USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 77 GLN : amide:sc= 0.9 K(o=0.23,f=-0.5) USER MOD Set 1.2: A 86 HIS : no HE2:sc= -0.67 X(o=0.23,f=-0.0068) USER MOD Set 2.1: A 72 SER OG : rot -111:sc= 0.514 USER MOD Set 2.2: A 74 CYS SG : rot 180:sc= 0.75 USER MOD Set 3.1: A 33 GLN : amide:sc= 0.806 K(o=3.1,f=-8.2!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 138:sc= 2.29 (180deg=0.0235) USER MOD Set 4.1: A 34 GLN : amide:sc= 1.03 K(o=2.3,f=-6.9!) USER MOD Set 4.2: A 57 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0736 K(o=-0.074,f=-3.9!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 110:sc= -0.346 USER MOD Single : A 50 THR OG1 : rot 75:sc= -0.361! USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD Single : A 59 SER OG : rot -43:sc= 1.11 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.105 K(o=-0.1,f=-3.6!) USER MOD Single : A 91 MET CE :methyl -135:sc= -0.0101 (180deg=-1.1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -39:sc= 1 USER MOD Single : A 111 CYS SG : rot -160:sc= -0.0266 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl -141:sc= -0.646 (180deg=-3!) USER MOD Single : A 117 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.5!) USER MOD Single : A 119 LYS NZ :NH3+ -113:sc= 1.24 (180deg=0.186) USER MOD Single : A 120 MET CE :methyl -162:sc= -0.226 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 1.619 21.033 2.423 1.00 0.00 N ATOM 2 CA GLY A 26 1.746 20.312 3.728 1.00 0.00 C ATOM 3 C GLY A 26 1.650 18.804 3.570 1.00 0.00 C ATOM 4 O GLY A 26 1.714 18.055 4.550 1.00 0.00 O ATOM 0 HA2 GLY A 26 2.701 20.566 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.964 20.654 4.406 1.00 0.00 H new ATOM 7 N ALA A 27 1.499 18.360 2.328 1.00 0.00 N ATOM 8 CA ALA A 27 1.391 16.938 2.021 1.00 0.00 C ATOM 9 C ALA A 27 2.767 16.273 1.947 1.00 0.00 C ATOM 10 O ALA A 27 3.403 16.240 0.892 1.00 0.00 O ATOM 11 CB ALA A 27 0.632 16.736 0.716 1.00 0.00 C ATOM 0 H ALA A 27 1.448 18.969 1.511 1.00 0.00 H new ATOM 0 HA ALA A 27 0.837 16.463 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.559 15.670 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.369 17.157 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.162 17.236 -0.095 1.00 0.00 H new ATOM 17 N MET A 28 3.221 15.741 3.078 1.00 0.00 N ATOM 18 CA MET A 28 4.521 15.077 3.147 1.00 0.00 C ATOM 19 C MET A 28 4.434 13.639 2.633 1.00 0.00 C ATOM 20 O MET A 28 3.977 12.741 3.343 1.00 0.00 O ATOM 21 CB MET A 28 5.048 15.091 4.584 1.00 0.00 C ATOM 22 CG MET A 28 6.545 15.338 4.683 1.00 0.00 C ATOM 23 SD MET A 28 7.094 16.714 3.654 1.00 0.00 S ATOM 24 CE MET A 28 6.610 18.112 4.662 1.00 0.00 C ATOM 0 H MET A 28 2.709 15.756 3.960 1.00 0.00 H new ATOM 0 HA MET A 28 5.213 15.625 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.523 15.863 5.147 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.814 14.137 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.808 15.539 5.722 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.078 14.434 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.885 19.038 4.156 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.532 18.091 4.820 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.119 18.060 5.625 1.00 0.00 H new ATOM 34 N GLY A 29 4.870 13.431 1.395 1.00 0.00 N ATOM 35 CA GLY A 29 4.834 12.103 0.802 1.00 0.00 C ATOM 36 C GLY A 29 5.970 11.210 1.270 1.00 0.00 C ATOM 37 O GLY A 29 6.920 11.672 1.905 1.00 0.00 O ATOM 0 H GLY A 29 5.249 14.159 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.883 11.629 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.876 12.195 -0.283 1.00 0.00 H new ATOM 41 N GLN A 30 5.870 9.924 0.964 1.00 0.00 N ATOM 42 CA GLN A 30 6.897 8.963 1.358 1.00 0.00 C ATOM 43 C GLN A 30 7.379 8.139 0.162 1.00 0.00 C ATOM 44 O GLN A 30 6.579 7.586 -0.593 1.00 0.00 O ATOM 45 CB GLN A 30 6.364 8.033 2.451 1.00 0.00 C ATOM 46 CG GLN A 30 6.968 8.293 3.823 1.00 0.00 C ATOM 47 CD GLN A 30 6.049 9.092 4.727 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.399 8.545 5.612 1.00 0.00 O ATOM 49 NE2 GLN A 30 5.988 10.398 4.510 1.00 0.00 N ATOM 0 H GLN A 30 5.090 9.520 0.445 1.00 0.00 H new ATOM 0 HA GLN A 30 7.746 9.526 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.281 8.143 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.563 7.000 2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.201 7.340 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.910 8.829 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.543 10.818 3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.386 10.984 5.089 1.00 0.00 H new ATOM 58 N LYS A 31 8.694 8.061 0.001 1.00 0.00 N ATOM 59 CA LYS A 31 9.285 7.301 -1.091 1.00 0.00 C ATOM 60 C LYS A 31 9.575 5.867 -0.658 1.00 0.00 C ATOM 61 O LYS A 31 10.167 5.632 0.396 1.00 0.00 O ATOM 62 CB LYS A 31 10.570 7.971 -1.576 1.00 0.00 C ATOM 63 CG LYS A 31 10.493 8.435 -3.019 1.00 0.00 C ATOM 64 CD LYS A 31 11.661 9.332 -3.381 1.00 0.00 C ATOM 65 CE LYS A 31 12.906 8.516 -3.675 1.00 0.00 C ATOM 66 NZ LYS A 31 14.124 9.368 -3.766 1.00 0.00 N ATOM 0 H LYS A 31 9.371 8.515 0.614 1.00 0.00 H new ATOM 0 HA LYS A 31 8.569 7.277 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.790 8.826 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.399 7.272 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.481 7.568 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.558 8.972 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.404 9.935 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.860 10.023 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.043 7.770 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.772 7.975 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.951 8.771 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.005 10.064 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.268 9.865 -2.864 1.00 0.00 H new ATOM 80 N ALA A 32 9.145 4.915 -1.475 1.00 0.00 N ATOM 81 CA ALA A 32 9.354 3.500 -1.179 1.00 0.00 C ATOM 82 C ALA A 32 10.808 3.089 -1.408 1.00 0.00 C ATOM 83 O ALA A 32 11.506 3.666 -2.246 1.00 0.00 O ATOM 84 CB ALA A 32 8.421 2.646 -2.020 1.00 0.00 C ATOM 0 H ALA A 32 8.649 5.094 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 32 9.128 3.340 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.586 1.593 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.387 2.908 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.620 2.823 -3.077 1.00 0.00 H new ATOM 90 N GLN A 33 11.258 2.085 -0.665 1.00 0.00 N ATOM 91 CA GLN A 33 12.631 1.605 -0.787 1.00 0.00 C ATOM 92 C GLN A 33 12.791 0.699 -2.010 1.00 0.00 C ATOM 93 O GLN A 33 11.920 -0.117 -2.317 1.00 0.00 O ATOM 94 CB GLN A 33 13.066 0.870 0.490 1.00 0.00 C ATOM 95 CG GLN A 33 12.397 -0.482 0.696 1.00 0.00 C ATOM 96 CD GLN A 33 12.601 -1.037 2.094 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.005 -2.184 2.267 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.318 -0.229 3.103 1.00 0.00 N ATOM 0 H GLN A 33 10.696 1.588 0.026 1.00 0.00 H new ATOM 0 HA GLN A 33 13.278 2.472 -0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.146 0.727 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.850 1.503 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.329 -0.386 0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.791 -1.191 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.985 0.718 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.433 -0.553 4.063 1.00 0.00 H new ATOM 107 N GLN A 34 13.906 0.861 -2.711 1.00 0.00 N ATOM 108 CA GLN A 34 14.182 0.061 -3.899 1.00 0.00 C ATOM 109 C GLN A 34 15.089 -1.120 -3.558 1.00 0.00 C ATOM 110 O GLN A 34 16.247 -0.940 -3.176 1.00 0.00 O ATOM 111 CB GLN A 34 14.824 0.931 -4.984 1.00 0.00 C ATOM 112 CG GLN A 34 13.813 1.706 -5.815 1.00 0.00 C ATOM 113 CD GLN A 34 14.185 3.167 -5.985 1.00 0.00 C ATOM 114 OE1 GLN A 34 14.845 3.544 -6.951 1.00 0.00 O ATOM 115 NE2 GLN A 34 13.759 4.002 -5.050 1.00 0.00 N ATOM 0 H GLN A 34 14.633 1.538 -2.479 1.00 0.00 H new ATOM 0 HA GLN A 34 13.238 -0.332 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.513 1.634 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.416 0.297 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.726 1.242 -6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.833 1.638 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.213 3.651 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.976 4.996 -5.117 1.00 0.00 H new ATOM 124 N LYS A 35 14.550 -2.325 -3.692 1.00 0.00 N ATOM 125 CA LYS A 35 15.301 -3.544 -3.395 1.00 0.00 C ATOM 126 C LYS A 35 15.940 -4.126 -4.662 1.00 0.00 C ATOM 127 O LYS A 35 16.198 -3.410 -5.630 1.00 0.00 O ATOM 128 CB LYS A 35 14.383 -4.580 -2.738 1.00 0.00 C ATOM 129 CG LYS A 35 13.455 -3.997 -1.680 1.00 0.00 C ATOM 130 CD LYS A 35 13.973 -4.261 -0.272 1.00 0.00 C ATOM 131 CE LYS A 35 13.095 -5.256 0.472 1.00 0.00 C ATOM 132 NZ LYS A 35 12.900 -4.869 1.897 1.00 0.00 N ATOM 0 H LYS A 35 13.593 -2.487 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 35 16.103 -3.288 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.782 -5.060 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.996 -5.357 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.354 -2.923 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.461 -4.430 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.992 -4.643 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.012 -3.324 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.125 -5.324 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.548 -6.246 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.907 -5.024 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.517 -5.448 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.140 -3.864 2.020 1.00 0.00 H new ATOM 146 N ASN A 36 16.184 -5.436 -4.655 1.00 0.00 N ATOM 147 CA ASN A 36 16.810 -6.110 -5.794 1.00 0.00 C ATOM 148 C ASN A 36 15.802 -6.448 -6.898 1.00 0.00 C ATOM 149 O ASN A 36 15.423 -7.608 -7.071 1.00 0.00 O ATOM 150 CB ASN A 36 17.511 -7.386 -5.323 1.00 0.00 C ATOM 151 CG ASN A 36 18.842 -7.603 -6.014 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.870 -7.084 -5.587 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.834 -8.372 -7.090 1.00 0.00 N ATOM 0 H ASN A 36 15.958 -6.052 -3.874 1.00 0.00 H new ATOM 0 HA ASN A 36 17.539 -5.420 -6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.668 -7.334 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.864 -8.243 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.702 -8.551 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.960 -8.786 -7.415 1.00 0.00 H new ATOM 160 N GLY A 37 15.371 -5.432 -7.643 1.00 0.00 N ATOM 161 CA GLY A 37 14.431 -5.657 -8.735 1.00 0.00 C ATOM 162 C GLY A 37 12.988 -5.325 -8.387 1.00 0.00 C ATOM 163 O GLY A 37 12.126 -5.312 -9.263 1.00 0.00 O ATOM 0 H GLY A 37 15.653 -4.460 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.735 -5.056 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.489 -6.701 -9.041 1.00 0.00 H new ATOM 167 N TYR A 38 12.720 -5.059 -7.114 1.00 0.00 N ATOM 168 CA TYR A 38 11.365 -4.733 -6.667 1.00 0.00 C ATOM 169 C TYR A 38 11.386 -3.630 -5.608 1.00 0.00 C ATOM 170 O TYR A 38 12.432 -3.325 -5.043 1.00 0.00 O ATOM 171 CB TYR A 38 10.662 -5.988 -6.127 1.00 0.00 C ATOM 172 CG TYR A 38 11.290 -6.585 -4.883 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.458 -7.338 -4.957 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.706 -6.407 -3.634 1.00 0.00 C ATOM 175 CE1 TYR A 38 13.025 -7.891 -3.825 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.267 -6.958 -2.498 1.00 0.00 C ATOM 177 CZ TYR A 38 12.426 -7.699 -2.599 1.00 0.00 C ATOM 178 OH TYR A 38 12.986 -8.250 -1.469 1.00 0.00 O ATOM 0 H TYR A 38 13.420 -5.062 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 38 10.805 -4.363 -7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.623 -5.740 -5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.651 -6.746 -6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.929 -7.493 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.798 -5.828 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.933 -8.471 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.800 -6.809 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 38 12.441 -8.019 -0.688 1.00 0.00 H new ATOM 188 N GLN A 39 10.230 -3.026 -5.350 1.00 0.00 N ATOM 189 CA GLN A 39 10.138 -1.956 -4.355 1.00 0.00 C ATOM 190 C GLN A 39 9.270 -2.372 -3.170 1.00 0.00 C ATOM 191 O GLN A 39 8.379 -3.212 -3.301 1.00 0.00 O ATOM 192 CB GLN A 39 9.582 -0.669 -4.974 1.00 0.00 C ATOM 193 CG GLN A 39 9.577 -0.662 -6.494 1.00 0.00 C ATOM 194 CD GLN A 39 10.175 0.605 -7.071 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.587 1.679 -6.985 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.348 0.485 -7.671 1.00 0.00 N ATOM 0 H GLN A 39 9.349 -3.255 -5.810 1.00 0.00 H new ATOM 0 HA GLN A 39 11.150 -1.765 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.563 -0.518 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.172 0.176 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.136 -1.523 -6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.553 -0.772 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.804 -0.426 -7.721 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.796 1.303 -8.083 1.00 0.00 H new ATOM 205 N GLU A 40 9.533 -1.769 -2.016 1.00 0.00 N ATOM 206 CA GLU A 40 8.784 -2.080 -0.801 1.00 0.00 C ATOM 207 C GLU A 40 8.562 -0.831 0.055 1.00 0.00 C ATOM 208 O GLU A 40 9.427 0.039 0.144 1.00 0.00 O ATOM 209 CB GLU A 40 9.536 -3.140 0.009 1.00 0.00 C ATOM 210 CG GLU A 40 8.720 -3.762 1.132 1.00 0.00 C ATOM 211 CD GLU A 40 9.553 -4.039 2.370 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.137 -5.146 2.462 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.633 -3.149 3.242 1.00 0.00 O ATOM 0 H GLU A 40 10.258 -1.062 -1.895 1.00 0.00 H new ATOM 0 HA GLU A 40 7.806 -2.464 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.866 -3.930 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.432 -2.688 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.898 -3.095 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.275 -4.693 0.781 1.00 0.00 H new ATOM 220 N ILE A 41 7.395 -0.745 0.680 1.00 0.00 N ATOM 221 CA ILE A 41 7.070 0.391 1.540 1.00 0.00 C ATOM 222 C ILE A 41 6.267 -0.057 2.764 1.00 0.00 C ATOM 223 O ILE A 41 5.265 -0.765 2.642 1.00 0.00 O ATOM 224 CB ILE A 41 6.294 1.495 0.775 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.719 2.533 1.746 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.179 0.890 -0.063 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.371 3.896 1.644 1.00 0.00 C ATOM 0 H ILE A 41 6.657 -1.446 0.609 1.00 0.00 H new ATOM 0 HA ILE A 41 8.018 0.814 1.873 1.00 0.00 H new ATOM 0 HB ILE A 41 6.997 1.995 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.650 2.638 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.830 2.163 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.649 1.683 -0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.604 0.194 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.484 0.358 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.910 4.574 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.436 3.807 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.237 4.289 0.636 1.00 0.00 H new ATOM 239 N ARG A 42 6.727 0.344 3.946 1.00 0.00 N ATOM 240 CA ARG A 42 6.054 -0.007 5.192 1.00 0.00 C ATOM 241 C ARG A 42 4.986 1.025 5.552 1.00 0.00 C ATOM 242 O ARG A 42 5.293 2.139 5.980 1.00 0.00 O ATOM 243 CB ARG A 42 7.072 -0.133 6.328 1.00 0.00 C ATOM 244 CG ARG A 42 6.905 -1.399 7.152 1.00 0.00 C ATOM 245 CD ARG A 42 8.229 -1.859 7.744 1.00 0.00 C ATOM 246 NE ARG A 42 8.108 -2.196 9.162 1.00 0.00 N ATOM 247 CZ ARG A 42 7.761 -3.392 9.611 1.00 0.00 C ATOM 248 NH1 ARG A 42 7.511 -4.373 8.777 1.00 0.00 N ATOM 249 NH2 ARG A 42 7.666 -3.609 10.898 1.00 0.00 N ATOM 0 H ARG A 42 7.565 0.913 4.067 1.00 0.00 H new ATOM 0 HA ARG A 42 5.561 -0.969 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.078 -0.112 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.982 0.733 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.189 -1.220 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.491 -2.190 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.589 -2.729 7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.974 -1.073 7.621 1.00 0.00 H new ATOM 0 HE ARG A 42 8.303 -1.465 9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.583 -4.218 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.244 -5.291 9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.859 -2.856 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.398 -4.531 11.241 1.00 0.00 H new ATOM 263 N VAL A 43 3.730 0.641 5.371 1.00 0.00 N ATOM 264 CA VAL A 43 2.600 1.514 5.668 1.00 0.00 C ATOM 265 C VAL A 43 2.003 1.177 7.034 1.00 0.00 C ATOM 266 O VAL A 43 1.297 0.176 7.193 1.00 0.00 O ATOM 267 CB VAL A 43 1.515 1.404 4.571 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.370 2.373 4.825 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.123 1.662 3.203 1.00 0.00 C ATOM 0 H VAL A 43 3.465 -0.278 5.017 1.00 0.00 H new ATOM 0 HA VAL A 43 2.966 2.541 5.690 1.00 0.00 H new ATOM 0 HB VAL A 43 1.112 0.391 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.375 2.270 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.088 2.150 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.752 3.394 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.349 1.582 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.554 2.663 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.903 0.927 3.007 1.00 0.00 H new ATOM 279 N GLU A 44 2.311 2.011 8.023 1.00 0.00 N ATOM 280 CA GLU A 44 1.811 1.811 9.382 1.00 0.00 C ATOM 281 C GLU A 44 0.324 2.150 9.468 1.00 0.00 C ATOM 282 O GLU A 44 -0.083 3.293 9.234 1.00 0.00 O ATOM 283 CB GLU A 44 2.609 2.661 10.374 1.00 0.00 C ATOM 284 CG GLU A 44 2.575 2.130 11.799 1.00 0.00 C ATOM 285 CD GLU A 44 3.841 1.384 12.178 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.781 2.029 12.686 1.00 0.00 O ATOM 287 OE2 GLU A 44 3.889 0.154 11.965 1.00 0.00 O ATOM 0 H GLU A 44 2.905 2.833 7.910 1.00 0.00 H new ATOM 0 HA GLU A 44 1.938 0.760 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.645 2.716 10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.217 3.678 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.428 2.961 12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.719 1.465 11.914 1.00 0.00 H new ATOM 294 N VAL A 45 -0.477 1.148 9.815 1.00 0.00 N ATOM 295 CA VAL A 45 -1.922 1.304 9.917 1.00 0.00 C ATOM 296 C VAL A 45 -2.366 1.481 11.374 1.00 0.00 C ATOM 297 O VAL A 45 -2.502 0.512 12.129 1.00 0.00 O ATOM 298 CB VAL A 45 -2.641 0.089 9.284 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.130 0.098 9.581 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.408 0.061 7.782 1.00 0.00 C ATOM 0 H VAL A 45 -0.144 0.209 10.032 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.198 2.206 9.370 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.219 -0.811 9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.598 -0.771 9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.286 0.064 10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.576 1.007 9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.920 -0.799 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.798 0.976 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.339 -0.014 7.581 1.00 0.00 H new ATOM 310 N MET A 46 -2.569 2.733 11.768 1.00 0.00 N ATOM 311 CA MET A 46 -3.010 3.058 13.125 1.00 0.00 C ATOM 312 C MET A 46 -3.978 4.241 13.101 1.00 0.00 C ATOM 313 O MET A 46 -3.583 5.394 13.282 1.00 0.00 O ATOM 314 CB MET A 46 -1.813 3.362 14.033 1.00 0.00 C ATOM 315 CG MET A 46 -0.711 4.164 13.356 1.00 0.00 C ATOM 316 SD MET A 46 0.838 4.129 14.276 1.00 0.00 S ATOM 317 CE MET A 46 0.495 5.323 15.568 1.00 0.00 C ATOM 0 H MET A 46 -2.435 3.545 11.166 1.00 0.00 H new ATOM 0 HA MET A 46 -3.530 2.190 13.531 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.163 3.911 14.907 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.395 2.422 14.393 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.543 3.769 12.354 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.037 5.198 13.241 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.363 5.412 16.221 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.277 6.292 15.119 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.365 4.992 16.151 1.00 0.00 H new ATOM 327 N GLY A 47 -5.255 3.947 12.871 1.00 0.00 N ATOM 328 CA GLY A 47 -6.263 4.995 12.792 1.00 0.00 C ATOM 329 C GLY A 47 -6.336 5.588 11.395 1.00 0.00 C ATOM 330 O GLY A 47 -7.129 6.490 11.125 1.00 0.00 O ATOM 0 H GLY A 47 -5.612 3.001 12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.236 4.588 13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.031 5.781 13.511 1.00 0.00 H new ATOM 334 N GLY A 48 -5.496 5.060 10.512 1.00 0.00 N ATOM 335 CA GLY A 48 -5.435 5.509 9.139 1.00 0.00 C ATOM 336 C GLY A 48 -4.122 5.113 8.489 1.00 0.00 C ATOM 337 O GLY A 48 -3.363 4.325 9.056 1.00 0.00 O ATOM 0 H GLY A 48 -4.842 4.310 10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.265 5.082 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.549 6.592 9.103 1.00 0.00 H new ATOM 341 N TYR A 49 -3.851 5.650 7.309 1.00 0.00 N ATOM 342 CA TYR A 49 -2.610 5.345 6.601 1.00 0.00 C ATOM 343 C TYR A 49 -1.533 6.369 6.952 1.00 0.00 C ATOM 344 O TYR A 49 -1.751 7.573 6.817 1.00 0.00 O ATOM 345 CB TYR A 49 -2.848 5.329 5.086 1.00 0.00 C ATOM 346 CG TYR A 49 -3.987 4.428 4.654 1.00 0.00 C ATOM 347 CD1 TYR A 49 -4.017 3.086 5.017 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.032 4.922 3.886 1.00 0.00 C ATOM 349 CE1 TYR A 49 -5.058 2.264 4.625 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.077 4.108 3.491 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.085 2.782 3.863 1.00 0.00 C ATOM 352 OH TYR A 49 -7.125 1.969 3.472 1.00 0.00 O ATOM 0 H TYR A 49 -4.469 6.297 6.820 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.270 4.357 6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.054 6.345 4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.934 5.007 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.215 2.679 5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.029 5.961 3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.067 1.223 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.883 4.510 2.894 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.940 2.227 3.952 1.00 0.00 H new ATOM 362 N THR A 50 -0.374 5.893 7.411 1.00 0.00 N ATOM 363 CA THR A 50 0.723 6.791 7.784 1.00 0.00 C ATOM 364 C THR A 50 1.264 7.552 6.559 1.00 0.00 C ATOM 365 O THR A 50 1.166 8.779 6.514 1.00 0.00 O ATOM 366 CB THR A 50 1.860 6.043 8.520 1.00 0.00 C ATOM 367 OG1 THR A 50 1.387 5.578 9.790 1.00 0.00 O ATOM 368 CG2 THR A 50 3.071 6.943 8.726 1.00 0.00 C ATOM 0 H THR A 50 -0.171 4.901 7.533 1.00 0.00 H new ATOM 0 HA THR A 50 0.313 7.522 8.481 1.00 0.00 H new ATOM 0 HB THR A 50 2.164 