 H new ATOM 282 N MET A 17 60.825 6.865 7.282 1.00 0.00 N ATOM 283 CA MET A 17 60.474 6.164 8.505 1.00 0.00 C ATOM 284 C MET A 17 58.970 6.247 8.773 1.00 0.00 C ATOM 285 O MET A 17 58.323 5.231 9.020 1.00 0.00 O ATOM 286 CB MET A 17 61.237 6.777 9.682 1.00 0.00 C ATOM 287 CG MET A 17 61.120 8.302 9.676 1.00 0.00 C ATOM 288 SD MET A 17 59.869 8.823 10.838 1.00 0.00 S ATOM 289 CE MET A 17 60.891 9.165 12.261 1.00 0.00 C ATOM 0 H MET A 17 61.669 7.434 7.344 1.00 0.00 H new ATOM 0 HA MET A 17 60.746 5.115 8.391 1.00 0.00 H new ATOM 0 HB2 MET A 17 60.845 6.382 10.619 1.00 0.00 H new ATOM 0 HB3 MET A 17 62.287 6.489 9.629 1.00 0.00 H new ATOM 0 HG2 MET A 17 62.079 8.750 9.937 1.00 0.00 H new ATOM 0 HG3 MET A 17 60.867 8.652 8.675 1.00 0.00 H new ATOM 0 HE1 MET A 17 60.264 9.505 13.086 1.00 0.00 H new ATOM 0 HE2 MET A 17 61.419 8.258 12.556 1.00 0.00 H new ATOM 0 HE3 MET A 17 61.614 9.941 12.011 1.00 0.00 H new ATOM 299 N ASP A 18 58.458 7.468 8.714 1.00 0.00 N ATOM 300 CA ASP A 18 57.042 7.697 8.947 1.00 0.00 C ATOM 301 C ASP A 18 56.557 8.828 8.039 1.00 0.00 C ATOM 302 O ASP A 18 56.683 10.002 8.382 1.00 0.00 O ATOM 303 CB ASP A 18 56.782 8.109 10.397 1.00 0.00 C ATOM 304 CG ASP A 18 55.306 8.257 10.772 1.00 0.00 C ATOM 305 OD1 ASP A 18 54.518 7.306 10.652 1.00 0.00 O ATOM 306 OD2 ASP A 18 54.968 9.422 11.211 1.00 0.00 O ATOM 0 H ASP A 18 58.998 8.308 8.508 1.00 0.00 H new ATOM 0 HA ASP A 18 56.511 6.769 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 18 57.236 7.369 11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 18 57.286 9.057 10.586 1.00 0.00 H new ATOM 312 N THR A 19 56.011 8.435 6.897 1.00 0.00 N ATOM 313 CA THR A 19 55.506 9.402 5.937 1.00 0.00 C ATOM 314 C THR A 19 54.742 8.692 4.817 1.00 0.00 C ATOM 315 O THR A 19 53.685 9.156 4.392 1.00 0.00 O ATOM 316 CB THR A 19 56.690 10.231 5.434 1.00 0.00 C ATOM 317 OG1 THR A 19 56.236 10.768 4.194 1.00 0.00 O ATOM 318 CG2 THR A 19 57.890 9.364 5.047 1.00 0.00 C ATOM 0 H THR A 19 55.907 7.460 6.615 1.00 0.00 H new ATOM 0 HA THR A 19 54.788 10.080 6.398 1.00 0.00 H new ATOM 0 HB THR A 19 56.989 10.941 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 19 56.942 11.321 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 19 58.702 10.002 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 19 58.223 8.796 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 19 57.601 8.676 4.252 1.00 0.00 H new ATOM 326 N GLN A 20 55.306 7.579 4.372 1.00 0.00 N ATOM 327 CA GLN A 20 54.691 6.801 3.311 1.00 0.00 C ATOM 328 C GLN A 20 55.266 5.384 3.290 1.00 0.00 C ATOM 329 O GLN A 20 55.907 4.984 2.319 1.00 0.00 O ATOM 330 CB GLN A 20 54.870 7.486 1.954 1.00 0.00 C ATOM 331 CG GLN A 20 53.548 7.536 1.186 1.00 0.00 C ATOM 332 CD GLN A 20 53.776 7.945 -0.271 1.00 0.00 C ATOM 333 OE1 GLN A 20 54.878 7.891 -0.793 1.00 0.00 O ATOM 334 NE2 GLN A 20 52.676 8.356 -0.896 1.00 0.00 N ATOM 0 H GLN A 20 56.183 7.197 4.727 1.00 0.00 H new ATOM 0 HA GLN A 20 53.621 6.735 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 20 55.248 8.498 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 20 55.615 6.949 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 20 53.065 6.560 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 20 52.872 8.244 1.665 1.00 0.00 H new ATOM 0 HE21 GLN A 20 51.785 8.377 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN A 20 52.724 8.651 -1.871 1.00 0.00 H new ATOM 343 N LEU A 21 55.016 4.662 4.372 1.00 0.00 N ATOM 344 CA LEU A 21 55.501 3.297 4.490 1.00 0.00 C ATOM 345 C LEU A 21 55.137 2.520 3.224 1.00 0.00 C ATOM 346 O LEU A 21 55.976 2.330 2.345 1.00 0.00 O ATOM 347 CB LEU A 21 54.981 2.654 5.778 1.00 0.00 C ATOM 348 CG LEU A 21 55.795 2.933 7.043 1.00 0.00 C ATOM 349 CD1 LEU A 21 55.264 4.167 7.775 1.00 0.00 C ATOM 350 CD2 LEU A 21 55.837 1.702 7.951 1.00 0.00 C ATOM 0 H LEU A 21 54.484 4.996 5.175 1.00 0.00 H new ATOM 0 HA LEU A 21 56.588 3.284 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 21 53.959 2.996 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 21 54.936 1.575 5.629 1.00 0.00 H new ATOM 0 HG LEU A 21 56.822 3.150 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 21 55.860 4.343 8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 55.329 5.035 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 21 54.224 4.003 8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 21 56.422 1.927 8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 21 54.822 1.429 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 21 56.297 0.871 7.416 1.00 0.00 H new ATOM 362 N THR A 22 53.884 2.091 3.171 1.00 0.00 N ATOM 363 CA THR A 22 53.399 1.339 2.026 1.00 0.00 C ATOM 364 C THR A 22 51.870 1.370 1.977 1.00 0.00 C ATOM 365 O THR A 22 51.242 0.431 1.490 1.00 0.00 O ATOM 366 CB THR A 22 53.975 -0.076 2.112 1.00 0.00 C ATOM 367 OG1 THR A 22 53.566 -0.692 0.894 1.00 0.00 O ATOM 368 CG2 THR A 22 53.303 -0.917 3.199 1.00 0.00 C ATOM 0 H THR A 22 53.191 2.250 3.902 1.00 0.00 H new ATOM 0 HA THR A 22 53.732 1.785 1.089 1.00 0.00 H new ATOM 0 HB THR A 22 55.046 -0.020 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 22 52.631 -0.463 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 22 53.749 -1.911 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 22 53.443 -0.438 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 22 52.237 -1.001 2.987 1.00 0.00 H new ATOM 376 N LYS A 23 51.316 2.460 2.487 1.00 0.00 N ATOM 377 CA LYS A 23 49.872 2.626 2.507 1.00 0.00 C ATOM 378 C LYS A 23 49.418 3.261 1.192 1.00 0.00 C ATOM 379 O LYS A 23 50.107 4.120 0.643 1.00 0.00 O ATOM 380 CB LYS A 23 49.440 3.408 3.750 1.00 0.00 C ATOM 381 CG LYS A 23 49.375 4.908 3.458 1.00 0.00 C ATOM 382 CD LYS A 23 49.855 5.722 4.662 1.00 0.00 C ATOM 383 CE LYS A 23 48.673 6.332 5.417 1.00 0.00 C ATOM 384 NZ LYS A 23 48.970 7.730 5.802 1.00 0.00 N ATOM 0 H LYS A 23 51.840 3.237 2.889 1.00 0.00 H new ATOM 0 HA LYS A 23 49.378 1.657 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 23 48.464 3.056 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 23 50.142 3.222 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 23 49.991 5.140 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.352 5.190 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 23 50.429 5.082 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 23 50.525 6.514 4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 23 47.780 6.302 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 23 48.459 5.741 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 48.157 8.129 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 49.809 7.750 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 49.152 8.294 4.948 1.00 0.00 H new ATOM 397 N ARG A 24 48.262 2.815 0.724 1.00 0.00 N ATOM 398 CA ARG A 24 47.707 3.329 -0.516 1.00 0.00 C ATOM 399 C ARG A 24 46.276 3.824 -0.294 1.00 0.00 C ATOM 400 O ARG A 24 45.603 3.386 0.637 1.00 0.00 O ATOM 401 CB ARG A 24 47.705 2.255 -1.606 1.00 0.00 C ATOM 402 CG ARG A 24 46.683 1.160 -1.294 1.00 0.00 C ATOM 403 CD ARG A 24 47.373 -0.188 -1.075 1.00 0.00 C ATOM 404 NE ARG A 24 47.054 -1.106 -2.191 1.00 0.00 N ATOM 405 CZ ARG A 24 47.767 -1.184 -3.335 1.00 0.00 C ATOM 406 NH1 ARG A 24 48.848 -0.398 -3.523 1.00 0.00 N ATOM 407 NH2 ARG A 24 47.392 -2.041 -4.266 1.00 0.00 N ATOM 0 H ARG A 24 47.694 2.102 1.182 1.00 0.00 H new ATOM 0 HA ARG A 24 48.335 4.159 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 24 47.474 2.710 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 24 48.699 1.816 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 24 46.115 1.431 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 24 45.970 1.079 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 24 48.452 -0.047 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 24 47.047 -0.624 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 24 46.245 -1.718 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 24 49.132 0.261 -2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 24 49.381 -0.463 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 24 46.574 -2.632 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 24 47.920 -2.112 -5.136 1.00 0.00 H new ATOM 420 N VAL A 25 45.855 4.729 -1.165 1.00 0.00 N ATOM 421 CA VAL A 25 44.517 5.287 -1.075 1.00 0.00 C ATOM 422 C VAL A 25 44.170 5.537 0.394 1.00 0.00 C ATOM 423 O VAL A 25 43.072 5.211 0.841 1.00 0.00 O ATOM 424 CB VAL A 25 43.517 4.365 -1.776 1.00 0.00 C ATOM 425 CG1 VAL A 25 43.711 2.912 -1.338 1.00 0.00 C ATOM 426 CG2 VAL A 25 42.079 4.826 -1.528 1.00 0.00 C ATOM 0 H VAL A 25 46.417 5.090 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 25 44.469 6.247 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 25 43.705 4.419 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 25 42.988 2.278 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 25 44.721 2.588 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 25 43.563 2.834 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 25 41.388 4.154 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 25 41.873 4.815 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 25 41.950 5.838 -1.912 1.00 0.00 H new ATOM 436 N LYS A 26 45.129 6.114 1.105 1.00 0.00 N ATOM 437 CA LYS A 26 44.939 6.412 2.514 1.00 0.00 C ATOM 438 C LYS A 26 44.796 5.103 3.293 1.00 0.00 C ATOM 439 O LYS A 26 43.840 4.926 4.047 1.00 0.00 O ATOM 440 CB LYS A 26 43.764 7.373 2.706 1.00 0.00 C ATOM 441 CG LYS A 26 43.790 8.000 4.101 1.00 0.00 C ATOM 442 CD LYS A 26 45.140 8.665 4.378 1.00 0.00 C ATOM 443 CE LYS A 26 44.980 9.857 5.324 1.00 0.00 C ATOM 444 NZ LYS A 26 45.940 10.928 4.975 1.00 0.00 N ATOM 0 H LYS A 26 46.039 6.383 0.731 1.00 0.00 H new ATOM 0 HA LYS A 26 45.811 6.929 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.804 8.157 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.825 6.838 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.993 8.738 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 