5.197 7.904 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.801 4.803 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.852 6.388 9.246 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.445 7.277 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.783 7.809 9.322 1.00 0.00 H new ATOM 376 N PRO A 51 1.852 6.864 5.548 1.00 0.00 N ATOM 377 CA PRO A 51 2.336 7.546 4.346 1.00 0.00 C ATOM 378 C PRO A 51 1.176 7.950 3.434 1.00 0.00 C ATOM 379 O PRO A 51 0.677 7.139 2.653 1.00 0.00 O ATOM 380 CB PRO A 51 3.216 6.496 3.669 1.00 0.00 C ATOM 381 CG PRO A 51 2.645 5.193 4.102 1.00 0.00 C ATOM 382 CD PRO A 51 2.126 5.410 5.496 1.00 0.00 C ATOM 0 HA PRO A 51 2.869 8.469 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.192 6.598 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.257 6.594 3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.845 4.876 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.403 4.410 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.225 4.826 5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.859 5.114 6.246 1.00 0.00 H new ATOM 390 N GLU A 52 0.741 9.206 3.557 1.00 0.00 N ATOM 391 CA GLU A 52 -0.375 9.730 2.757 1.00 0.00 C ATOM 392 C GLU A 52 -0.183 9.474 1.259 1.00 0.00 C ATOM 393 O GLU A 52 -1.127 9.103 0.562 1.00 0.00 O ATOM 394 CB GLU A 52 -0.565 11.231 3.012 1.00 0.00 C ATOM 395 CG GLU A 52 0.727 12.035 2.986 1.00 0.00 C ATOM 396 CD GLU A 52 1.008 12.736 4.304 1.00 0.00 C ATOM 397 OE1 GLU A 52 1.246 12.035 5.309 1.00 0.00 O ATOM 398 OE2 GLU A 52 0.987 13.985 4.329 1.00 0.00 O ATOM 0 H GLU A 52 1.144 9.883 4.204 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.271 9.195 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.245 11.633 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.045 11.366 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.558 11.371 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.673 12.777 2.189 1.00 0.00 H new ATOM 405 N LEU A 53 1.037 9.681 0.772 1.00 0.00 N ATOM 406 CA LEU A 53 1.341 9.462 -0.639 1.00 0.00 C ATOM 407 C LEU A 53 2.601 8.613 -0.796 1.00 0.00 C ATOM 408 O LEU A 53 3.684 9.009 -0.363 1.00 0.00 O ATOM 409 CB LEU A 53 1.519 10.796 -1.377 1.00 0.00 C ATOM 410 CG LEU A 53 1.203 12.057 -0.571 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.073 13.214 -1.034 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.270 12.420 -0.699 1.00 0.00 C ATOM 0 H LEU A 53 1.829 9.999 1.331 1.00 0.00 H new ATOM 0 HA LEU A 53 0.498 8.929 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.550 10.861 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.883 10.786 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 53 1.419 11.856 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.836 14.104 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.123 12.958 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.885 13.411 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.475 13.320 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.510 12.601 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.881 11.599 -0.324 1.00 0.00 H new ATOM 424 N ILE A 54 2.456 7.447 -1.417 1.00 0.00 N ATOM 425 CA ILE A 54 3.589 6.547 -1.635 1.00 0.00 C ATOM 426 C ILE A 54 4.137 6.686 -3.056 1.00 0.00 C ATOM 427 O ILE A 54 3.393 6.594 -4.034 1.00 0.00 O ATOM 428 CB ILE A 54 3.217 5.068 -1.373 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.847 4.733 -1.966 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.238 4.775 0.119 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.459 3.277 -1.816 1.00 0.00 C ATOM 0 H ILE A 54 1.567 7.101 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 54 4.358 6.840 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 54 3.959 4.438 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.091 5.353 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.845 4.993 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.974 3.731 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.236 4.966 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.519 5.418 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.477 3.115 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.194 2.651 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.427 3.016 -0.758 1.00 0.00 H new ATOM 443 N VAL A 55 5.438 6.922 -3.164 1.00 0.00 N ATOM 444 CA VAL A 55 6.080 7.083 -4.468 1.00 0.00 C ATOM 445 C VAL A 55 6.754 5.786 -4.925 1.00 0.00 C ATOM 446 O VAL A 55 7.563 5.203 -4.200 1.00 0.00 O ATOM 447 CB VAL A 55 7.120 8.222 -4.442 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.831 8.351 -5.783 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.464 9.539 -4.058 1.00 0.00 C ATOM 0 H VAL A 55 6.071 7.007 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 55 5.294 7.338 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 55 7.867 7.974 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.558 9.162 -5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.344 7.418 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.101 8.566 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.215 10.329 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.690 9.785 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.017 9.448 -3.068 1.00 0.00 H new ATOM 459 N LEU A 56 6.416 5.349 -6.138 1.00 0.00 N ATOM 460 CA LEU A 56 6.976 4.122 -6.708 1.00 0.00 C ATOM 461 C LEU A 56 7.380 4.322 -8.174 1.00 0.00 C ATOM 462 O LEU A 56 6.994 5.306 -8.809 1.00 0.00 O ATOM 463 CB LEU A 56 5.958 2.980 -6.612 1.00 0.00 C ATOM 464 CG LEU A 56 5.552 2.583 -5.192 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.089 2.177 -5.149 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.432 1.452 -4.685 1.00 0.00 C ATOM 0 H LEU A 56 5.754 5.829 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 56 7.867 3.868 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.062 3.268 -7.161 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.371 2.104 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 56 5.688 3.447 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.819 1.898 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.470 3.014 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.927 1.328 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.130 1.182 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.325 0.587 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.473 1.776 -4.679 1.00 0.00 H new ATOM 478 N LYS A 57 8.164 3.387 -8.707 1.00 0.00 N ATOM 479 CA LYS A 57 8.602 3.457 -10.102 1.00 0.00 C ATOM 480 C LYS A 57 7.608 2.738 -11.019 1.00 0.00 C ATOM 481 O LYS A 57 6.641 2.139 -10.550 1.00 0.00 O ATOM 482 CB LYS A 57 9.998 2.850 -10.254 1.00 0.00 C ATOM 483 CG LYS A 57 11.116 3.876 -10.185 1.00 0.00 C ATOM 484 CD LYS A 57 12.404 3.263 -9.661 1.00 0.00 C ATOM 485 CE LYS A 57 13.620 3.849 -10.358 1.00 0.00 C ATOM 486 NZ LYS A 57 14.890 3.464 -9.680 1.00 0.00 N ATOM 0 H LYS A 57 8.509 2.574 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 57 8.643 4.506 -10.395 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.149 2.106 -9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.055 2.325 -11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.288 4.295 -11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.815 4.700 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.480 3.435 -8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.382 2.183 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.644 3.509 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.536 4.936 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.574 4.243 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.702 3.266 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.282 2.614 -10.133 1.00 0.00 H new ATOM 500 N LYS A 58 7.847 2.792 -12.327 1.00 0.00 N ATOM 501 CA LYS A 58 6.947 2.154 -13.290 1.00 0.00 C ATOM 502 C LYS A 58 7.551 0.886 -13.899 1.00 0.00 C ATOM 503 O LYS A 58 8.769 0.775 -14.051 1.00 0.00 O ATOM 504 CB LYS A 58 6.576 3.137 -14.402 1.00 0.00 C ATOM 505 CG LYS A 58 5.366 2.697 -15.213 1.00 0.00 C ATOM 506 CD LYS A 58 5.067 3.655 -16.353 1.00 0.00 C ATOM 507 CE LYS A 58 5.630 3.151 -17.673 1.00 0.00 C ATOM 508 NZ LYS A 58 4.556 2.703 -18.604 1.00 0.00 N ATOM 0 H LYS A 58 8.648 3.266 -12.744 1.00 0.00 H new ATOM 0 HA LYS A 58 6.050 1.862 -12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.375 4.114 -13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.429 3.258 -15.070 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.542 1.699 -15.615 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.497 2.629 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.989 3.787 -16.444 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.490 4.634 -16.127 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.212 3.943 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.314 2.323 -17.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.985 2.336 -19.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.995 1.953 -18.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.938 3.507 -18.833 1.00 0.00 H new ATOM 522 N SER A 59 6.671 -0.071 -14.231 1.00 0.00 N ATOM 523 CA SER A 59 7.058 -1.356 -14.836 1.00 0.00 C ATOM 524 C SER A 59 7.905 -2.201 -13.881 1.00 0.00 C ATOM 525 O SER A 59 8.615 -3.117 -14.304 1.00 0.00 O ATOM 526 CB SER A 59 7.807 -1.133 -16.157 1.00 0.00 C ATOM 527 OG SER A 59 8.133 -2.366 -16.776 1.00 0.00 O ATOM 0 H SER A 59 5.666 0.025 -14.087 1.00 0.00 H new ATOM 0 HA SER A 59 6.140 -1.906 -15.041 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.192 -0.536 -16.831 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.718 -0.565 -15.970 1.00 0.00 H new ATOM 0 HG SER A 59 8.466 -2.993 -16.101 1.00 0.00 H new ATOM 533 N VAL A 60 7.816 -1.897 -12.594 1.00 0.00 N ATOM 534 CA VAL A 60 8.572 -2.617 -11.577 1.00 0.00 C ATOM 535 C VAL A 60 7.640 -3.198 -10.505 1.00 0.00 C ATOM 536 O VAL A 60 6.688 -2.543 -10.080 1.00 0.00 O ATOM 537 CB VAL A 60 9.626 -1.683 -10.925 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.959 -0.631 -10.059 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.638 -2.471 -10.110 1.00 0.00 C ATOM 0 H VAL A 60 7.224 -1.152 -12.227 1.00 0.00 H new ATOM 0 HA VAL A 60 9.088 -3.445 -12.063 1.00 0.00 H new ATOM 0 HB VAL A 60 10.159 -1.181 -11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.720 0.010 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.289 -0.027 -10.671 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.388 -1.119 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.361 -1.786 -9.668 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.123 -3.016 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.157 -3.177 -10.758 1.00 0.00 H new ATOM 549 N PRO A 61 7.871 -4.455 -10.084 1.00 0.00 N ATOM 550 CA PRO A 61 7.057 -5.092 -9.042 1.00 0.00 C ATOM 551 C PRO A 61 7.211 -4.384 -7.694 1.00 0.00 C ATOM 552 O PRO A 61 8.317 -4.245 -7.176 1.00 0.00 O ATOM 553 CB PRO A 61 7.607 -6.521 -8.969 1.00 0.00 C ATOM 554 CG PRO A 61 8.973 -6.445 -9.564 1.00 0.00 C ATOM 555 CD PRO A 61 8.915 -5.357 -10.599 1.00 0.00 C ATOM 0 HA PRO A 61 5.992 -5.055 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.645 -6.876 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.974 -7.215 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.718 -6.219 -8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.256 -7.397 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.873 -4.847 -10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.657 -5.750 -11.582 1.00 0.00 