26 43.597 7.234 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 26 45.824 7.938 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 26 45.585 8.998 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.961 10.241 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 26 45.142 9.536 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 45.818 11.729 5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 46.911 10.563 5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 45.767 11.245 4.000 1.00 0.00 H new ATOM 457 N ASN A 27 45.759 4.218 3.083 1.00 0.00 N ATOM 458 CA ASN A 27 45.752 2.930 3.756 1.00 0.00 C ATOM 459 C ASN A 27 44.444 2.202 3.441 1.00 0.00 C ATOM 460 O ASN A 27 43.665 1.900 4.344 1.00 0.00 O ATOM 461 CB ASN A 27 45.845 3.101 5.273 1.00 0.00 C ATOM 462 CG ASN A 27 46.164 1.770 5.956 1.00 0.00 C ATOM 463 OD1 ASN A 27 46.387 0.753 5.319 1.00 0.00 O ATOM 464 ND2 ASN A 27 46.174 1.832 7.285 1.00 0.00 N ATOM 0 H ASN A 27 46.550 4.367 2.456 1.00 0.00 H new ATOM 0 HA ASN A 27 46.612 2.361 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 27 46.617 3.832 5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 27 44.904 3.494 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 27 46.377 0.996 7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 27 45.979 2.716 7.756 1.00 0.00 H new ATOM 471 N ALA A 28 44.243 1.942 2.158 1.00 0.00 N ATOM 472 CA ALA A 28 43.042 1.255 1.713 1.00 0.00 C ATOM 473 C ALA A 28 41.831 2.166 1.925 1.00 0.00 C ATOM 474 O ALA A 28 40.691 1.738 1.752 1.00 0.00 O ATOM 475 CB ALA A 28 42.909 -0.075 2.457 1.00 0.00 C ATOM 0 H ALA A 28 44.891 2.194 1.412 1.00 0.00 H new ATOM 0 HA ALA A 28 43.101 1.028 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.008 -0.590 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.780 -0.696 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 28 42.844 0.113 3.529 1.00 0.00 H new ATOM 481 N ALA A 29 42.120 3.404 2.296 1.00 0.00 N ATOM 482 CA ALA A 29 41.068 4.379 2.533 1.00 0.00 C ATOM 483 C ALA A 29 40.610 4.284 3.990 1.00 0.00 C ATOM 484 O ALA A 29 39.839 5.120 4.457 1.00 0.00 O ATOM 485 CB ALA A 29 39.924 4.146 1.545 1.00 0.00 C ATOM 0 H ALA A 29 43.067 3.755 2.438 1.00 0.00 H new ATOM 0 HA ALA A 29 41.438 5.391 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.135 4.877 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.296 4.254 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 29 39.525 3.141 1.681 1.00 0.00 H new ATOM 491 N ALA A 30 41.103 3.257 4.666 1.00 0.00 N ATOM 492 CA ALA A 30 40.754 3.042 6.060 1.00 0.00 C ATOM 493 C ALA A 30 39.252 3.268 6.245 1.00 0.00 C ATOM 494 O ALA A 30 38.459 2.339 6.107 1.00 0.00 O ATOM 495 CB ALA A 30 41.597 3.962 6.946 1.00 0.00 C ATOM 0 H ALA A 30 41.741 2.565 4.274 1.00 0.00 H new ATOM 0 HA ALA A 30 40.972 2.016 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.335 3.800 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.654 3.741 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.403 5.001 6.680 1.00 0.00 H new ATOM 501 N ASN A 31 38.908 4.510 6.556 1.00 0.00 N ATOM 502 CA ASN A 31 37.515 4.870 6.762 1.00 0.00 C ATOM 503 C ASN A 31 37.239 6.221 6.098 1.00 0.00 C ATOM 504 O ASN A 31 36.307 6.926 6.482 1.00 0.00 O ATOM 505 CB ASN A 31 37.195 5.002 8.252 1.00 0.00 C ATOM 506 CG ASN A 31 36.227 3.907 8.704 1.00 0.00 C ATOM 507 OD1 ASN A 31 35.345 3.483 7.976 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.441 3.474 9.944 1.00 0.00 N ATOM 0 H ASN A 31 39.569 5.278 6.670 1.00 0.00 H new ATOM 0 HA ASN A 31 36.896 4.085 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.116 4.941 8.832 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.759 5.982 8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.848 2.744 10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.198 3.872 10.500 1.00 0.00 H new ATOM 515 N VAL A 32 38.066 6.540 5.113 1.00 0.00 N ATOM 516 CA VAL A 32 37.923 7.793 4.392 1.00 0.00 C ATOM 517 C VAL A 32 37.586 8.910 5.382 1.00 0.00 C ATOM 518 O VAL A 32 36.960 9.903 5.014 1.00 0.00 O ATOM 519 CB VAL A 32 36.879 7.643 3.284 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.575 8.992 2.630 1.00 0.00 C ATOM 521 CG2 VAL A 32 37.331 6.618 2.241 1.00 0.00 C ATOM 0 H VAL A 32 38.837 5.952 4.797 1.00 0.00 H new ATOM 0 HA VAL A 32 38.860 8.062 3.904 1.00 0.00 H new ATOM 0 HB VAL A 32 35.959 7.276 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.830 8.857 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 32 36.190 9.682 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.488 9.400 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 32 36.571 6.530 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 32 38.271 6.943 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 32 37.473 5.650 2.721 1.00 0.00 H new ATOM 531 N LEU A 33 38.017 8.711 6.619 1.00 0.00 N ATOM 532 CA LEU A 33 37.770 9.689 7.665 1.00 0.00 C ATOM 533 C LEU A 33 36.272 9.731 7.973 1.00 0.00 C ATOM 534 O LEU A 33 35.858 9.454 9.098 1.00 0.00 O ATOM 535 CB LEU A 33 38.355 11.048 7.276 1.00 0.00 C ATOM 536 CG LEU A 33 39.663 11.437 7.968 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.796 11.592 6.952 1.00 0.00 C ATOM 538 CD2 LEU A 33 39.480 12.696 8.819 1.00 0.00 C ATOM 0 H LEU A 33 38.536 7.886 6.921 1.00 0.00 H new ATOM 0 HA LEU A 33 38.278 9.400 8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 33 38.521 11.055 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 33 37.612 11.816 7.489 1.00 0.00 H new ATOM 0 HG LEU A 33 39.945 10.630 8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.714 11.869 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 40.946 10.648 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.537 12.369 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.425 12.951 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.162 13.522 8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.723 12.513 9.581 1.00 0.00 H new ATOM 550 N ARG A 34 35.499 10.080 6.955 1.00 0.00 N ATOM 551 CA ARG A 34 34.056 10.161 7.104 1.00 0.00 C ATOM 552 C ARG A 34 33.436 8.765 7.033 1.00 0.00 C ATOM 553 O ARG A 34 32.377 8.522 7.611 1.00 0.00 O ATOM 554 CB ARG A 34 33.439 11.042 6.015 1.00 0.00 C ATOM 555 CG ARG A 34 31.987 11.388 6.348 1.00 0.00 C ATOM 556 CD ARG A 34 31.908 12.644 7.218 1.00 0.00 C ATOM 557 NE ARG A 34 31.904 12.269 8.649 1.00 0.00 N ATOM 558 CZ ARG A 34 32.064 13.147 9.662 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.241 14.461 9.409 1.00 0.00 N ATOM 560 NH2 ARG A 34 32.043 12.701 10.905 1.00 0.00 N ATOM 0 H ARG A 34 35.845 10.310 6.023 1.00 0.00 H new ATOM 0 HA ARG A 34 33.847 10.606 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.020 11.958 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.483 10.526 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 34 31.426 11.544 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 34 31.520 10.551 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.755 13.296 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 34 31.005 13.206 6.978 1.00 0.00 H new ATOM 0 HE ARG A 34 31.772 11.286 8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 34 32.255 14.798 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.361 15.117 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 34 31.907 11.707 11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 34 32.162 13.351 11.682 1.00 0.00 H new ATOM 573 N GLU A 35 34.121 7.883 6.319 1.00 0.00 N ATOM 574 CA GLU A 35 33.650 6.517 6.166 1.00 0.00 C ATOM 575 C GLU A 35 32.160 6.505 5.819 1.00 0.00 C ATOM 576 O GLU A 35 31.363 5.872 6.511 1.00 0.00 O ATOM 577 CB GLU A 35 33.926 5.697 7.427 1.00 0.00 C ATOM 578 CG GLU A 35 33.251 6.324 8.648 1.00 0.00 C ATOM 579 CD GLU A 35 33.368 5.410 9.870 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.484 4.572 10.104 1.00 0.00 O ATOM 581 OE2 GLU A 35 34.423 5.593 10.589 1.00 0.00 O ATOM 0 H GLU A 35 34.998 8.088 5.840 1.00 0.00 H new ATOM 0 HA GLU A 35 34.198 6.055 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.563 4.679 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 35.001 5.632 7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.709 7.289 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 35 32.200 6.513 8.430 1.00 0.00 H new ATOM 589 N THR A 36 31.828 7.212 4.749 1.00 0.00 N ATOM 590 CA THR A 36 30.448 7.291 4.303 1.00 0.00 C ATOM 591 C THR A 36 29.967 5.924 3.810 1.00 0.00 C ATOM 592 O THR A 36 28.765 5.682 3.714 1.00 0.00 O ATOM 593 CB THR A 36 30.357 8.386 3.238 1.00 0.00 C ATOM 594 OG1 THR A 36 29.954 9.544 3.965 1.00 0.00 O ATOM 595 CG2 THR A 36 29.212 8.150 2.251 1.00 0.00 C ATOM 0 H THR A 36 32.491 7.735 4.178 1.00 0.00 H new ATOM 0 HA THR A 36 29.783 7.559 5.124 1.00 0.00 H new ATOM 0 HB THR A 36 31.300 8.442 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 36 29.872 10.304 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 36 29.192 8.956 1.517 1.00 0.00 H new ATOM 0 HG22 THR A 36 29.361 7.198 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.265 8.128 2.791 1.00 0.00 H new ATOM 603 N TRP A 37 30.932 5.066 3.512 1.00 0.00 N ATOM 604 CA TRP A 37 30.623 3.730 3.032 1.00 0.00 C ATOM 605 C TRP A 37 30.596 2.789 4.238 1.00 0.00 C ATOM 606 O TRP A 37 30.745 1.577 4.088 1.00 0.00 O ATOM 607 CB TRP A 37 31.615 3.292 1.953 1.00 0.00 C ATOM 608 CG TRP A 37 32.525 4.414 1.451 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.771 4.707 1.850 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.208 5.388 0.434 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.277 5.795 1.167 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.297 6.222 0.279 1.00 0.00 C ATOM 613 CE3 TRP A 37 31.040 5.559 -0.329 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.326 7.284 -0.633 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.084 6.625 -1.236 1.00 0.00 C ATOM 616 CH2 TRP A 37 32.173 7.473 -1.404 1.00 0.00 C ATOM 0 H TRP A 37 31.928 5.270 3.594 1.00 0.00 H new ATOM 0 HA TRP A 37 29.644 3.709 2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.233 2.486 2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.060 2.883 1.109 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.311 4.161 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.201 6.209 1.291 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.177 4.919 -0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.191 7.923 -0.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 30.211 6.801 -1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 37 32.129 8.274 -2.127 1.00 0.00 H new ATOM 627 N LEU A 38 30.405 3.382 5.407 1.00 0.00 N ATOM 628 CA LEU A 38 30.358 2.612 6.638 1.00 0.00 C ATOM 629 C LEU A 38 29.274 3.187 7.553 1.00 0.00 C ATOM 630 O LEU A 38 28.423 2.453 8.051 1.00 0.00 O ATOM 631 CB LEU A 38 31.742 2.552 7.287 1.00 0.00 C ATOM 632 CG LEU A 38 32.906 2.210 6.354 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.667 0.873 5.649 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.164 3.344 5.361 1.00 0.00 C ATOM 0 H LEU A 38 30.281 4.387 5.528 1.00 0.00 H new ATOM 0 HA LEU A 38 30.085 1.578 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.946 3.517 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.714 1.813 8.087 1.00 0.00 H new ATOM 0 HG LEU A 38 33.807 2.100 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.508 0.653 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.570 0.082 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.752 0.931 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.996 3.075 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.271 3.510 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.409 4.256 5.906 1.00 0.00 H new ATOM 646 N ILE A 39 29.342 4.496 7.746 1.00 0.00 N ATOM 647 CA ILE A 39 28.377 5.179 8.592 1.00 0.00 C ATOM 648 C ILE A 39 27.019 5.206 7.889 1.00 0.00 C ATOM 649 O ILE A 39 25.977 5.149 8.541 1.00 0.00 O ATOM 650 CB ILE A 39 28.895 6.564 8.985 1.00 0.00 C ATOM 651 CG1 ILE A 39 29.428 7.317 7.764 1.00 0.00 C ATOM 652 CG2 ILE A 39 29.940 6.463 10.098 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.811 8.714 7.670 1.00 0.00 C ATOM 0 H ILE A 39 30.050 5.102 7.331 1.00 0.00 H new ATOM 0 HA ILE A 39 28.240 4.638 9.529 1.00 0.00 H new ATOM 0 HB ILE A 39 28.059 7.142 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.513 7.398 7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 39 29.203 6.754 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 39 30.292 7.461 10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 39 29.493 5.995 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.781 5.860 9.754 1.00 0.00 H new ATOM 0 HD11 ILE A 39 29.206 9.228 6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.728 8.628 7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.059 9.282 8.567 1.00 0.00 H new ATOM 665 N TYR A 40 27.073 5.294 6.568 1.00 0.00 N ATOM 666 CA TYR A 40 25.860 5.330 5.770 1.00 0.00 C ATOM 667 C TYR A 40 24.952 6.482 6.205 1.00 0.00 C ATOM 668 O TYR A 40 24.390 6.455 7.298 1.00 0.00 O ATOM 669 CB TYR A 40 25.143 4.004 6.032 1.00 0.00 C ATOM 670 CG TYR A 40 25.294 2.982 4.904 1.00 0.00 C ATOM 671 CD1 TYR A 40 24.811 3.269 3.643 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.912 1.772 5.148 1.00 0.00 C ATOM 673 CE1 TYR A 40 24.953 2.306 2.582 1.00 0.00 C ATOM 674 CE2 TYR A 40 26.053 0.809 4.086 1.00 0.00 C ATOM 675 CZ TYR A 40 25.567 1.124 2.856 1.00 0.00 C ATOM 676 OH TYR A 40 25.701 0.215 1.853 1.00 0.00 O ATOM 0 H TYR A 40 27.939 5.341 6.030 1.00 0.00 H new ATOM 0 HA TYR A 40 26.098 5.475 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.528 3.571 6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.083 4.201 6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 40 24.327 4.215 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.290 1.547 6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 40 24.580 2.518 1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 40 26.534 -0.142 4.263 1.00 0.00 H new ATOM 0 HH TYR A 40 26.159 -0.582 2.193 1.00 0.00 H new ATOM 686 N LYS A 41 24.836 7.466 5.325 1.00 0.00 N ATOM 687 CA LYS A 41 24.006 8.626 5.604 1.00 0.00 C ATOM 688 C LYS A 41 22.590 8.371 5.081 1.00 0.00 C ATOM 689 O LYS A 41 21.611 8.746 5.724 1.00 0.00 O ATOM 690 CB LYS A 41 24.650 9.894 5.043 1.00 0.00 C ATOM 691 CG LYS A 41 24.643 9.882 3.513 1.00 0.00 C ATOM 692 CD LYS A 41 25.712 10.822 2.951 1.00 0.00 C ATOM 693 CE LYS A 41 25.091 11.861 2.015 1.00 0.00 C ATOM 694 NZ LYS A 41 25.937 13.074 1.954 1.00 0.00 N ATOM 0 H LYS A 41 25.303 7.484 4.418 1.00 0.00 H new ATOM 0 HA LYS A 41 23.926 8.788 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 41 24.113 10.770 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 41 25.675 9.976 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 24.820 8.868 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.661 10.183 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 41 26.225 11.326 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 41 26.463 10.244 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.978 11.438 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.093 12.124 2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 25.502 13.769 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 26.023 13.485 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.881 12.821 1.599 1.00 0.00 H new ATOM 707 N ASN A 42 22.528 7.736 3.920 1.00 0.00 N ATOM 708 CA ASN A 42 21.249 7.428 3.304 1.00 0.00 C ATOM 709 C ASN A 42 20.617 8.718 2.778 1.00 0.00 C ATOM 710 O ASN A 42 20.385 8.856 1.578 1.00 0.00 O ATOM 711 CB ASN A 42 20.285 6.807 4.316 1.00 0.00 C ATOM 712 CG ASN A 42 19.671 5.517 3.770 1.00 0.00 C ATOM 713 OD1 ASN A 42 19.008 5.500 2.745 1.00 0.00 O ATOM 714 ND2 ASN A 42 19.926 4.441 4.508 1.00 0.00 N ATOM 0 H ASN A 42 23.343 7.426 3.390 1.00 0.00 H new ATOM 0 HA ASN A 42 21.427 6.720 2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 42 20.814 6.597 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.494 7.518 4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.560 3.531 4.227 1.00 0.00 H new ATOM 0 HD22 ASN A 42 20.488 4.525 5.355 1.00 0.00 H new ATOM 721 N THR A 43 20.356 9.631 3.702 1.00 0.00 N ATOM 722 CA THR A 43 19.755 10.905 3.347 1.00 0.00 C ATOM 723 C THR A 43 19.861 11.889 4.514 1.00 0.00 C ATOM 724 O THR A 43 20.639 11.674 5.443 1.00 0.00 O ATOM 725 CB THR A 43 18.314 10.641 2.904 1.00 0.00 C ATOM 726 OG1 THR A 43 17.942 11.828 2.210 1.00 0.00 O ATOM 727 CG2 THR A 43 17.341 10.579 4.083 1.00 0.00 C ATOM 0 H THR A 43 20.550 9.513 4.696 1.00 0.00 H new ATOM 0 HA THR A 43 20.285 11.374 2.518 1.00 0.00 H new ATOM 0 HB THR A 43 18.271 9.704 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 43 17.021 11.743 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.333 10.390 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.637 9.775 4.757 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.358 11.528 4.619 1.00 0.00 H new ATOM 735 N LYS A 44 19.068 12.947 4.429 1.00 0.00 N ATOM 736 CA LYS A 44 19.064 13.964 5.466 1.00 0.00 C ATOM 737 C LYS A 44 19.140 13.289 6.837 1.00 0.00 C ATOM 738 O LYS A 44 20.191 13.290 7.476 1.00 0.00 O ATOM 739 CB LYS A 44 17.857 14.890 5.303 1.00 0.00 C ATOM 740 CG LYS A 44 18.047 15.835 4.114 1.00 0.00 C ATOM 741 CD LYS A 44 18.846 17.074 4.522 1.00 0.00 C ATOM 742 CE LYS A 44 19.554 17.691 3.314 1.00 0.00 C ATOM 743 NZ LYS A 44 20.483 18.759 3.748 1.00 0.00 N ATOM 0 H LYS A 44 18.424 13.122 3.658 1.00 0.00 H new ATOM 0 HA LYS A 44 19.942 14.603 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.955 14.295 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.714 15.471 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.564 15.313 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.074 16.137 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.179 17.809 4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.581 16.804 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.104 16.920 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.817 18.100 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.955 19.167 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.950 19.502 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.197 18.359 4.390 1.00 0.00 H new ATOM 756 N LEU A 45 18.012 12.728 7.248 1.00 0.00 N ATOM 757 CA LEU A 45 17.938 12.051 8.532 1.00 0.00 C ATOM 758 C LEU A 45 18.714 12.857 9.575 1.00 0.00 C ATOM 759 O LEU A 45 19.268 12.291 10.515 1.00 0.00 O ATOM 760 CB LEU A 45 18.408 10.601 8.400 1.00 0.00 C ATOM 761 CG LEU A 45 17.495 9.669 7.601 1.00 0.00 C ATOM 762 CD1 LEU A 45 18.312 8.636 6.824 1.00 0.00 C ATOM 763 CD2 LEU A 45 16.453 9.012 8.508 1.00 0.00 C ATOM 0 H LEU A 45 17.142 12.728 6.715 1.00 0.00 H new ATOM 0 HA LEU A 45 16.905 11.997 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.393 10.600 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.530 10.187 9.401 1.00 0.00 H new ATOM 0 HG LEU A 45 16.952 10.267 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.639 7.986 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 45 18.981 9.147 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.899 8.037 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.817 8.355 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.957 8.430 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.841 9.783 8.977 1.00 0.00 H new ATOM 775 N VAL A 46 18.729 14.167 9.373 1.00 0.00 N ATOM 776 CA VAL A 46 19.428 15.057 10.284 1.00 0.00 C ATOM 777 C VAL A 46 18.574 16.302 10.530 1.00 0.00 C ATOM 778 O VAL A 46 18.770 17.331 9.884 1.00 0.00 O ATOM 779 CB VAL A 46 20.817 15.384 9.733 1.00 0.00 C ATOM 780 CG1 VAL A 46 21.452 16.546 10.501 1.00 0.00 C ATOM 781 CG2 VAL A 46 21.722 14.150 9.761 1.00 0.00 C ATOM 0 H VAL A 46 18.268 14.633 8.591 1.00 0.00 H new ATOM 0 HA VAL A 46 19.581 14.573 11.248 1.00 0.00 H new ATOM 0 HB VAL A 46 20.701 15.692 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 