H new ATOM 563 N ALA A 62 6.102 -3.921 -7.137 1.00 0.00 N ATOM 564 CA ALA A 62 6.136 -3.223 -5.856 1.00 0.00 C ATOM 565 C ALA A 62 5.228 -3.891 -4.831 1.00 0.00 C ATOM 566 O ALA A 62 4.123 -4.328 -5.153 1.00 0.00 O ATOM 567 CB ALA A 62 5.744 -1.767 -6.044 1.00 0.00 C ATOM 0 H ALA A 62 5.172 -4.014 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 62 7.156 -3.271 -5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.773 -1.255 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.442 -1.288 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.736 -1.712 -6.454 1.00 0.00 H new ATOM 573 N ARG A 63 5.696 -3.970 -3.591 1.00 0.00 N ATOM 574 CA ARG A 63 4.915 -4.585 -2.530 1.00 0.00 C ATOM 575 C ARG A 63 4.665 -3.604 -1.382 1.00 0.00 C ATOM 576 O ARG A 63 5.587 -2.981 -0.847 1.00 0.00 O ATOM 577 CB ARG A 63 5.595 -5.871 -2.035 1.00 0.00 C ATOM 578 CG ARG A 63 6.838 -5.654 -1.193 1.00 0.00 C ATOM 579 CD ARG A 63 7.741 -6.877 -1.209 1.00 0.00 C ATOM 580 NE ARG A 63 8.613 -6.925 -0.038 1.00 0.00 N ATOM 581 CZ ARG A 63 8.789 -7.997 0.717 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.193 -9.128 0.425 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.570 -7.935 1.767 1.00 0.00 N ATOM 0 H ARG A 63 6.607 -3.617 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 63 3.941 -4.856 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.874 -6.444 -1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.861 -6.479 -2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.387 -4.790 -1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.549 -5.427 -0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.130 -7.779 -1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.348 -6.868 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 63 9.119 -6.076 0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.586 -9.188 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.337 -9.947 1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.041 -7.061 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.707 -8.761 2.350 1.00 0.00 H new ATOM 597 N ILE A 64 3.397 -3.455 -1.028 1.00 0.00 N ATOM 598 CA ILE A 64 2.996 -2.554 0.051 1.00 0.00 C ATOM 599 C ILE A 64 2.784 -3.328 1.351 1.00 0.00 C ATOM 600 O ILE A 64 1.880 -4.158 1.449 1.00 0.00 O ATOM 601 CB ILE A 64 1.700 -1.788 -0.304 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.681 -1.401 -1.791 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.555 -0.555 0.574 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.605 -0.250 -2.144 1.00 0.00 C ATOM 0 H ILE A 64 2.622 -3.947 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 64 3.803 -1.833 0.185 1.00 0.00 H new ATOM 0 HB ILE A 64 0.852 -2.447 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.959 -2.271 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.662 -1.135 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.638 -0.027 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.513 -0.857 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.410 0.104 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.533 -0.039 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.315 0.636 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.632 -0.519 -1.896 1.00 0.00 H new ATOM 616 N VAL A 65 3.621 -3.054 2.349 1.00 0.00 N ATOM 617 CA VAL A 65 3.531 -3.736 3.639 1.00 0.00 C ATOM 618 C VAL A 65 2.619 -2.981 4.605 1.00 0.00 C ATOM 619 O VAL A 65 2.937 -1.876 5.033 1.00 0.00 O ATOM 620 CB VAL A 65 4.922 -3.899 4.292 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.871 -4.917 5.423 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.963 -4.299 3.258 1.00 0.00 C ATOM 0 H VAL A 65 4.370 -2.364 2.290 1.00 0.00 H new ATOM 0 HA VAL A 65 3.110 -4.722 3.440 1.00 0.00 H new ATOM 0 HB VAL A 65 5.213 -2.936 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.861 -5.016 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.163 -4.583 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.552 -5.882 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.934 -4.408 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.677 -5.247 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.025 -3.530 2.488 1.00 0.00 H new ATOM 632 N PHE A 66 1.490 -3.588 4.948 1.00 0.00 N ATOM 633 CA PHE A 66 0.535 -2.966 5.861 1.00 0.00 C ATOM 634 C PHE A 66 0.667 -3.526 7.276 1.00 0.00 C ATOM 635 O PHE A 66 0.414 -4.709 7.519 1.00 0.00 O ATOM 636 CB PHE A 66 -0.894 -3.165 5.346 1.00 0.00 C ATOM 637 CG PHE A 66 -1.202 -2.352 4.122 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.371 -0.981 4.212 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.315 -2.958 2.881 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.648 -0.228 3.087 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.590 -2.211 1.753 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.757 -0.843 1.857 1.00 0.00 C ATOM 0 H PHE A 66 1.212 -4.509 4.609 1.00 0.00 H new ATOM 0 HA PHE A 66 0.757 -1.900 5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.048 -4.220 5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.598 -2.901 6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.285 -0.494 5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.186 -4.027 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.779 0.841 3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.674 -2.695 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.973 -0.256 0.976 1.00 0.00 H new ATOM 652 N ASP A 67 1.074 -2.667 8.206 1.00 0.00 N ATOM 653 CA ASP A 67 1.232 -3.056 9.606 1.00 0.00 C ATOM 654 C ASP A 67 0.013 -2.613 10.414 1.00 0.00 C ATOM 655 O ASP A 67 -0.122 -1.437 10.750 1.00 0.00 O ATOM 656 CB ASP A 67 2.510 -2.431 10.183 1.00 0.00 C ATOM 657 CG ASP A 67 2.995 -3.132 11.440 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.275 -3.093 12.459 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.096 -3.723 11.404 1.00 0.00 O ATOM 0 H ASP A 67 1.302 -1.691 8.015 1.00 0.00 H new ATOM 0 HA ASP A 67 1.315 -4.141 9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.296 -2.463 9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.325 -1.380 10.407 1.00 0.00 H new ATOM 664 N ARG A 68 -0.870 -3.557 10.727 1.00 0.00 N ATOM 665 CA ARG A 68 -2.084 -3.245 11.482 1.00 0.00 C ATOM 666 C ARG A 68 -1.805 -3.092 12.977 1.00 0.00 C ATOM 667 O ARG A 68 -1.724 -4.076 13.715 1.00 0.00 O ATOM 668 CB ARG A 68 -3.147 -4.320 11.251 1.00 0.00 C ATOM 669 CG ARG A 68 -4.457 -3.768 10.709 1.00 0.00 C ATOM 670 CD ARG A 68 -5.630 -4.107 11.616 1.00 0.00 C ATOM 671 NE ARG A 68 -6.392 -5.244 11.111 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.654 -5.487 11.422 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.306 -4.697 12.239 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.260 -6.524 10.904 1.00 0.00 N ATOM 0 H ARG A 68 -0.771 -4.540 10.472 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.456 -2.288 11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.758 -5.062 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.340 -4.837 12.191 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.380 -2.686 10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.638 -4.173 9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.263 -4.331 12.617 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.285 -3.240 11.703 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.922 -5.892 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.840 -3.884 12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.279 -4.895 12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.759 -7.140 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.233 -6.716 11.140 1.00 0.00 H new ATOM 688 N LYS A 69 -1.670 -1.843 13.408 1.00 0.00 N ATOM 689 CA LYS A 69 -1.408 -1.523 14.808 1.00 0.00 C ATOM 690 C LYS A 69 -2.719 -1.234 15.548 1.00 0.00 C ATOM 691 O LYS A 69 -2.876 -1.575 16.721 1.00 0.00 O ATOM 692 CB LYS A 69 -0.460 -0.317 14.892 1.00 0.00 C ATOM 693 CG LYS A 69 -0.350 0.306 16.277 1.00 0.00 C ATOM 694 CD LYS A 69 0.399 -0.600 17.240 1.00 0.00 C ATOM 695 CE LYS A 69 0.759 0.126 18.526 1.00 0.00 C ATOM 696 NZ LYS A 69 0.143 -0.516 19.718 1.00 0.00 N ATOM 0 H LYS A 69 -1.739 -1.026 12.801 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.934 -2.380 15.287 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.533 -0.629 14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.800 0.445 14.191 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.163 1.265 16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.348 0.506 16.667 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.214 -1.471 17.472 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.307 -0.968 16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.843 0.142 18.642 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.430 1.163 18.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.413 0.009 20.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.892 -0.509 19.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.477 -1.498 19.795 1.00 0.00 H new ATOM 710 N ASP A 70 -3.661 -0.608 14.850 1.00 0.00 N ATOM 711 CA ASP A 70 -4.959 -0.282 15.435 1.00 0.00 C ATOM 712 C ASP A 70 -6.054 -1.207 14.889 1.00 0.00 C ATOM 713 O ASP A 70 -6.184 -1.378 13.677 1.00 0.00 O ATOM 714 CB ASP A 70 -5.306 1.183 15.154 1.00 0.00 C ATOM 715 CG ASP A 70 -6.233 1.775 16.200 1.00 0.00 C ATOM 716 OD1 ASP A 70 -7.465 1.686 16.017 1.00 0.00 O ATOM 717 OD2 ASP A 70 -5.725 2.327 17.199 1.00 0.00 O ATOM 0 H ASP A 70 -3.551 -0.316 13.879 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.900 -0.431 16.513 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.388 1.769 15.115 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.775 1.260 14.173 1.00 0.00 H new ATOM 722 N PRO A 71 -6.871 -1.799 15.785 1.00 0.00 N ATOM 723 CA PRO A 71 -7.952 -2.717 15.400 1.00 0.00 C ATOM 724 C PRO A 71 -9.224 -1.997 14.942 1.00 0.00 C ATOM 725 O PRO A 71 -10.337 -2.419 15.257 1.00 0.00 O ATOM 726 CB PRO A 71 -8.211 -3.478 16.697 1.00 0.00 C ATOM 727 CG PRO A 71 -7.932 -2.477 17.764 1.00 0.00 C ATOM 728 CD PRO A 71 -6.806 -1.618 17.247 1.00 0.00 C ATOM 0 HA PRO A 71 -7.675 -3.340 14.550 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.238 -3.841 16.749 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.561 -4.348 16.786 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.816 -1.875 17.975 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.651 -2.968 18.696 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.938 -0.573 17.527 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.843 -1.936 17.647 1.00 0.00 H new ATOM 736 N SER A 72 -9.055 -0.909 14.198 1.00 0.00 N ATOM 737 CA SER A 72 -10.189 -0.134 13.696 1.00 0.00 C ATOM 738 C SER A 72 -10.945 -0.901 12.608 1.00 0.00 C ATOM 739 O SER A 72 -10.333 -1.515 11.732 1.00 0.00 O ATOM 740 CB SER A 72 -9.711 1.211 13.143 1.00 0.00 C ATOM 741 OG SER A 72 -10.684 2.219 13.345 1.00 0.00 O ATOM 0 H SER A 72 -8.143 -0.542 13.928 1.00 0.00 H new ATOM 0 HA SER A 72 -10.869 0.040 14.530 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.779 1.498 13.630 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.498 1.115 12.078 1.00 0.00 H new ATOM 0 HG SER A 72 -11.067 2.482 12.482 1.00 0.00 H new ATOM 747 N PRO A 73 -12.294 -0.858 12.636 1.00 0.00 N ATOM 748 CA PRO A 73 -13.139 -1.564 11.655 1.00 0.00 C ATOM 749 C PRO A 73 -12.941 -1.070 10.221 1.00 0.00 C ATOM 750 O PRO A 73 -13.042 -1.845 9.270 1.00 0.00 O ATOM 751 CB PRO A 73 -14.567 -1.264 12.129 1.00 0.00 C ATOM 752 CG PRO A 73 -14.443 -0.026 