46 22.439 16.758 10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.822 17.431 10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 46 21.548 16.278 11.553 1.00 0.00 H new ATOM 0 HG21 VAL A 46 22.703 14.409 9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 21.827 13.799 10.788 1.00 0.00 H new ATOM 0 HG23 VAL A 46 21.281 13.361 9.151 1.00 0.00 H new ATOM 791 N LYS A 47 17.644 16.169 11.464 1.00 0.00 N ATOM 792 CA LYS A 47 16.760 17.271 11.803 1.00 0.00 C ATOM 793 C LYS A 47 15.905 17.626 10.584 1.00 0.00 C ATOM 794 O LYS A 47 16.247 18.529 9.824 1.00 0.00 O ATOM 795 CB LYS A 47 17.561 18.451 12.357 1.00 0.00 C ATOM 796 CG LYS A 47 18.011 18.181 13.794 1.00 0.00 C ATOM 797 CD LYS A 47 16.945 18.631 14.795 1.00 0.00 C ATOM 798 CE LYS A 47 17.529 19.613 15.814 1.00 0.00 C ATOM 799 NZ LYS A 47 17.732 18.945 17.119 1.00 0.00 N ATOM 0 H LYS A 47 17.483 15.314 11.997 1.00 0.00 H new ATOM 0 HA LYS A 47 16.076 16.979 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 47 18.432 18.632 11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.952 19.355 12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 18.210 17.117 13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 47 18.945 18.706 13.991 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.118 19.102 14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.538 17.763 15.313 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.478 20.005 15.448 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.858 20.463 15.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.129 19.625 17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.820 18.592 17.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.390 18.148 17.002 1.00 0.00 H new ATOM 812 N LYS A 48 14.809 16.896 10.437 1.00 0.00 N ATOM 813 CA LYS A 48 13.903 17.122 9.324 1.00 0.00 C ATOM 814 C LYS A 48 12.662 17.864 9.825 1.00 0.00 C ATOM 815 O LYS A 48 12.167 17.586 10.916 1.00 0.00 O ATOM 816 CB LYS A 48 13.586 15.804 8.614 1.00 0.00 C ATOM 817 CG LYS A 48 13.621 14.631 9.595 1.00 0.00 C ATOM 818 CD LYS A 48 12.898 13.412 9.018 1.00 0.00 C ATOM 819 CE LYS A 48 13.293 13.181 7.558 1.00 0.00 C ATOM 820 NZ LYS A 48 12.485 12.090 6.969 1.00 0.00 N ATOM 0 H LYS A 48 14.528 16.147 11.070 1.00 0.00 H new ATOM 0 HA LYS A 48 14.374 17.757 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.602 15.865 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 48 14.307 15.635 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.655 14.372 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.154 14.924 10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.140 12.528 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.820 13.557 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.148 14.098 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.352 12.931 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.766 11.946 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.643 11.213 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.477 12.343 7.010 1.00 0.00 H new ATOM 833 N ILE A 49 12.195 18.793 9.004 1.00 0.00 N ATOM 834 CA ILE A 49 11.022 19.577 9.351 1.00 0.00 C ATOM 835 C ILE A 49 9.913 18.640 9.835 1.00 0.00 C ATOM 836 O ILE A 49 9.979 17.431 9.619 1.00 0.00 O ATOM 837 CB ILE A 49 10.606 20.466 8.177 1.00 0.00 C ATOM 838 CG1 ILE A 49 11.160 21.883 8.340 1.00 0.00 C ATOM 839 CG2 ILE A 49 9.087 20.462 7.997 1.00 0.00 C ATOM 840 CD1 ILE A 49 10.701 22.503 9.661 1.00 0.00 C ATOM 0 H ILE A 49 12.608 19.020 8.099 1.00 0.00 H new ATOM 0 HA ILE A 49 11.247 20.257 10.173 1.00 0.00 H new ATOM 0 HB ILE A 49 11.039 20.053 7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 49 12.249 21.858 8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 49 10.829 22.505 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.819 21.102 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.746 19.445 7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.612 20.837 8.904 1.00 0.00 H new ATOM 0 HD11 ILE A 49 11.109 23.510 9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.612 22.549 9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.054 21.892 10.492 1.00 0.00 H new ATOM 852 N ASP A 50 8.921 19.235 10.482 1.00 0.00 N ATOM 853 CA ASP A 50 7.800 18.469 10.999 1.00 0.00 C ATOM 854 C ASP A 50 8.313 17.441 12.009 1.00 0.00 C ATOM 855 O ASP A 50 9.019 16.503 11.642 1.00 0.00 O ATOM 856 CB ASP A 50 7.085 17.713 9.877 1.00 0.00 C ATOM 857 CG ASP A 50 5.821 16.965 10.304 1.00 0.00 C ATOM 858 OD1 ASP A 50 4.722 17.221 9.789 1.00 0.00 O ATOM 859 OD2 ASP A 50 5.998 16.074 11.220 1.00 0.00 O ATOM 0 H ASP A 50 8.871 20.238 10.660 1.00 0.00 H new ATOM 0 HA ASP A 50 7.103 19.165 11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.822 18.422 9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.782 16.998 9.440 1.00 0.00 H new ATOM 865 N HIS A 51 7.938 17.652 13.262 1.00 0.00 N ATOM 866 CA HIS A 51 8.351 16.755 14.328 1.00 0.00 C ATOM 867 C HIS A 51 7.304 16.768 15.444 1.00 0.00 C ATOM 868 O HIS A 51 7.490 17.424 16.467 1.00 0.00 O ATOM 869 CB HIS A 51 9.753 17.113 14.826 1.00 0.00 C ATOM 870 CG HIS A 51 9.977 18.594 15.018 1.00 0.00 C ATOM 871 ND1 HIS A 51 10.326 19.440 13.979 1.00 0.00 N ATOM 872 CD2 HIS A 51 9.898 19.370 16.136 1.00 0.00 C ATOM 873 CE1 HIS A 51 10.450 20.667 14.463 1.00 0.00 C ATOM 874 NE2 HIS A 51 10.184 20.622 15.800 1.00 0.00 N ATOM 0 H HIS A 51 7.353 18.431 13.563 1.00 0.00 H new ATOM 0 HA HIS A 51 8.413 15.736 13.947 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.932 16.603 15.773 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.488 16.734 14.116 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.645 19.025 17.128 1.00 0.00 H new ATOM 0 HE1 HIS A 51 10.715 21.548 13.898 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.202 21.419 16.437 1.00 0.00 H new ATOM 882 N ALA A 52 6.226 16.034 15.208 1.00 0.00 N ATOM 883 CA ALA A 52 5.149 15.953 16.180 1.00 0.00 C ATOM 884 C ALA A 52 5.591 15.073 17.352 1.00 0.00 C ATOM 885 O ALA A 52 5.440 13.853 17.308 1.00 0.00 O ATOM 886 CB ALA A 52 3.885 15.425 15.499 1.00 0.00 C ATOM 0 H ALA A 52 6.076 15.490 14.358 1.00 0.00 H new ATOM 0 HA ALA A 52 4.916 16.941 16.578 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.077 15.364 16.228 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.597 16.100 14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.079 14.434 15.089 1.00 0.00 H new ATOM 892 N LYS A 53 6.129 15.726 18.371 1.00 0.00 N ATOM 893 CA LYS A 53 6.594 15.019 19.552 1.00 0.00 C ATOM 894 C LYS A 53 7.318 13.740 19.123 1.00 0.00 C ATOM 895 O LYS A 53 6.699 12.684 19.000 1.00 0.00 O ATOM 896 CB LYS A 53 5.436 14.774 20.521 1.00 0.00 C ATOM 897 CG LYS A 53 5.871 15.014 21.968 1.00 0.00 C ATOM 898 CD LYS A 53 5.215 16.273 22.537 1.00 0.00 C ATOM 899 CE LYS A 53 4.213 15.921 23.638 1.00 0.00 C ATOM 900 NZ LYS A 53 2.829 15.982 23.118 1.00 0.00 N ATOM 0 H LYS A 53 6.253 16.738 18.403 1.00 0.00 H new ATOM 0 HA LYS A 53 7.315 15.626 20.100 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.604 15.434 20.273 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.075 13.751 20.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.603 14.152 22.579 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.956 15.113 22.014 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.981 16.937 22.937 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.708 16.815 21.739 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.420 14.922 24.021 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.325 16.612 24.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.162 15.740 23.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.629 16.943 22.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.722 15.305 22.335 1.00 0.00 H new ATOM 913 N VAL A 54 8.618 13.878 18.908 1.00 0.00 N ATOM 914 CA VAL A 54 9.432 12.747 18.495 1.00 0.00 C ATOM 915 C VAL A 54 10.036 12.082 19.733 1.00 0.00 C ATOM 916 O VAL A 54 11.249 11.889 19.809 1.00 0.00 O ATOM 917 CB VAL A 54 10.487 13.203 17.486 1.00 0.00 C ATOM 918 CG1 VAL A 54 9.837 13.633 16.169 1.00 0.00 C ATOM 919 CG2 VAL A 54 11.350 14.326 18.064 1.00 0.00 C ATOM 0 H VAL A 54 9.128 14.755 19.012 1.00 0.00 H new ATOM 0 HA VAL A 54 8.821 11.999 17.990 1.00 0.00 H new ATOM 0 HB VAL A 54 11.138 12.355 17.277 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.609 13.953 15.469 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.287 12.794 15.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.151 14.460 16.355 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.092 14.631 17.326 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.718 15.177 18.317 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.856 13.971 18.962 1.00 0.00 H new ATOM 929 N ARG A 55 9.163 11.748 20.672 1.00 0.00 N ATOM 930 CA ARG A 55 9.596 11.108 21.903 1.00 0.00 C ATOM 931 C ARG A 55 10.854 11.791 22.443 1.00 0.00 C ATOM 932 O ARG A 55 11.969 11.341 22.183 1.00 0.00 O ATOM 933 CB ARG A 55 9.887 9.623 21.678 1.00 0.00 C ATOM 934 CG ARG A 55 8.990 8.749 22.558 1.00 0.00 C ATOM 935 CD ARG A 55 8.896 7.327 22.002 1.00 0.00 C ATOM 936 NE ARG A 55 9.935 6.472 22.619 1.00 0.00 N ATOM 937 CZ ARG A 55 11.213 6.403 22.187 1.00 0.00 C ATOM 938 NH1 ARG A 55 11.619 7.139 21.131 1.00 0.00 N ATOM 939 NH2 ARG A 55 12.057 5.606 22.814 1.00 0.00 N ATOM 0 H ARG A 55 8.158 11.908 20.605 1.00 0.00 H new ATOM 0 HA ARG A 55 8.788 11.203 22.628 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.729 9.373 20.629 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.934 9.416 21.901 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.386 8.721 23.573 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.994 9.187 22.617 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.907 6.914 22.203 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.022 7.342 20.919 1.00 0.00 H new ATOM 0 HE ARG A 55 9.669 5.899 23.420 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.959 7.753 20.653 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.586 7.081 20.811 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.741 5.054 23.611 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.026 5.542 22.501 1.00 0.00 H new ATOM 952 N LYS A 56 10.633 12.867 23.184 1.00 0.00 N ATOM 953 CA LYS A 56 11.734 13.617 23.763 1.00 0.00 C ATOM 954 C LYS A 56 11.745 13.411 25.279 1.00 0.00 C ATOM 955 O LYS A 56 11.623 14.369 26.040 1.00 0.00 O ATOM 956 CB LYS A 56 11.662 15.086 23.343 1.00 0.00 C ATOM 957 CG LYS A 56 10.420 15.763 23.927 1.00 0.00 C ATOM 958 CD LYS A 56 10.771 17.122 24.534 1.00 0.00 C ATOM 959 CE LYS A 56 9.576 18.076 24.470 1.00 0.00 C ATOM 960 NZ LYS A 56 9.883 19.339 25.178 1.00 0.00 N ATOM 0 H LYS A 56 9.707 13.237 23.397 1.00 0.00 H new ATOM 0 HA LYS A 56 12.687 13.247 23.384 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.557 15.608 23.679 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.642 15.156 22.255 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.671 15.892 23.146 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.978 15.123 24.690 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.082 16.992 25.571 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.616 17.556 24.000 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.326 18.287 23.430 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.702 17.604 24.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.062 19.975 25.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.099 19.135 26.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.704 19.796 24.732 1.00 0.00 H new ATOM 973 N HIS A 57 11.893 12.154 25.672 1.00 0.00 N ATOM 974 CA HIS A 57 11.922 11.810 27.084 1.00 0.00 C ATOM 975 C HIS A 57 10.829 12.585 27.823 1.00 0.00 C ATOM 976 O HIS A 57 11.077 13.671 28.343 1.00 0.00 O ATOM 977 CB HIS A 57 13.315 12.043 27.671 1.00 0.00 C ATOM 978 CG HIS A 57 14.405 11.235 27.008 1.00 0.00 C ATOM 979 ND1 HIS A 57 15.283 11.776 26.085 1.00 0.00 N ATOM 980 CD2 HIS A 57 14.749 9.922 27.144 1.00 0.00 C ATOM 981 CE1 HIS A 57 16.113 10.822 25.689 1.00 0.00 C ATOM 982 NE2 HIS A 57 15.781 9.674 26.346 1.00 0.00 N ATOM 0 H HIS A 57 11.994 11.362 25.038 1.00 0.00 H new ATOM 0 HA HIS A 57 11.713 10.748 27.208 1.00 0.00 H new ATOM 0 HB2 HIS A 57 13.560 13.102 27.588 1.00 0.00 H new ATOM 0 HB3 HIS A 57 13.295 11.803 28.734 1.00 0.00 H new ATOM 0 HD2 HIS A 57 14.264 9.206 27.791 1.00 0.00 H new ATOM 0 HE1 HIS A 57 16.912 10.934 24.972 1.00 0.00 H new ATOM 0 HE2 HIS A 57 16.248 8.773 26.242 1.00 0.00 H new ATOM 990 N GLN A 58 9.643 11.995 27.846 1.00 0.00 N ATOM 991 CA GLN A 58 8.512 12.616 28.514 1.00 0.00 C ATOM 992 C GLN A 58 8.763 12.697 30.021 1.00 0.00 C ATOM 993 O GLN A 58 8.217 13.565 30.699 1.00 0.00 O ATOM 994 CB GLN A 58 7.216 11.860 28.214 1.00 0.00 C ATOM 995 CG GLN A 58 7.338 10.385 28.603 1.00 0.00 C ATOM 996 CD GLN A 58 7.699 9.526 27.390 1.00 0.00 C ATOM 997 OE1 GLN A 58 8.855 9.255 27.110 1.00 0.00 O ATOM 998 NE2 GLN A 58 6.648 9.114 26.687 1.00 0.00 N ATOM 0 H GLN A 58 9.441 11.094 27.413 1.00 0.00 H new ATOM 0 HA GLN A 58 8.401 13.630 28.130 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.390 12.316 28.760 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.981 11.942 27.153 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.100 10.270 29.374 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.397 10.039 29.031 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.706 9.377 26.976 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.784 8.535 25.858 1.00 0.00 H new ATOM 1007 N ARG A 59 9.590 11.779 30.500 1.00 0.00 N ATOM 1008 CA ARG A 59 9.921 11.736 31.915 1.00 0.00 C ATOM 1009 C ARG A 59 11.294 12.364 32.158 1.00 0.00 C ATOM 1010 O ARG A 59 12.032 12.639 31.213 1.00 0.00 O ATOM 1011 CB ARG A 59 9.926 10.297 32.435 1.00 0.00 C ATOM 1012 CG ARG A 59 8.661 10.003 33.244 1.00 0.00 C ATOM 1013 CD ARG A 59 8.354 8.504 33.256 1.00 0.00 C ATOM 1014 NE ARG A 59 7.248 8.220 34.197 1.00 0.00 N ATOM 1015 CZ ARG A 59 7.372 8.251 35.541 1.00 0.00 C ATOM 1016 NH1 ARG A 59 8.557 8.553 36.114 1.00 0.00 N ATOM 1017 NH2 ARG A 59 6.318 7.981 36.288 1.00 0.00 N ATOM 0 H ARG A 59 10.040 11.060 29.934 1.00 0.00 H new ATOM 0 HA ARG A 59 9.159 12.302 32.452 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.995 9.604 31.597 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.806 10.134 33.057 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.787 10.360 34.266 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.818 10.547 32.818 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.084 8.172 32.254 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.243 7.945 33.548 1.00 0.00 H new ATOM 0 HE ARG A 59 6.335 7.986 33.806 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.368 8.760 35.530 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.641 8.574 37.130 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.426 7.753 35.848 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.395 8.000 37.305 1.00 0.00 H new ATOM 1030 N LYS A 60 11.596 12.573 33.431 1.00 0.00 N ATOM 1031 CA LYS A 60 12.868 13.164 33.811 1.00 0.00 C ATOM 1032 C LYS A 60 13.025 14.517 33.115 1.00 0.00 C ATOM 1033 O LYS A 60 12.151 14.935 32.358 1.00 0.00 O ATOM 1034 CB LYS A 60 14.016 12.191 33.531 1.00 0.00 C ATOM 1035 CG LYS A 60 14.431 11.452 34.804 1.00 0.00 C ATOM 1036 CD LYS A 60 13.352 10.457 35.237 1.00 0.00 C ATOM 1037 CE LYS A 60 13.963 9.093 35.565 1.00 0.00 C ATOM 1038 NZ LYS A 60 13.552 8.652 36.916 1.00 0.00 N ATOM 0 H LYS A 60 10.982 12.344 34.212 1.00 0.00 H new ATOM 0 HA LYS A 60 12.895 13.352 34.884 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.710 11.471 32.772 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.870 12.736 33.128 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.369 10.925 34.633 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.610 12.170 35.604 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.826 10.843 36.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.614 10.347 34.443 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.646 8.359 34.824 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.050 9.152 35.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.975 7.725 37.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.876 9.345 37.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.516 8.576 36.956 1.00 0.00 H new ATOM 1051 N PHE A 61 14.147 15.165 33.396 1.00 0.00 N ATOM 1052 CA PHE A 61 14.430 16.462 32.807 1.00 0.00 C ATOM 1053 C PHE A 61 13.313 17.461 33.117 1.00 0.00 C ATOM 1054 O PHE A 61 12.257 17.081 33.621 1.00 0.00 O ATOM 1055 CB PHE A 61 14.508 16.258 31.292 1.00 0.00 C ATOM 1056 CG PHE A 61 15.566 15.242 30.856 1.00 0.00 C ATOM 1057 CD1 PHE A 61 15.256 13.919 30.801 1.00 0.00 C ATOM 1058 CD2 PHE A 61 16.816 15.662 30.523 1.00 0.00 C ATOM 1059 CE1 PHE A 61 16.237 12.976 30.396 1.00 0.00 C ATOM 1060 CE2 PHE A 61 17.797 14.719 30.117 1.00 0.00 C ATOM 1061 CZ PHE A 61 17.487 13.396 30.062 1.00 0.00 C ATOM 0 H PHE A 61 14.870 14.815 34.024 1.00 0.00 H new ATOM 0 HA PHE A 61 15.360 16.860 33.213 1.00 0.00 H new ATOM 0 HB2 PHE A 61 13.534 15.931 30.929 1.00 0.00 H new ATOM 0 HB3 PHE A 61 14.721 17.216 30.817 1.00 0.00 H new ATOM 0 HD1 PHE A 61 14.263 13.586 31.065 1.00 0.00 H new ATOM 0 HD2 PHE A 61 17.062 16.713 30.567 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.991 11.925 30.353 1.00 0.00 H new ATOM 0 HE2 PHE A 61 18.789 15.052 29.852 1.00 0.00 H new ATOM 0 HZ PHE A 61 18.233 12.679 29.753 1.00 0.00 H new ATOM 1071 N LEU A 62 13.584 18.720 32.804 1.00 0.00 N ATOM 1072 CA LEU A 62 12.616 19.776 33.043 1.00 0.00 C ATOM 1073 C LEU A 62 12.028 19.615 34.447 1.00 0.00 C ATOM 1074 O LEU A 62 12.514 18.809 35.238 1.00 0.00 O ATOM 1075 CB LEU A 62 11.562 19.798 31.934 1.00 0.00 C ATOM 1076 CG LEU A 62 11.840 20.742 30.763 1.00 0.00 C ATOM 1077 CD1 LEU A 62 11.985 19.965 29.454 1.00 0.00 C ATOM 1078 CD2 LEU A 62 10.767 21.829 30.668 1.00 0.00 C ATOM 0 H LEU A 62 14.461 19.032 32.387 1.00 0.00 H new ATOM 0 HA LEU A 62 13.101 20.752 33.010 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.455 18.787 31.542 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.604 20.072 32.376 1.00 0.00 H new ATOM 0 HG LEU A 62 12.791 21.243 30.947 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.182 20.660 28.638 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.813 19.261 29.539 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.064 19.419 29.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.989 22.486 29.827 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.792 21.366 30.519 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.755 22.410 31.590 1.00 0.00 H new ATOM 1090 N GLN A 63 10.990 20.395 34.712 1.00 0.00 N ATOM 1091 CA GLN A 63 10.331 20.349 36.006 1.00 0.00 C ATOM 1092 C GLN A 63 10.251 18.906 36.510 1.00 0.00 C ATOM 1093 O GLN A 63 10.823 18.574 37.547 1.00 0.00 O ATOM 1094 CB GLN A 63 8.941 20.983 35.937 1.00 0.00 C ATOM 1095 CG GLN A 63 8.172 20.486 34.711 1.00 0.00 C ATOM 1096 CD GLN A 63 7.267 21.584 34.149 1.00 0.00 C ATOM 1097 OE1 GLN A 63 6.050 21.500 34.184 1.00 0.00 O ATOM 1098 NE2 GLN A 63 7.927 22.616 33.630 1.00 0.00 N ATOM 0 H GLN A 63 10.589 21.062 34.053 1.00 0.00 H new ATOM 0 HA GLN A 63 10.923 20.929 36.714 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.383 20.744 36.842 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.034 22.068 35.897 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.875 20.161 33.944 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.571 19.618 34.982 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.947 22.623 33.633 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.413 23.401 33.229 1.00 0.00 H new ATOM 1107 N ALA A 64 9.536 18.087 35.752 1.00 0.00 N ATOM 1108 CA ALA A 64 9.373 16.688 36.109 1.00 0.00 C ATOM 1109 C ALA A 64 8.839 16.590 37.539 1.00 0.00 C ATOM 1110 O ALA A 64 8.957 15.546 38.179 1.00 0.00 O ATOM 1111 CB ALA A 64 10.706 15.958 35.932 1.00 0.00 C ATOM 0 H ALA A 64 9.063 18.366 34.892 1.00 0.00 H new ATOM 0 HA ALA A 64 8.648 16.206 35.453 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.584 14.908 36.200 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.027 16.033 34.893 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.458 16.412 36.577 1.00 0.00 H new ATOM 1117 N ILE A 65 8.263 17.691 37.999 1.00 0.00 N ATOM 1118 CA ILE A 65 7.710 17.741 39.342 1.00 0.00 C ATOM 1119 C ILE A 65 6.186 17.633 39.265 1.00 0.00 C ATOM 1120 O ILE A 65 5.651 16.577 38.931 1.00 0.00 O ATOM 1121 CB ILE A 65 8.202 18.990 40.077 1.00 0.00 C ATOM 1122 CG1 ILE A 65 8.122 20.224 39.176 1.00 0.00 C ATOM 1123 CG2 ILE A 65 9.611 18.778 40.635 1.00 0.00 C ATOM 1124 CD1 ILE A 65 7.781 21.474 39.988 1.00 0.00 C ATOM 0 H ILE A 65 8.167 18.555 37.466 1.00 0.00 H new ATOM 0 HA ILE A 65 8.061 16.894 39.931 1.00 0.00 H new ATOM 0 HB ILE A 65 7.543 19.169 40.926 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.073 20.367 38.664 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.366 20.068 38.406 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.937 19.680 41.