12.946 1.00 0.00 C ATOM 753 CD PRO A 73 -13.105 -0.118 13.620 1.00 0.00 C ATOM 0 HA PRO A 73 -12.896 -2.626 11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.241 -1.116 11.285 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.970 -2.088 12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.506 0.864 12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.247 0.042 13.679 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.688 0.867 13.828 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.167 -0.646 14.572 1.00 0.00 H new ATOM 761 N CYS A 74 -12.648 0.221 10.067 1.00 0.00 N ATOM 762 CA CYS A 74 -12.437 0.809 8.742 1.00 0.00 C ATOM 763 C CYS A 74 -11.066 0.433 8.173 1.00 0.00 C ATOM 764 O CYS A 74 -10.769 0.710 7.013 1.00 0.00 O ATOM 765 CB CYS A 74 -12.568 2.332 8.805 1.00 0.00 C ATOM 766 SG CYS A 74 -11.887 3.071 10.308 1.00 0.00 S ATOM 0 H CYS A 74 -12.551 0.879 10.840 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.204 0.407 8.080 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.065 2.765 7.940 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.622 2.599 8.727 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.043 4.361 10.267 1.00 0.00 H new ATOM 772 N LEU A 75 -10.235 -0.200 8.998 1.00 0.00 N ATOM 773 CA LEU A 75 -8.898 -0.611 8.578 1.00 0.00 C ATOM 774 C LEU A 75 -8.761 -2.138 8.567 1.00 0.00 C ATOM 775 O LEU A 75 -7.653 -2.668 8.484 1.00 0.00 O ATOM 776 CB LEU A 75 -7.848 -0.003 9.509 1.00 0.00 C ATOM 777 CG LEU A 75 -7.627 1.500 9.343 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.894 2.061 10.548 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.852 1.787 8.065 1.00 0.00 C ATOM 0 H LEU A 75 -10.465 -0.440 9.962 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.739 -0.249 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.142 -0.200 10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.900 -0.514 9.345 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.599 1.988 9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.743 3.132 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.485 1.886 11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.927 1.568 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.704 2.862 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.883 1.290 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.413 1.415 7.208 1.00 0.00 H new ATOM 791 N ASP A 76 -9.893 -2.836 8.649 1.00 0.00 N ATOM 792 CA ASP A 76 -9.905 -4.299 8.650 1.00 0.00 C ATOM 793 C ASP A 76 -9.484 -4.869 7.290 1.00 0.00 C ATOM 794 O ASP A 76 -8.811 -5.899 7.216 1.00 0.00 O ATOM 795 CB ASP A 76 -11.303 -4.805 9.022 1.00 0.00 C ATOM 796 CG ASP A 76 -11.327 -6.287 9.350 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.992 -6.648 10.500 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.686 -7.085 8.456 1.00 0.00 O ATOM 0 H ASP A 76 -10.817 -2.410 8.716 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.182 -4.641 9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.671 -4.242 9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.986 -4.610 8.196 1.00 0.00 H new ATOM 803 N GLN A 77 -9.891 -4.200 6.219 1.00 0.00 N ATOM 804 CA GLN A 77 -9.560 -4.642 4.868 1.00 0.00 C ATOM 805 C GLN A 77 -9.033 -3.483 4.025 1.00 0.00 C ATOM 806 O GLN A 77 -9.229 -2.316 4.366 1.00 0.00 O ATOM 807 CB GLN A 77 -10.794 -5.256 4.197 1.00 0.00 C ATOM 808 CG GLN A 77 -11.090 -6.679 4.646 1.00 0.00 C ATOM 809 CD GLN A 77 -12.577 -6.967 4.743 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.300 -6.914 3.752 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.047 -7.274 5.942 1.00 0.00 N ATOM 0 H GLN A 77 -10.451 -3.349 6.258 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.777 -5.396 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.661 -4.630 4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.651 -5.248 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.634 -7.379 3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.627 -6.853 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.417 -7.309 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.039 -7.476 6.064 1.00 0.00 H new ATOM 820 N ILE A 78 -8.354 -3.809 2.930 1.00 0.00 N ATOM 821 CA ILE A 78 -7.808 -2.791 2.036 1.00 0.00 C ATOM 822 C ILE A 78 -8.045 -3.161 0.571 1.00 0.00 C ATOM 823 O ILE A 78 -7.786 -4.290 0.151 1.00 0.00 O ATOM 824 CB ILE A 78 -6.294 -2.563 2.278 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.739 -1.545 1.277 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.520 -3.872 2.191 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.169 -0.307 1.927 1.00 0.00 C ATOM 0 H ILE A 78 -8.168 -4.769 2.639 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.333 -1.862 2.259 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.170 -2.166 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.962 -2.022 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.534 -1.252 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.461 -3.681 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.892 -4.566 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.652 -4.308 1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.795 0.368 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.948 0.194 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.352 -0.588 2.591 1.00 0.00 H new ATOM 839 N VAL A 79 -8.558 -2.211 -0.203 1.00 0.00 N ATOM 840 CA VAL A 79 -8.816 -2.447 -1.617 1.00 0.00 C ATOM 841 C VAL A 79 -8.291 -1.299 -2.476 1.00 0.00 C ATOM 842 O VAL A 79 -8.492 -0.125 -2.168 1.00 0.00 O ATOM 843 CB VAL A 79 -10.325 -2.699 -1.909 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.210 -2.038 -0.868 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.717 -2.240 -3.311 1.00 0.00 C ATOM 0 H VAL A 79 -8.802 -1.276 0.123 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.275 -3.355 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.480 -3.777 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.256 -2.234 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.977 -2.442 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.033 -0.962 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.777 -2.434 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.524 -1.172 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.131 -2.786 -4.050 1.00 0.00 H new ATOM 855 N PHE A 80 -7.589 -1.666 -3.538 1.00 0.00 N ATOM 856 CA PHE A 80 -7.034 -0.706 -4.480 1.00 0.00 C ATOM 857 C PHE A 80 -8.002 -0.522 -5.653 1.00 0.00 C ATOM 858 O PHE A 80 -8.056 -1.359 -6.553 1.00 0.00 O ATOM 859 CB PHE A 80 -5.678 -1.207 -4.989 1.00 0.00 C ATOM 860 CG PHE A 80 -4.518 -0.845 -4.102 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.322 -1.495 -2.894 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.622 0.142 -4.481 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.254 -1.169 -2.080 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.552 0.473 -3.671 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.368 -0.183 -2.470 1.00 0.00 C ATOM 0 H PHE A 80 -7.388 -2.639 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.892 0.253 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.719 -2.291 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.502 -0.799 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.012 -2.266 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.761 0.658 -5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.112 -1.684 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.861 1.244 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.532 0.074 -1.836 1.00 0.00 H new ATOM 875 N PRO A 81 -8.771 0.585 -5.668 1.00 0.00 N ATOM 876 CA PRO A 81 -9.762 0.851 -6.726 1.00 0.00 C ATOM 877 C PRO A 81 -9.141 1.089 -8.103 1.00 0.00 C ATOM 878 O PRO A 81 -9.828 1.019 -9.120 1.00 0.00 O ATOM 879 CB PRO A 81 -10.480 2.112 -6.238 1.00 0.00 C ATOM 880 CG PRO A 81 -9.517 2.773 -5.314 1.00 0.00 C ATOM 881 CD PRO A 81 -8.729 1.668 -4.670 1.00 0.00 C ATOM 0 HA PRO A 81 -10.417 -0.008 -6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.739 2.766 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.410 1.863 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.861 3.454 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.041 3.366 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.706 1.977 -4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.172 1.358 -3.724 1.00 0.00 H new ATOM 889 N ASP A 82 -7.841 1.367 -8.136 1.00 0.00 N ATOM 890 CA ASP A 82 -7.151 1.612 -9.398 1.00 0.00 C ATOM 891 C ASP A 82 -6.371 0.377 -9.872 1.00 0.00 C ATOM 892 O ASP A 82 -5.837 0.363 -10.980 1.00 0.00 O ATOM 893 CB ASP A 82 -6.210 2.809 -9.253 1.00 0.00 C ATOM 894 CG ASP A 82 -6.958 4.109 -9.029 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.704 4.529 -9.937 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.797 4.709 -7.941 1.00 0.00 O ATOM 0 H ASP A 82 -7.247 1.428 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.905 1.832 -10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.531 2.635 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.596 2.896 -10.150 1.00 0.00 H new ATOM 901 N PHE A 83 -6.307 -0.658 -9.032 1.00 0.00 N ATOM 902 CA PHE A 83 -5.589 -1.885 -9.385 1.00 0.00 C ATOM 903 C PHE A 83 -6.509 -3.110 -9.372 1.00 0.00 C ATOM 904 O PHE A 83 -6.203 -4.129 -9.990 1.00 0.00 O ATOM 905 CB PHE A 83 -4.416 -2.105 -8.422 1.00 0.00 C ATOM 906 CG PHE A 83 -3.229 -1.232 -8.715 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.145 0.045 -8.182 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.202 -1.683 -9.528 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.061 0.852 -8.454 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.113 -0.879 -9.803 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.044 0.392 -9.265 1.00 0.00 C ATOM 0 H PHE A 83 -6.740 -0.672 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.212 -1.763 -10.400 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.753 -1.917 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.109 -3.150 -8.468 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.938 0.412 -7.547 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.253 -2.675 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.008 1.845 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.318 -1.243 -10.437 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.195 1.024 -9.479 1.00 0.00 H new ATOM 921 N GLY A 84 -7.635 -3.005 -8.666 1.00 0.00 N ATOM 922 CA GLY A 84 -8.568 -4.119 -8.576 1.00 0.00 C ATOM 923 C GLY A 84 -8.090 -5.182 -7.604 1.00 0.00 C ATOM 924 O GLY A 84 -8.355 -6.371 -7.780 1.00 0.00 O ATOM 0 H GLY A 84 -7.918 -2.169 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.544 -3.750 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.700 -4.563 -9.563 1.00 0.00 H new ATOM 928 N VAL A 85 -7.389 -4.740 -6.565 1.00 0.00 N ATOM 929 CA VAL A 85 -6.835 -5.644 -5.560 1.00 0.00 C ATOM 930 C VAL A 85 -7.443 -5.396 -4.175 1.00 0.00 C ATOM 931 O VAL A 85 -7.301 -4.313 -3.613 1.00 0.00 O ATOM 932 CB VAL A 85 -5.299 -5.478 -5.484 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.722 -6.186 -4.268 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.644 -5.981 -6.761 1.00 0.00 C ATOM 0 H VAL A 85 -7.189 -3.754 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.084 -6.661 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.084 -4.415 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.641 -6.049 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.159 -5.767 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.952 -7.250 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.564 -5.856 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.879 -7.036 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.019 -5.411 -7.611 1.00 0.00 H new ATOM 944 N HIS A 86 -8.122 -6.404 -3.632 1.00 0.00 N ATOM 945 CA HIS A 86 -8.731 -6.295 -2.305 1.00 0.00 C ATOM 946 C HIS A 86 -8.222 -7.412 -1.391 1.00 0.00 C ATOM 947 O HIS A 86 -8.376 -8.594 -1.695 1.00 0.00 O ATOM 948 CB HIS A 86 -10.266 -6.330 -2.404 1.00 0.00 C ATOM 949 CG HIS A 86 -10.969 -6.436 -1.079 1.00 0.00 C ATOM 950 ND1 HIS A 86 -11.732 -7.529 -0.717 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.021 -5.583 -0.028 1.00 0.00 C ATOM 952 CE1 HIS A 86 -12.222 -7.340 0.495 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.804 -6.168 0.934 1.00 0.00 N ATOM 0 H HIS A 86 -8.265 -7.305 -4.088 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.442 -5.337 -1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.606 -5.427 -2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.559 -7.175 -3.026 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -11.892 -8.354 -1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -10.536 -4.621 0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.857 -8.027 1.035 1.00 0.00 H new ATOM 961 N ALA A 87 -7.625 -7.024 -0.270 1.00 0.00 N ATOM 962 CA ALA A 87 -7.085 -7.987 0.686 1.00 0.00 C ATOM 963 C ALA A 87 -7.501 -7.655 2.119 1.00 0.00 C ATOM 964 O ALA A 87 -7.943 -6.543 2.411 1.00 0.00 O ATOM 965 CB ALA A 87 -5.567 -8.031 0.577 1.00 0.00 C ATOM 0 H ALA A 87 -7.502 -6.048 0.001 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.495 -8.967 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.172 -8.751 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.283 -8.329 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.158 -7.044 0.792 1.00 0.00 H new ATOM 971 N ASN A 88 -7.355 -8.631 3.011 1.00 0.00 N ATOM 972 CA ASN A 88 -7.709 -8.450 4.418 1.00 0.00 C ATOM 973 C ASN A 88 -6.449 -8.293 5.271 1.00 0.00 C ATOM 974 O ASN A 88 -5.461 -8.996 5.063 1.00 0.00 O ATOM 975 CB ASN A 88 -8.536 -9.636 4.927 1.00 0.00 C ATOM 976 CG ASN A 88 -9.343 -10.308 3.829 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.256 -9.717 3.260 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.011 -11.552 3.526 1.00 0.00 N ATOM 0 H ASN A 88 -6.993 -9.558 2.785 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.309 -7.544 4.501 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.869 -10.369 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.212 -9.292 5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.520 -12.053 2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.246 -12.011 4.021 1.00 0.00 H new ATOM 985 N LEU A 89 -6.489 -7.377 6.233 1.00 0.00 N ATOM 986 CA LEU A 89 -5.338 -7.141 7.100 1.00 0.00 C ATOM 987 C LEU A 89 -5.515 -7.812 8.464 1.00 0.00 C ATOM 988 O LEU A 89 -6.544 -7.645 9.122 1.00 0.00 O ATOM 989 CB LEU A 89 -5.101 -5.638 7.285 1.00 0.00 C ATOM 990 CG LEU A 89 -5.007 -4.823 5.992 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.921 -3.337 6.303 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.806 -5.264 5.169 1.00 0.00 C ATOM 0 H LEU A 89 -7.299 -6.790 6.432 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.468 -7.583 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.910 -5.232 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.179 -5.500 7.849 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.910 -5.001 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.855 -2.774 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.811 -3.028 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.036 -3.143 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.755 -4.674 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.894 -5.115 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.907 -6.319 4.915 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.516 -8.599 8.895 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.551 -9.285 10.187 1.00 0.00 C ATOM 1006 C PRO A 90 -4.109 -8.379 11.341 1.00 0.00 C ATOM 1007 O PRO A 90 -3.049 -7.754 11.286 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.566 -10.437 9.989 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.583 -9.944 8.975 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.285 -8.898 8.144 1.00 0.00 C ATOM 0 HA PRO A 90 -5.556 -9.607 10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.070 -10.696 10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.076 -11.335 9.639 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.705 -9.521 9.464 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.234 -10.764 8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.668 -8.008 8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.510 -9.270 7.144 1.00 0.00 H new ATOM 1018 N MET A 91 -4.929 -8.316 12.386 1.00 0.00 N ATOM 1019 CA MET A 91 -4.631 -7.482 13.550 1.00 0.00 C ATOM 1020 C MET A 91 -3.402 -7.988 14.310 1.00 0.00 C ATOM 1021 O MET A 91 -3.338 -9.150 14.714 1.00 0.00 O ATOM 1022 CB MET A 91 -5.844 -7.429 14.483 1.00 0.00 C ATOM 1023 CG MET A 91 -5.606 -6.624 15.750 1.00 0.00 C ATOM 1024 SD MET A 91 -4.985 -4.965 15.420 1.00 0.00 S ATOM 1025 CE MET A 91 -4.057 -4.654 16.920 1.00 0.00 C ATOM 0 H MET A 91 -5.806 -8.832 12.452 1.00 0.00 H new ATOM 0 HA MET A 91 -4.407 -6.478 13.191 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.688 -6.999 13.943 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.125 -8.446 14.757 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.539 -6.553 16.310 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.894 -7.154 16.383 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.278 -3.650 17.283 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.337 -5.385 17.679 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.990 -4.738 16.712 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.428 -7.099 14.499 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.208 -7.457 15.208 1.00 0.00 C ATOM 1037 C GLY A 92 -0.187 -8.149 14.320 1.00 0.00 C ATOM 1038 O GLY A 92 0.799 -8.699 14.810 1.00 0.00 O ATOM 0 H GLY A 92 -2.462 -6.133 14.172 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.763 -6.557 15.631 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.458 -8.111 16.043 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.420 -8.118 13.009 1.00 0.00 N ATOM 1043 CA GLU A 93 0.484 -8.755 12.053 1.00 0.00 C ATOM 1044 C GLU A 93 0.707 -7.864 10.828 1.00 0.00 C ATOM 1045 O GLU A 93 0.118 -6.787 10.713 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.074 -10.115 11.621 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.157 -11.134 12.748 1.00 0.00 C ATOM 1048 CD GLU A 93 1.163 -11.837 13.008 1.00 0.00 C ATOM 1049 OE1 GLU A 93 2.121 -11.619 12.233 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.240 -12.613 13.985 1.00 0.00 O ATOM 0 H GLU A 93 -1.226 -7.659 12.585 1.00 0.00 H new ATOM 0 HA GLU A 93 1.445 -8.904 12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.069 -9.971 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.553 -10.518 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.482 -10.634 13.660 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.916 -11.877 12.504 1.00 0.00 H new ATOM 1057 N GLU A 94 1.564 -8.317 9.918 1.00 0.00 N ATOM 1058 CA GLU A 94 1.866 -7.556 8.708 1.00 0.00 C ATOM 1059 C GLU A 94 1.361 -8.266 7.452 1.00 0.00 C ATOM 1060 O GLU A 94 1.548 -9.471 7.286 1.00 0.00 O ATOM 1061 CB GLU A 94 3.373 -7.322 8.587 1.00 0.00 C ATOM 1062 CG GLU A 94 3.918 -6.315 9.588 1.00 0.00 C ATOM 1063 CD GLU A 94 5.148 -6.820 10.318 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.988 -7.454 11.382 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.274 -6.584 9.822 1.00 0.00 O ATOM 0 H GLU A 94 2.061 -9.205 9.994 1.00 0.00 H new ATOM 0 HA GLU A 94 1.351 -6.599 8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.891 -8.272 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.598 -6.976 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.164 -5.389 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.142 -6.076 10.315 1.00 0.00 H new ATOM 1072 N TYR A 95 0.726 -7.503 6.573 1.00 0.00 N ATOM 1073 CA TYR A 95 0.207 -8.039 5.316 1.00 0.00 C ATOM 1074 C TYR A 95 0.782 -7.255 4.139 1.00 0.00 C ATOM 1075 O TYR A 95 0.709 -6.029 4.109 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.322 -7.981 5.294 1.00 0.00 C ATOM 1077 CG TYR A 95 -1.953 -9.026 4.402 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.172 -10.319 4.864 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.329 -8.723 3.099 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.748 -11.279 4.052 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.903 -9.677 2.282 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.110 -10.953 2.762 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.684 -11.905 1.951 1.00 0.00 O ATOM 0 H TYR A 95 0.556 -6.506 6.706 1.00 0.00 H new ATOM 0 HA TYR A 95 0.511 -9.082 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.697 -8.107 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.635 -6.992 4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.888 -10.578 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.170 -7.725 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.913 -12.279 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.189 -9.425 1.271 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.880 -11.513 1.075 1.00 0.00 H new ATOM 1093 N VAL A 96 1.354 -7.961 3.172 1.00 0.00 N ATOM 1094 CA VAL A 96 1.954 -7.301 2.018 1.00 0.00 C ATOM 1095 C VAL A 96 1.117 -7.468 0.740 1.00 0.00 C ATOM 1096 O VAL A 96 0.579 -8.543 0.459 1.00 0.00 O ATOM 1097 CB VAL A 96 3.408 -7.796 1.790 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.450 -9.111 1.022 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.230 -6.733 1.081 1.00 0.00 C ATOM 0 H VAL A 96 1.415 -8.979 3.162 1.00 0.00 H new ATOM 0 HA VAL A 96 1.978 -6.235 2.245 1.00 0.00 H new ATOM 0 HB VAL A 96 3.846 -7.981 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.486 -9.420 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.914 -9.877 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.979 -8.979 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.246 -7.099 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.778 -6.508 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.257 -5.828 1.688 1.00 0.00 H new ATOM 1109 N VAL A 97 0.987 -6.376 -0.010 1.00 0.00 N ATOM 1110 CA VAL A 97 0.241 -6.378 -1.268 1.00 0.00 C ATOM 1111 C VAL A 97 1.191 -6.154 -2.443 1.00 0.00 C ATOM 1112 O VAL A 97 1.777 -5.081 -2.585 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.859 -5.290 -1.278 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.491 -5.159 -2.661 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.920 -5.601 -0.236 1.00 0.00 C ATOM 0 H VAL A 97 1.392 -5.472 0.233 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.240 -7.351 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.393 -4.336 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.260 -4.387 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.725 -4.886 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.940 -6.110 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.687 -4.827 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.374 -6.567 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.461 -5.633 0.752 1.00 0.00 H new ATOM 1125 N GLU A 98 1.345 -7.173 -3.280 1.00 0.00 N ATOM 1126 CA GLU A 98 2.236 -7.087 -4.436 1.00 0.00 C ATOM 1127 C GLU A 98 1.480 -6.662 -5.697 1.00 0.00 C ATOM 1128 O GLU A 98 0.549 -7.339 -6.136 1.00 0.00 O ATOM 1129 CB GLU A 98 2.930 -8.431 -4.670 1.00 0.00 C ATOM 1130 CG GLU A 98 4.278 -8.547 -3.976 1.00 0.00 C ATOM 1131 CD GLU A 98 4.659 -9.981 -3.664 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.464 -10.854 -4.538 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.156 -10.232 -2.545 1.00 0.00 O ATOM 0 H GLU A 98 0.866 -8.068 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 98 2.986 -6.326 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.280 -9.232 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.068 -8.578 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.046 -8.102 -4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.255 -7.973 -3.050 1.00 0.00 H new ATOM 1140 N ILE A 99 1.890 -5.536 -6.275 1.00 0.00 N ATOM 1141 CA ILE A 99 1.262 -5.013 -7.489 1.00 0.00 C ATOM 1142 C ILE A 99 2.313 -4.538 -8.492 1.00 0.00 C ATOM 1143 O ILE A 99 3.449 -4.235 -8.125 1.00 0.00 O ATOM 1144 CB ILE A 99 0.293 -3.846 -7.185 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.729 -3.090 -5.924 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.130 -4.366 -7.035 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.046 -1.812 -5.685 1.00 0.00 C ATOM 0 H ILE A 99 2.658 -4.965 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 99 0.692 -5.836 -7.919 1.00 0.00 H new ATOM 0 HB ILE A 99 0.321 -3.149 -8.022 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.611 -3.744 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.790 -2.853 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.801 -3.534 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.439 -4.853 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.171 -5.084 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.316 -1.331 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.092 -1.139 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.105 -2.044 -5.575 1.00 0.00 H new ATOM 1159 N THR A 100 1.928 -4.474 -9.763 1.00 0.00 N ATOM 1160 CA THR A 100 2.844 -4.040 -10.815 1.00 0.00 C ATOM 1161 C THR A 100 2.316 -2.808 -11.551 1.00 0.00 C ATOM 1162 O THR A 100 1.488 -2.922 -12.458 1.00 0.00 O ATOM 1163 CB THR A 100 3.097 -5.163 -11.842 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.245 -6.422 -11.171 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.343 -4.875 -12.667 1.00 0.00 C ATOM 0 H THR A 100 0.992 -4.716 -10.090 1.00 0.00 H new ATOM 0 HA THR A 100 3.781 -3.786 -10.320 1.00 0.00 H new ATOM 0 HB THR A 100 2.238 -5.208 -12.512 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.403 -7.128 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.499 -5.681 -13.383 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.216 -3.934 -13.202 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.208 -4.803 -12.007 1.00 0.00 H new ATOM 1173 N PRO A 101 2.792 -1.607 -11.168 1.00 0.00 N ATOM 1174 CA PRO A 101 2.375 -0.347 -11.799 1.00 0.00 C ATOM 1175 C PRO A 101 2.969 -0.179 -13.202 1.00 0.00 C ATOM 1176 O PRO A 101 4.132 0.186 -13.357 1.00 0.00 O ATOM 1177 CB PRO A 101 2.931 0.714 -10.848 1.00 0.00 C ATOM 1178 CG PRO A 101 4.120 0.069 -10.225 1.00 0.00 C ATOM 1179 CD PRO A 101 3.766 -1.385 -10.082 1.00 0.00 C ATOM 0 HA PRO A 101 1.296 -0.291 -11.941 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.207 1.622 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.195 0.999 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.006 0.197 -10.847 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.344 0.515 -9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.642 -2.025 -10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.334 -1.599 -9.104 1.00 0.00 H new ATOM 1187 N GLU A 102 2.162 -0.445 -14.224 1.00 0.00 N ATOM 1188 CA GLU A 102 2.624 -0.332 -15.609 1.00 0.00 C ATOM 1189 C GLU A 102 2.271 1.027 -16.226 1.00 0.00 C ATOM 1190 O GLU A 102 2.565 1.282 -17.394 1.00 0.00 O ATOM 1191 CB GLU A 102 2.035 -1.463 -16.453 1.00 0.00 C ATOM 1192 CG GLU A 102 2.492 -2.849 -16.017 1.00 0.00 C ATOM 1193 CD GLU A 102 1.347 -3.839 -15.898 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.175 -3.404 -15.941 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.622 -5.050 -15.764 1.00 0.00 O ATOM 0 H GLU A 102 1.190 -0.739 -14.124 1.00 0.00 H new ATOM 0 HA GLU A 102 3.711 -0.413 -15.599 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.947 -1.415 -16.402 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.312 -1.309 -17.496 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.220 -3.228 -16.734 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.001 -2.773 -15.056 1.00 0.00 H new ATOM 1202 N GLN A 103 1.654 1.898 -15.434 1.00 0.00 N ATOM 1203 CA GLN A 103 1.267 3.224 -15.904 1.00 0.00 C ATOM 1204 C GLN A 103 1.746 4.303 -14.934 1.00 0.00 C ATOM 1205 O GLN A 103 1.601 4.167 -13.720 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.251 3.309 -16.063 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.691 4.143 -17.256 1.00 0.00 C ATOM 1208 CD GLN A 103 -0.797 3.329 -18.532 1.00 0.00 C ATOM 1209 OE1 GLN A 103 0.059 3.413 -19.410 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -1.850 2.537 -18.647 1.00 0.00 N ATOM 0 H GLN A 103 1.411 1.709 -14.462 1.00 0.00 H new ATOM 0 HA GLN A 103 1.738 3.391 -16.873 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.654 2.302 -16.166 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.680 3.733 -15.155 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.657 4.599 -17.039 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.018 4.957 -17.407 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.540 2.494 -17.897 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.972 1.969 -19.486 1.00 0.00 H new ATOM 1219 N ALA A 104 2.319 5.371 -15.476 1.00 0.00 N ATOM 1220 CA ALA A 104 2.821 6.469 -14.654 1.00 0.00 C ATOM 1221 C ALA A 104 1.743 7.524 -14.421 1.00 0.00 C ATOM 1222 O ALA A 104 1.169 8.064 -15.367 1.00 0.00 O ATOM 1223 CB ALA A 104 4.048 7.095 -15.298 1.00 0.00 C ATOM 0 H ALA A 104 2.448 5.501 -16.479 1.00 0.00 H new ATOM 0 HA ALA A 104 3.104 6.060 -13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.410 7.912 -14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.830 6.342 -15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.785 7.481 -16.283 1.00 0.00 H new ATOM 1229 N GLY A 105 1.474 7.811 -13.154 1.00 0.00 N ATOM 1230 CA GLY A 105 0.465 8.799 -12.812 1.00 0.00 C ATOM 1231 C GLY A 105 0.080 8.757 -11.343 1.00 0.00 C ATOM 1232 O GLY A 105 0.845 8.274 -10.506 1.00 0.00 O ATOM 0 H GLY A 105 1.936 7.377 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.838 9.793 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.423 8.632 -13.421 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.111 9.259 -11.036 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.602 9.282 -9.660 1.00 0.00 C ATOM 1238 C GLU A 106 -2.610 8.160 -9.406 1.00 0.00 C ATOM 1239 O GLU A 106 -3.604 8.024 -10.117 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.238 10.639 -9.346 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.306 11.593 -8.614 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.713 13.044 -8.770 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.251 13.691 -9.734 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.499 13.538 -7.928 1.00 0.00 O ATOM 0 H GLU A 106 -1.755 9.656 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.749 9.124 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.562 11.104 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.131 10.481 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.289 11.337 -7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.291 11.462 -8.990 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.335 7.364 -8.382 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.197 6.249 -8.001 1.00 0.00 C ATOM 1253 C PHE A 107 -3.751 6.473 -6.593 1.00 0.00 C ATOM 1254 O PHE A 107 -3.322 7.393 -5.895 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.414 4.932 -8.074 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.086 4.508 -9.477 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.943 4.970 -10.107 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.924 3.650 -10.167 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.642 4.584 -11.399 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.630 3.258 -11.458 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.489 3.727 -12.076 1.00 0.00 C ATOM 0 H PHE A 107 -1.510 7.471 -7.792 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.035 6.190 -8.695 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.488 5.037 -7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.995 4.146 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.279 5.640 -9.582 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.820 3.282 -9.689 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.253 4.951 -11.879 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.292 2.585 -11.983 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.258 3.425 -13.087 1.00 0.00 H new ATOM 1271 N SER A 108 -4.691 5.637 -6.162 1.00 0.00 N ATOM 1272 CA SER A 108 -5.290 5.801 -4.838 1.00 0.00 C ATOM 1273 C SER A 108 -5.744 4.472 -4.234 1.00 0.00 C ATOM 1274 O SER A 108 -5.961 3.490 -4.945 1.00 0.00 O ATOM 1275 CB SER A 108 -6.484 6.754 -4.920 1.00 0.00 C ATOM 1276 OG SER A 108 -7.548 6.180 -5.665 1.00 0.00 O ATOM 0 H SER A 108 -5.052 4.849 -6.700 1.00 0.00 H new ATOM 0 HA SER A 108 -4.519 6.215 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.829 6.996 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.174 7.690 -5.385 1.00 0.00 H new ATOM 0 HG SER A 108 -7.184 5.693 -6.433 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.872 4.461 -2.908 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.322 3.275 -2.176 1.00 0.00 C ATOM 1284 C PHE A 109 -7.062 3.671 -0.891 1.00 0.00 C ATOM 1285 O PHE A 109 -6.586 4.506 -0.120 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.146 2.337 -1.853 1.00 0.00 C ATOM 1287 CG PHE A 109 -4.004 2.980 -1.107 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -3.021 3.682 -1.786 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.909 2.868 0.272 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.967 4.262 -1.104 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.856 3.444 0.958 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.885 4.142 0.268 1.00 0.00 C ATOM 0 H PHE A 109 -5.669 5.265 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.016 2.736 -2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.520 1.500 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.764 1.924 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.079 3.777 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.667 2.324 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.209 4.808 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.793 3.348 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.062 4.594 0.802 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.234 3.074 -0.679 1.00 0.00 N ATOM 1303 CA ALA A 110 -9.047 3.361 0.506 1.00 0.00 C ATOM 1304 C ALA A 110 -10.092 2.266 0.735 1.00 0.00 C ATOM 1305 O ALA A 110 -10.360 1.459 -0.154 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.727 4.719 0.367 1.00 0.00 C ATOM 0 H ALA A 110 -8.644 2.387 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.385 3.385 