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.604 17.942 41.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.298 18.561 39.817 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.730 22.337 39.324 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.818 21.337 40.479 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.552 21.640 40.741 1.00 0.00 H new ATOM 1136 N HIS A 66 5.530 18.740 39.582 1.00 0.00 N ATOM 1137 CA HIS A 66 4.077 18.782 39.553 1.00 0.00 C ATOM 1138 C HIS A 66 3.514 17.577 40.309 1.00 0.00 C ATOM 1139 O HIS A 66 2.772 16.776 39.743 1.00 0.00 O ATOM 1140 CB HIS A 66 3.565 18.873 38.115 1.00 0.00 C ATOM 1141 CG HIS A 66 3.773 17.613 37.308 1.00 0.00 C ATOM 1142 ND1 HIS A 66 2.829 16.603 37.239 1.00 0.00 N ATOM 1143 CD2 HIS A 66 4.824 17.212 36.538 1.00 0.00 C ATOM 1144 CE1 HIS A 66 3.303 15.642 36.459 1.00 0.00 C ATOM 1145 NE2 HIS A 66 4.540 16.021 36.027 1.00 0.00 N ATOM 0 H HIS A 66 5.977 19.614 39.860 1.00 0.00 H new ATOM 0 HA HIS A 66 3.725 19.681 40.059 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.501 19.109 38.133 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.067 19.701 37.613 1.00 0.00 H new ATOM 0 HD1 HIS A 66 1.923 16.599 37.708 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.734 17.770 36.372 1.00 0.00 H new ATOM 0 HE1 HIS A 66 2.798 14.720 36.209 1.00 0.00 H new ATOM 1153 N GLN A 67 3.887 17.487 41.577 1.00 0.00 N ATOM 1154 CA GLN A 67 3.428 16.393 42.417 1.00 0.00 C ATOM 1155 C GLN A 67 3.898 15.053 41.846 1.00 0.00 C ATOM 1156 O GLN A 67 3.655 14.753 40.679 1.00 0.00 O ATOM 1157 CB GLN A 67 1.906 16.421 42.569 1.00 0.00 C ATOM 1158 CG GLN A 67 1.494 16.112 44.010 1.00 0.00 C ATOM 1159 CD GLN A 67 0.148 15.385 44.051 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -0.624 15.400 43.107 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -0.089 14.750 45.196 1.00 0.00 N ATOM 0 H GLN A 67 4.502 18.154 42.044 1.00 0.00 H new ATOM 0 HA GLN A 67 3.862 16.515 43.410 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.526 17.401 42.280 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.456 15.693 41.894 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.258 15.498 44.487 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.428 17.039 44.580 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.601 14.778 45.947 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.960 14.235 45.323 1.00 0.00 H new ATOM 1170 N LEU A 68 4.561 14.285 42.697 1.00 0.00 N ATOM 1171 CA LEU A 68 5.067 12.984 42.292 1.00 0.00 C ATOM 1172 C LEU A 68 3.929 11.963 42.338 1.00 0.00 C ATOM 1173 O LEU A 68 3.998 10.983 43.079 1.00 0.00 O ATOM 1174 CB LEU A 68 6.279 12.592 43.141 1.00 0.00 C ATOM 1175 CG LEU A 68 7.449 13.578 43.134 1.00 0.00 C ATOM 1176 CD1 LEU A 68 8.530 13.153 44.130 1.00 0.00 C ATOM 1177 CD2 LEU A 68 8.009 13.754 41.721 1.00 0.00 C ATOM 0 H LEU A 68 4.760 14.538 43.665 1.00 0.00 H new ATOM 0 HA LEU A 68 5.425 13.018 41.263 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.948 12.458 44.171 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.643 11.625 42.795 1.00 0.00 H new ATOM 0 HG LEU A 68 7.078 14.551 43.457 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.350 13.871 44.105 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.107 13.120 45.134 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.904 12.165 43.861 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.839 14.460 41.744 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.360 12.793 41.346 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.227 14.135 41.065 1.00 0.00 H new ATOM 1189 N ARG A 69 2.908 12.226 41.535 1.00 0.00 N ATOM 1190 CA ARG A 69 1.756 11.342 41.475 1.00 0.00 C ATOM 1191 C ARG A 69 1.387 10.854 42.877 1.00 0.00 C ATOM 1192 O ARG A 69 1.851 9.802 43.315 1.00 0.00 O ATOM 1193 CB ARG A 69 2.036 10.133 40.579 1.00 0.00 C ATOM 1194 CG ARG A 69 0.996 10.026 39.462 1.00 0.00 C ATOM 1195 CD ARG A 69 0.664 8.563 39.162 1.00 0.00 C ATOM 1196 NE ARG A 69 0.702 8.325 37.702 1.00 0.00 N ATOM 1197 CZ ARG A 69 0.038 7.327 37.080 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -0.723 6.465 37.788 1.00 0.00 N ATOM 1199 NH2 ARG A 69 0.143 7.208 35.770 1.00 0.00 N ATOM 0 H ARG A 69 2.855 13.039 40.921 1.00 0.00 H new ATOM 0 HA ARG A 69 0.925 11.908 41.054 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.032 10.220 40.146 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.027 9.222 41.178 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.089 10.557 39.752 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.373 10.509 38.561 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.377 7.909 39.664 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.323 8.318 39.553 1.00 0.00 H new ATOM 0 HE ARG A 69 1.265 8.954 37.130 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.800 6.565 38.800 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.221 5.714 37.311 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.719 7.864 35.243 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.352 6.460 35.285 1.00 0.00 H new ATOM 1212 N SER A 70 0.555 11.642 43.543 1.00 0.00 N ATOM 1213 CA SER A 70 0.119 11.304 44.887 1.00 0.00 C ATOM 1214 C SER A 70 1.286 10.720 45.685 1.00 0.00 C ATOM 1215 O SER A 70 1.426 9.502 45.787 1.00 0.00 O ATOM 1216 CB SER A 70 -1.049 10.315 44.854 1.00 0.00 C ATOM 1217 OG SER A 70 -2.051 10.703 43.918 1.00 0.00 O ATOM 0 H SER A 70 0.172 12.513 43.177 1.00 0.00 H new ATOM 0 HA SER A 70 -0.225 12.216 45.374 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.677 9.323 44.597 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.490 10.242 45.848 1.00 0.00 H new ATOM 0 HG SER A 70 -2.778 10.046 43.926 1.00 0.00 H new ATOM 1223 N VAL A 71 2.095 11.616 46.231 1.00 0.00 N ATOM 1224 CA VAL A 71 3.245 11.206 47.017 1.00 0.00 C ATOM 1225 C VAL A 71 2.915 11.339 48.505 1.00 0.00 C ATOM 1226 O VAL A 71 3.815 11.441 49.338 1.00 0.00 O ATOM 1227 CB VAL A 71 4.477 12.013 46.603 1.00 0.00 C ATOM 1228 CG1 VAL A 71 4.543 13.341 47.361 1.00 0.00 C ATOM 1229 CG2 VAL A 71 5.758 11.202 46.806 1.00 0.00 C ATOM 0 H VAL A 71 1.976 12.625 46.144 1.00 0.00 H new ATOM 0 HA VAL A 71 3.481 10.159 46.829 1.00 0.00 H new ATOM 0 HB VAL A 71 4.388 12.238 45.540 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.428 13.895 47.048 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.651 13.929 47.144 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.597 13.146 48.432 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.618 11.799 46.504 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.855 10.932 47.858 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.715 10.296 46.201 1.00 0.00 H new ATOM 1239 N LYS A 72 1.622 11.335 48.794 1.00 0.00 N ATOM 1240 CA LYS A 72 1.162 11.455 50.167 1.00 0.00 C ATOM 1241 C LYS A 72 -0.311 11.050 50.244 1.00 0.00 C ATOM 1242 O LYS A 72 -1.191 11.818 49.856 1.00 0.00 O ATOM 1243 CB LYS A 72 1.443 12.860 50.706 1.00 0.00 C ATOM 1244 CG LYS A 72 0.616 13.908 49.960 1.00 0.00 C ATOM 1245 CD LYS A 72 1.357 15.245 49.893 1.00 0.00 C ATOM 1246 CE LYS A 72 0.373 16.413 49.800 1.00 0.00 C ATOM 1247 NZ LYS A 72 1.046 17.616 49.261 1.00 0.00 N ATOM 0 H LYS A 72 0.879 11.251 48.101 1.00 0.00 H new ATOM 0 HA LYS A 72 1.714 10.774 50.815 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.211 12.898 51.770 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.504 13.088 50.603 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.401 13.556 48.951 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.343 14.044 50.461 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.984 15.362 50.777 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.021 15.254 49.028 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.465 16.140 49.159 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.038 16.630 50.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.364 18.399 49.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.831 17.885 49.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.416 17.410 48.311 1.00 0.00 H new ATOM 1260 N MET A 73 -0.535 9.845 50.747 1.00 0.00 N ATOM 1261 CA MET A 73 -1.887 9.329 50.880 1.00 0.00 C ATOM 1262 C MET A 73 -2.116 8.744 52.275 1.00 0.00 C ATOM 1263 O MET A 73 -1.346 7.901 52.733 1.00 0.00 O ATOM 1264 CB MET A 73 -2.125 8.245 49.827 1.00 0.00 C ATOM 1265 CG MET A 73 -1.062 7.148 49.918 1.00 0.00 C ATOM 1266 SD MET A 73 -1.843 5.543 49.955 1.00 0.00 S ATOM 1267 CE MET A 73 -0.459 4.537 50.464 1.00 0.00 C ATOM 0 H MET A 73 0.197 9.211 51.067 1.00 0.00 H new ATOM 0 HA MET A 73 -2.586 10.152 50.732 1.00 0.00 H new ATOM 0 HB2 MET A 73 -3.115 7.810 49.966 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.109 8.690 48.832 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.386 7.213 49.065 1.00 0.00 H new ATOM 0 HG3 MET A 73 -0.458 7.289 50.815 1.00 0.00 H new ATOM 0 HE1 MET A 73 -0.774 3.496 50.538 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.342 4.623 49.730 1.00 0.00 H new ATOM 0 HE3 MET A 73 -0.100 4.877 51.435 1.00 0.00 H new ATOM 1277 N GLU A 74 -3.178 9.215 52.912 1.00 0.00 N ATOM 1278 CA GLU A 74 -3.518 8.749 54.246 1.00 0.00 C ATOM 1279 C GLU A 74 -5.029 8.539 54.365 1.00 0.00 C ATOM 1280 O GLU A 74 -5.788 8.953 53.490 1.00 0.00 O ATOM 1281 CB GLU A 74 -3.014 9.724 55.312 1.00 0.00 C ATOM 1282 CG GLU A 74 -1.495 9.628 55.468 1.00 0.00 C ATOM 1283 CD GLU A 74 -0.878 11.012 55.683 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -0.339 11.604 54.736 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -0.973 11.470 56.885 1.00 0.00 O ATOM 0 H GLU A 74 -3.814 9.914 52.529 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.023 7.792 54.413 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.292 10.742 55.039 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.496 9.507 56.265 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.252 8.983 56.312 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.063 9.167 54.580 1.00 0.00 H new ATOM 1293 N GLN A 75 -5.420 7.897 55.456 1.00 0.00 N ATOM 1294 CA GLN A 75 -6.827 7.627 55.701 1.00 0.00 C ATOM 1295 C GLN A 75 -7.454 8.768 56.505 1.00 0.00 C ATOM 1296 O GLN A 75 -6.755 9.681 56.942 1.00 0.00 O ATOM 1297 CB GLN A 75 -7.012 6.287 56.416 1.00 0.00 C ATOM 1298 CG GLN A 75 -8.144 5.478 55.780 1.00 0.00 C ATOM 1299 CD GLN A 75 -8.476 4.244 56.622 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -8.293 4.216 57.828 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -8.974 3.229 55.921 1.00 0.00 N ATOM 0 H GLN A 75 -4.788 7.556 56.180 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.337 7.562 54.740 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -6.084 5.717 56.373 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.231 6.460 57.470 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.031 6.104 55.680 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.856 5.170 54.775 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.102 3.319 54.913 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.228 2.360 56.391 1.00 0.00 H new ATOM 1310 N ARG A 76 -8.765 8.678 56.676 1.00 0.00 N ATOM 1311 CA ARG A 76 -9.494 9.692 57.419 1.00 0.00 C ATOM 1312 C ARG A 76 -10.678 9.061 58.155 1.00 0.00 C ATOM 1313 O ARG A 76 -11.824 9.453 57.944 1.00 0.00 O ATOM 1314 CB ARG A 76 -10.008 10.793 56.490 1.00 0.00 C ATOM 1315 CG ARG A 76 -10.724 10.198 55.277 1.00 0.00 C ATOM 1316 CD ARG A 76 -11.202 11.298 54.327 1.00 0.00 C ATOM 1317 NE ARG A 76 -12.531 11.791 54.751 1.00 0.00 N ATOM 1318 CZ ARG A 76 -12.720 12.785 55.644 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -11.665 13.403 56.215 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -13.953 13.145 55.950 1.00 0.00 N ATOM 0 H ARG A 76 -9.341 7.919 56.313 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.806 10.133 58.140 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.690 11.445 57.036 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.174 11.411 56.157 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.051 9.523 54.748 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.576 9.604 55.608 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.486 12.120 54.319 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.256 10.912 53.309 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.356 11.352 54.343 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.716 13.120 55.973 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.817 14.153 56.889 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.745 12.674 55.513 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.113 13.894 56.623 1.00 0.00 H new ATOM 1333 N LYS A 77 -10.359 8.095 59.004 1.00 0.00 N ATOM 1334 CA LYS A 77 -11.383 7.406 59.772 1.00 0.00 C ATOM 1335 C LYS A 77 -12.018 8.386 60.761 1.00 0.00 C ATOM 1336 O LYS A 77 -11.334 9.246 61.314 1.00 0.00 O ATOM 1337 CB LYS A 77 -10.804 6.154 60.433 1.00 0.00 C ATOM 1338 CG LYS A 77 -10.937 4.938 59.515 1.00 0.00 C ATOM 1339 CD LYS A 77 -10.310 3.697 60.153 1.00 0.00 C ATOM 1340 CE LYS A 77 -10.432 2.483 59.229 1.00 0.00 C ATOM 1341 NZ LYS A 77 -9.250 1.604 59.369 1.00 0.00 N ATOM 0 H LYS A 77 -9.407 7.773 59.177 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.179 7.053 59.116 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.754 6.319 60.675 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.321 5.963 61.373 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.990 4.750 59.305 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.453 5.144 58.560 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.259 3.888 60.372 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.800 3.486 61.103 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.337 1.926 59.469 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.526 2.814 58.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.349 0.785 58.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.391 2.134 59.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.178 1.274 60.352 1.00 0.00 H new ATOM 1354 N LEU A 78 -13.319 8.224 60.953 1.00 0.00 N ATOM 1355 CA LEU A 78 -14.053 9.083 61.865 1.00 0.00 C ATOM 1356 C LEU A 78 -13.581 8.823 63.297 1.00 0.00 C ATOM 1357 O LEU A 78 -13.472 9.751 64.097 1.00 0.00 O ATOM 1358 CB LEU A 78 -15.561 8.904 61.673 1.00 0.00 C ATOM 1359 CG LEU A 78 -16.073 7.462 61.698 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -17.268 7.321 62.643 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -16.399 6.972 60.285 1.00 0.00 C ATOM 0 H LEU A 78 -13.883 7.510 60.492 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.849 10.131 61.647 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -16.076 9.465 62.453 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.842 9.352 60.720 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.279 6.824 62.086 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -17.612 6.287 62.642 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.969 7.603 63.652 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -18.075 7.973 62.308 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.761 5.945 60.331 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.168 7.609 59.848 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.501 7.013 59.669 1.00 0.00 H new ATOM 1373 N ASN A 79 -13.312 7.556 63.576 1.00 0.00 N ATOM 1374 CA ASN A 79 -12.854 7.162 64.897 1.00 0.00 C ATOM 1375 C ASN A 79 -11.348 7.413 65.006 1.00 0.00 C ATOM 1376 O ASN A 79 -10.588 6.512 65.356 1.00 0.00 O ATOM 1377 CB ASN A 79 -13.103 5.673 65.146 1.00 0.00 C ATOM 1378 CG ASN A 79 -13.413 5.408 66.621 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -12.533 5.191 67.437 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -14.710 5.436 66.915 1.00 0.00 N ATOM 0 H ASN A 79 -13.403 6.789 62.910 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.405 7.748 65.633 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -13.934 5.331 64.529 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -12.226 5.099 64.846 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -15.020 5.270 67.873 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.395 5.624 66.183 1.00 0.00 H new ATOM 1387 N ASP A 80 -10.962 8.643 64.699 1.00 0.00 N ATOM 1388 CA ASP A 80 -9.562 9.024 64.757 1.00 0.00 C ATOM 1389 C ASP A 80 -9.145 9.197 66.219 1.00 0.00 C ATOM 1390 O ASP A 80 -9.291 10.278 66.787 1.00 0.00 O ATOM 1391 CB ASP A 80 -9.322 10.353 64.038 1.00 0.00 C ATOM 1392 CG ASP A 80 -8.013 11.058 64.400 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -7.027 10.414 64.789 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -8.031 12.341 64.269 1.00 0.00 O ATOM 0 H ASP A 80 -11.595 9.388 64.409 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.980 8.241 64.272 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.336 10.175 62.963 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.152 11.024 64.260 1.00 0.00 H new ATOM 1400 N GLN A 81 -8.635 8.114 66.787 1.00 0.00 N ATOM 1401 CA GLN A 81 -8.196 8.132 68.172 1.00 0.00 C ATOM 1402 C GLN A 81 -9.262 8.779 69.059 1.00 0.00 C ATOM 1403 O GLN A 81 -10.361 9.078 68.595 1.00 0.00 O ATOM 1404 CB GLN A 81 -6.854 8.852 68.313 1.00 0.00 C ATOM 1405 CG GLN A 81 -7.009 10.354 68.063 1.00 0.00 C ATOM 1406 CD GLN A 81 -5.807 11.127 68.608 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -5.014 10.625 69.388 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -5.716 12.375 68.156 1.00 0.00 N ATOM 0 H GLN A 81 -8.516 7.219 66.313 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.054 7.102 68.501 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.451 8.686 69.312 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.137 8.434 67.606 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.111 10.540 66.994 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.922 10.713 68.537 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.414 12.733 67.504 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.948 12.973 68.461 1.00 0.00 H new ATOM 1417 N ALA A 82 -8.899 8.977 70.317 1.00 0.00 N ATOM 1418 CA ALA A 82 -9.810 9.584 71.272 1.00 0.00 C ATOM 1419 C ALA A 82 -11.205 8.979 71.096 1.00 0.00 C ATOM 1420 O ALA A 82 -12.012 9.489 70.320 1.00 0.00 O ATOM 1421 CB ALA A 82 -9.806 11.103 71.088 1.00 0.00 C ATOM 0 H ALA A 82 -7.986 8.728 70.698 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.488 9.379 72.293 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.490 11.558 71.805 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.799 11.487 71.253 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.126 11.348 70.075 1.00 0.00 H new ATOM 1427 N ASN A 83 -11.444 7.901 71.828 1.00 0.00 N ATOM 1428 CA ASN A 83 -12.727 7.222 71.761 1.00 0.00 C ATOM 1429 C ASN A 83 -13.595 7.665 72.940 1.00 0.00 C ATOM 1430 O ASN A 83 -13.569 7.046 74.003 1.00 0.00 O ATOM 1431 CB ASN A 83 -12.551 5.704 71.848 1.00 0.00 C ATOM 1432 CG ASN A 83 -12.548 5.073 70.454 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -13.729 4.595 70.074 1.00 0.00 O flip ATOM 1434 ND2 ASN A 83 -11.539 5.022 69.770 1.00 0.00 N flip ATOM 0 H ASN A 83 -10.772 7.481 72.470 1.00 0.00 H new ATOM 0 HA ASN A 83 -13.195 7.478 70.810 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.617 5.471 72.359 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -13.356 5.274 72.444 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -10.664 5.409 70.123 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -11.571 4.593 68.845 1.00 0.00 H new ATOM 1441 N THR A 84 -14.345 8.734 72.713 1.00 0.00 N ATOM 1442 CA THR A 84 -15.220 9.268 73.743 1.00 0.00 C ATOM 1443 C THR A 84 -16.598 9.586 73.160 1.00 0.00 C ATOM 1444 O THR A 84 -16.815 10.676 72.632 1.00 0.00 O ATOM 1445 CB THR A 84 -14.529 10.481 74.368 1.00 0.00 C ATOM 1446 OG1 THR A 84 -14.074 11.236 73.249 1.00 0.00 O ATOM 1447 CG2 THR A 84 -13.245 10.106 75.111 1.00 0.00 C ATOM 0 H THR A 84 -14.365 9.245 71.830 1.00 0.00 H new ATOM 0 HA THR A 84 -15.397 8.536 74.531 1.00 0.00 H new ATOM 0 HB THR A 84 -15.215 10.974 75.056 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.811 11.357 72.614 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.795 11.003 75.535 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.480 9.404 75.912 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.545 9.643 74.416 1.00 0.00 H new ATOM 1455 N LEU A 85 -17.492 8.616 73.275 1.00 0.00 N ATOM 1456 CA LEU A 85 -18.843 8.779 72.765 1.00 0.00 C ATOM 1457 C LEU A 85 -19.825 8.820 73.939 1.00 0.00 C ATOM 1458 O LEU A 85 -20.996 9.151 73.761 1.00 0.00 O ATOM 1459 CB LEU A 85 -19.162 7.695 71.734 1.00 0.00 C ATOM 1460 CG LEU A 85 -19.563 6.330 72.298 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -21.085 6.177 72.332 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -18.890 5.197 71.520 1.00 0.00 C ATOM 0 H LEU A 85 -17.308 7.714 73.714 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.938 9.727 72.235 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -19.970 8.054 71.097 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.289 7.560 71.096 1.00 0.00 H new ATOM 0 HG LEU A 85 -19.210 6.268 73.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -21.343 5.199 72.737 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -21.515 6.956 72.962 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -21.482 6.268 71.321 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -19.191 4.238 71.941 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -19.191 5.245 70.474 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.807 5.300 71.591 1.00 0.00 H new ATOM 1474 N VAL A 86 -19.311 8.478 75.111 1.00 0.00 N ATOM 1475 CA VAL A 86 -20.127 8.471 76.313 1.00 0.00 C ATOM 1476 C VAL A 86 -19.241 8.170 77.524 1.00 0.00 C ATOM 1477 O VAL A 86 -19.472 7.196 78.239 1.00 0.00 O ATOM 1478 CB VAL A 86 -21.282 7.479 76.155 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -20.762 6.043 76.067 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -22.292 7.629 77.294 1.00 0.00 C ATOM 0 H VAL A 86 -18.339 8.204 75.254 1.00 0.00 H new ATOM 0 HA VAL A 86 -20.577 9.450 76.475 1.00 0.00 H new ATOM 0 HB VAL A 86 -21.795 7.707 75.221 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -21.602 5.358 75.955 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -20.099 5.948 75.207 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -20.213 5.798 76.976 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -23.103 6.913 77.158 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -21.797 7.440 78.247 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -22.697 8.641 77.290 1.00 0.00 H new ATOM 1490 N ASP A 87 -18.247 9.023 77.716 1.00 0.00 N ATOM 1491 CA ASP A 87 -17.325 8.861 78.828 1.00 0.00 C ATOM 1492 C ASP A 87 -16.240 9.936 78.746 1.00 0.00 C ATOM 1493 O ASP A 87 -15.068 9.626 78.540 1.00 0.00 O ATOM 1494 CB ASP A 87 -16.641 7.494 78.780 1.00 0.00 C ATOM 1495 CG ASP A 87 -15.900 7.186 77.478 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -16.479 7.250 76.383 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -14.659 6.864 77.619 1.00 0.00 O ATOM 0 H ASP A 87 -18.059 9.829 77.120 1.00 0.00 H new ATOM 0 HA ASP A 87 -17.894 8.948 79.754 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.934 7.430 79.607 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.393 6.722 78.943 1.00 0.00 H new ATOM 1503 N LEU A 88 -16.669 11.179 78.912 1.00 0.00 N ATOM 1504 CA LEU A 88 -15.749 12.302 78.860 1.00 0.00 C ATOM 1505 C LEU A 88 -15.201 12.572 80.263 1.00 0.00 C ATOM 1506 O LEU A 88 -14.632 13.633 80.517 1.00 0.00 O ATOM 1507 CB LEU A 88 -16.421 13.516 78.217 1.00 0.00 C ATOM 1508 CG LEU A 88 -17.547 14.165 79.025 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -17.193 15.606 79.399 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -18.879 14.077 78.278 1.00 0.00 C ATOM 0 H LEU A 88 -17.642 11.433 79.083 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.895 12.066 78.224 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.657 14.270 78.025 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.822 13.214 77.249 1.00 0.00 H new ATOM 0 HG LEU A 88 -17.663 13.610 79.956 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.010 16.044 79.973 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.283 15.613 79.999 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.033 16.189 78.492 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -19.662 14.546 78.874 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.794 14.592 77.321 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -19.131 13.031 78.106 1.00 0.00 H new ATOM 1522 N ALA A 89 -15.394 11.595 81.137 1.00 0.00 N ATOM 1523 CA ALA A 89 -14.927 11.715 82.508 1.00 0.00 C ATOM 1524 C ALA A 89 -15.776 12.754 83.243 1.00 0.00 C ATOM 1525 O ALA A 89 -15.395 13.919 83.336 1.00 0.00 O ATOM 1526 CB ALA A 89 -13.439 12.071 82.511 1.00 0.00 C ATOM 0 H ALA A 89 -15.867 10.717 80.923 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.037 10.767 83.035 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.089 12.161 83.539 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.876 11.288 82.003 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.290 13.018 81.993 1.00 0.00 H new ATOM 1532 N LYS A 90 -16.912 12.293 83.746 1.00 0.00 N ATOM 1533 CA LYS A 90 -17.819 13.167 84.470 1.00 0.00 C ATOM 1534 C LYS A 90 -18.484 12.381 85.602 1.00 0.00 C ATOM 1535 O LYS A 90 -19.678 12.094 85.545 1.00 0.00 O ATOM 1536 CB LYS A 90 -18.813 13.822 83.510 1.00 0.00 C ATOM 1537 CG LYS A 90 -19.871 12.817 83.047 1.00 0.00 C ATOM 1538 CD LYS A 90 -20.350 13.140 81.630 1.00 0.00 C ATOM 1539 CE LYS A 90 -21.875 13.052 81.534 1.00 0.00 C ATOM 1540 NZ LYS A 90 -22.288 11.709 81.070 1.00 0.00 N ATOM 0 H LYS A 90 -17.225 11.325 83.666 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.269 13.987 84.931 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -19.298 14.665 84.002 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.281 14.220 82.646 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.457 11.809 83.074 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -20.718 12.832 83.733 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -20.021 14.141 81.350 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -19.897 12.446 80.922 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -22.319 13.259 82.508 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -22.246 13.811 80.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -23.325 11.666 81.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -21.879 11.525 80.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.950 10.991 81.742 1.00 0.00 H new ATOM 1553 N THR A 91 -17.680 12.054 86.604 1.00 0.00 N ATOM 1554 CA THR A 91 -18.176 11.307 87.747 1.00 0.00 C ATOM 1555 C THR A 91 -17.010 10.778 88.584 1.00 0.00 C ATOM 1556 O THR A 91 -17.136 10.612 89.797 1.00 0.00 O ATOM 1557 CB THR A 91 -19.100 10.204 87.227 1.00 0.00 C ATOM 1558 OG1 THR A 91 -19.007 9.179 88.212 1.00 0.00 O ATOM 1559 CG2 THR A 91 -18.566 9.546 85.953 1.00 0.00 C ATOM 0 H THR A 91 -16.689 12.293 86.647 1.00 0.00 H new ATOM 0 HA THR A 91 -18.753 11.945 88.416 1.00 0.00 H new ATOM 0 HB THR A 91 -20.089 10.620 87.034 1.00 0.00 H new ATOM 0 HG1 THR A 91 -19.577 8.425 87.954 1.00 0.00 H new ATOM 0 HG21 THR A 91 -19.259 8.771 85.626 1.00 0.00 H new ATOM 0 HG22 THR A 91 -18.466 10.297 85.170 1.00 0.00 H new ATOM 0 HG23 THR A 91 -17.592 9.101 86.154 1.00 0.00 H new ATOM 1567 N GLN A 92 -15.901 10.527 87.904 1.00 0.00 N ATOM 1568 CA GLN A 92 -14.713 10.020 88.570 1.00 0.00 C ATOM 1569 C GLN A 92 -15.099 8.978 89.623 1.00 0.00 C ATOM 1570 O GLN A 92 -14.823 9.157 90.808 1.00 0.00 O ATOM 1571 CB GLN A 92 -13.907 11.159 89.196 1.00 0.00 C ATOM 1572 CG GLN A 92 -12.707 11.527 88.321 1.00 0.00 C ATOM 1573 CD GLN A 92 -11.612 10.462 88.416 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -11.694 9.397 87.826 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -10.586 10.808 89.188 1.00 0.00 N ATOM 0 H GLN A 92 -15.800 10.665 86.898 1.00 0.00 H new ATOM 0 HA GLN A 92 -14.080 9.538 87.825 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -14.546 12.032 89.328 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.562 10.863 90.187 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.027 11.633 87.284 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.308 12.493 88.632 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.581 11.716 89.653 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.804 10.166 89.315 1.00 0.00 H new TER 1584 GLN A 92