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.327 4.918 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.970 5.496 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.371 4.715 -0.513 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.681 2.244 1.929 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.697 1.243 2.260 1.00 0.00 C ATOM 1314 C CYS A 111 -12.740 1.805 3.225 1.00 0.00 C ATOM 1315 O CYS A 111 -12.488 2.777 3.934 1.00 0.00 O ATOM 1316 CB CYS A 111 -11.042 0.003 2.873 1.00 0.00 C ATOM 1317 SG CYS A 111 -12.010 -1.512 2.682 1.00 0.00 S ATOM 0 H CYS A 111 -10.475 2.903 2.680 1.00 0.00 H new ATOM 0 HA CYS A 111 -12.202 0.966 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -10.064 -0.143 2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.872 0.182 3.935 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.619 -2.390 3.558 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.917 1.189 3.238 1.00 0.00 N ATOM 1324 CA GLY A 112 -14.982 1.633 4.122 1.00 0.00 C ATOM 1325 C GLY A 112 -15.867 2.702 3.503 1.00 0.00 C ATOM 1326 O GLY A 112 -16.859 2.393 2.843 1.00 0.00 O ATOM 0 H GLY A 112 -14.154 0.389 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.597 0.776 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -14.544 2.021 5.042 1.00 0.00 H new ATOM 1330 N MET A 113 -15.503 3.962 3.714 1.00 0.00 N ATOM 1331 CA MET A 113 -16.271 5.087 3.181 1.00 0.00 C ATOM 1332 C MET A 113 -15.350 6.244 2.782 1.00 0.00 C ATOM 1333 O MET A 113 -14.126 6.100 2.771 1.00 0.00 O ATOM 1334 CB MET A 113 -17.294 5.565 4.218 1.00 0.00 C ATOM 1335 CG MET A 113 -18.738 5.403 3.769 1.00 0.00 C ATOM 1336 SD MET A 113 -19.295 6.760 2.718 1.00 0.00 S ATOM 1337 CE MET A 113 -20.161 7.777 3.908 1.00 0.00 C ATOM 0 H MET A 113 -14.679 4.233 4.251 1.00 0.00 H new ATOM 0 HA MET A 113 -16.796 4.746 2.289 1.00 0.00 H new ATOM 0 HB2 MET A 113 -17.146 5.010 5.144 1.00 0.00 H new ATOM 0 HB3 MET A 113 -17.108 6.615 4.442 1.00 0.00 H new ATOM 0 HG2 MET A 113 -18.843 4.463 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 113 -19.382 5.340 4.646 1.00 0.00 H new ATOM 0 HE1 MET A 113 -20.564 8.658 3.409 1.00 0.00 H new ATOM 0 HE2 MET A 113 -20.977 7.205 4.350 1.00 0.00 H new ATOM 0 HE3 MET A 113 -19.470 8.088 4.692 1.00 0.00 H new ATOM 1347 N ASN A 114 -15.945 7.397 2.477 1.00 0.00 N ATOM 1348 CA ASN A 114 -15.182 8.581 2.076 1.00 0.00 C ATOM 1349 C ASN A 114 -14.560 9.292 3.287 1.00 0.00 C ATOM 1350 O ASN A 114 -14.730 10.500 3.469 1.00 0.00 O ATOM 1351 CB ASN A 114 -16.086 9.548 1.305 1.00 0.00 C ATOM 1352 CG ASN A 114 -15.337 10.313 0.230 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -15.373 9.956 -0.942 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -14.650 11.372 0.627 1.00 0.00 N ATOM 0 H ASN A 114 -16.955 7.537 2.500 1.00 0.00 H new ATOM 0 HA ASN A 114 -14.367 8.251 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.902 8.990 0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.535 10.255 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.125 11.923 -0.052 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -14.645 11.637 1.612 1.00 0.00 H new ATOM 1361 N MET A 115 -13.837 8.534 4.104 1.00 0.00 N ATOM 1362 CA MET A 115 -13.184 9.081 5.292 1.00 0.00 C ATOM 1363 C MET A 115 -11.691 8.742 5.305 1.00 0.00 C ATOM 1364 O MET A 115 -10.907 9.365 6.022 1.00 0.00 O ATOM 1365 CB MET A 115 -13.851 8.537 6.559 1.00 0.00 C ATOM 1366 CG MET A 115 -14.743 9.550 7.259 1.00 0.00 C ATOM 1367 SD MET A 115 -13.809 10.756 8.217 1.00 0.00 S ATOM 1368 CE MET A 115 -15.046 12.027 8.462 1.00 0.00 C ATOM 0 H MET A 115 -13.687 7.535 3.966 1.00 0.00 H new ATOM 0 HA MET A 115 -13.290 10.166 5.266 1.00 0.00 H new ATOM 0 HB2 MET A 115 -14.445 7.660 6.300 1.00 0.00 H new ATOM 0 HB3 MET A 115 -13.078 8.205 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 115 -15.346 10.071 6.516 1.00 0.00 H new ATOM 0 HG3 MET A 115 -15.434 9.025 7.919 1.00 0.00 H new ATOM 0 HE1 MET A 115 -14.617 12.845 9.041 1.00 0.00 H new ATOM 0 HE2 MET A 115 -15.378 12.403 7.494 1.00 0.00 H new ATOM 0 HE3 MET A 115 -15.896 11.608 9.000 1.00 0.00 H new ATOM 1378 N MET A 116 -11.305 7.754 4.501 1.00 0.00 N ATOM 1379 CA MET A 116 -9.908 7.330 4.416 1.00 0.00 C ATOM 1380 C MET A 116 -9.128 8.194 3.424 1.00 0.00 C ATOM 1381 O MET A 116 -9.717 8.915 2.614 1.00 0.00 O ATOM 1382 CB MET A 116 -9.828 5.860 4.007 1.00 0.00 C ATOM 1383 CG MET A 116 -10.428 4.912 5.032 1.00 0.00 C ATOM 1384 SD MET A 116 -9.231 3.725 5.665 1.00 0.00 S ATOM 1385 CE MET A 116 -8.109 4.811 6.540 1.00 0.00 C ATOM 0 H MET A 116 -11.940 7.231 3.898 1.00 0.00 H new ATOM 0 HA MET A 116 -9.457 7.453 5.401 1.00 0.00 H new ATOM 0 HB2 MET A 116 -10.343 5.727 3.056 1.00 0.00 H new ATOM 0 HB3 MET A 116 -8.784 5.593 3.844 1.00 0.00 H new ATOM 0 HG2 MET A 116 -10.834 5.490 5.862 1.00 0.00 H new ATOM 0 HG3 MET A 116 -11.262 4.375 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 116 -7.084 4.472 6.391 1.00 0.00 H new ATOM 0 HE2 MET A 116 -8.214 5.827 6.159 1.00 0.00 H new ATOM 0 HE3 MET A 116 -8.345 4.797 7.604 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.800 8.123 3.488 1.00 0.00 N ATOM 1396 CA HIS A 117 -6.954 8.908 2.593 1.00 0.00 C ATOM 1397 C HIS A 117 -5.655 8.178 2.247 1.00 0.00 C ATOM 1398 O HIS A 117 -4.745 8.087 3.069 1.00 0.00 O ATOM 1399 CB HIS A 117 -6.632 10.264 3.226 1.00 0.00 C ATOM 1400 CG HIS A 117 -7.331 11.414 2.565 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -8.643 11.353 2.142 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -6.896 12.659 2.257 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -8.984 12.509 1.602 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -7.943 13.318 1.661 1.00 0.00 N ATOM 0 H HIS A 117 -7.290 7.534 4.146 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.510 9.057 1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.908 10.239 4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.556 10.430 3.182 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.254 10.541 2.232 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -5.910 13.059 2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.950 12.751 1.184 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.585 7.663 1.024 1.00 0.00 N ATOM 1413 CA GLY A 118 -4.398 6.958 0.570 1.00 0.00 C ATOM 1414 C GLY A 118 -4.100 7.235 -0.895 1.00 0.00 C ATOM 1415 O GLY A 118 -4.898 6.896 -1.769 1.00 0.00 O ATOM 0 H GLY A 118 -6.334 7.722 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.544 7.257 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.534 5.886 0.717 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.955 7.850 -1.167 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.575 8.184 -2.539 1.00 0.00 C ATOM 1421 C LYS A 119 -1.237 7.554 -2.930 1.00 0.00 C ATOM 1422 O LYS A 119 -0.354 7.360 -2.093 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.507 9.705 -2.703 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.705 10.179 -4.136 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.282 11.587 -4.184 1.00 0.00 C ATOM 1426 CE LYS A 119 -2.233 12.609 -4.596 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.845 13.800 -5.250 1.00 0.00 N ATOM 0 H LYS A 119 -2.274 8.128 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.336 7.776 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.267 10.163 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.540 10.057 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.751 10.158 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.372 9.493 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.114 11.616 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.682 11.850 -3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.670 12.926 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.522 12.145 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.564 13.829 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.881 13.739 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.518 14.664 -4.773 1.00 0.00 H new ATOM 1441 N MET A 120 -1.100 7.231 -4.211 1.00 0.00 N ATOM 1442 CA MET A 120 0.128 6.633 -4.729 1.00 0.00 C ATOM 1443 C MET A 120 0.579 7.345 -6.006 1.00 0.00 C ATOM 1444 O MET A 120 -0.238 7.696 -6.850 1.00 0.00 O ATOM 1445 CB MET A 120 -0.094 5.143 -5.008 1.00 0.00 C ATOM 1446 CG MET A 120 1.134 4.432 -5.556 1.00 0.00 C ATOM 1447 SD MET A 120 0.746 3.350 -6.943 1.00 0.00 S ATOM 1448 CE MET A 120 0.246 1.865 -6.081 1.00 0.00 C ATOM 0 H MET A 120 -1.826 7.373 -4.913 1.00 0.00 H new ATOM 0 HA MET A 120 0.911 6.744 -3.979 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.405 4.652 -4.086 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.913 5.034 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.868 5.173 -5.872 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.595 3.846 -4.761 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.283 1.017 -6.765 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.921 1.685 -5.244 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.771 1.986 -5.707 1.00 0.00 H new ATOM 1458 N ILE A 121 1.880 7.569 -6.140 1.00 0.00 N ATOM 1459 CA ILE A 121 2.416 8.234 -7.326 1.00 0.00 C ATOM 1460 C ILE A 121 3.452 7.351 -8.024 1.00 0.00 C ATOM 1461 O ILE A 121 4.471 6.983 -7.440 1.00 0.00 O ATOM 1462 CB ILE A 121 3.046 9.606 -6.980 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.976 10.572 -6.464 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.741 10.202 -8.201 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.938 10.691 -4.957 1.00 0.00 C ATOM 0 H ILE A 121 2.581 7.303 -5.449 1.00 0.00 H new ATOM 0 HA ILE A 121 1.578 8.405 -8.002 1.00 0.00 H new ATOM 0 HB ILE A 121 3.788 9.451 -6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.153 11.558 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 121 1.000 10.241 -6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.177 11.166 -7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.528 9.527 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.015 10.340 -9.002 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.156 11.392 -4.667 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.730 9.714 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.901 11.052 -4.596 1.00 0.00 H new ATOM 1477 N VAL A 122 3.176 7.008 -9.280 1.00 0.00 N ATOM 1478 CA VAL A 122 4.076 6.164 -10.058 1.00 0.00 C ATOM 1479 C VAL A 122 4.885 6.990 -11.058 1.00 0.00 C ATOM 1480 O VAL A 122 4.327 7.692 -11.901 1.00 0.00 O ATOM 1481 CB VAL A 122 3.298 5.062 -10.808 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.231 4.229 -11.675 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.553 4.173 -9.822 1.00 0.00 C ATOM 0 H VAL A 122 2.337 7.302 -9.779 1.00 0.00 H new ATOM 0 HA VAL A 122 4.763 5.694 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 122 2.571 5.545 -11.461 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.657 3.460 -12.192 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.718 4.872 -12.408 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.987 3.757 -11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.009 3.401 -10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.266 3.704 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.849 4.776 -9.248 1.00 0.00 H new ATOM 1493 N GLU A 123 6.208 6.897 -10.964 1.00 0.00 N ATOM 1494 CA GLU A 123 7.098 7.640 -11.858 1.00 0.00 C ATOM 1495 C GLU A 123 7.425 6.834 -13.118 1.00 0.00 C ATOM 1496 O GLU A 123 8.213 5.867 -13.013 1.00 0.00 O ATOM 1497 CB GLU A 123 8.389 8.014 -11.125 1.00 0.00 C ATOM 1498 CG GLU A 123 8.219 9.154 -10.131 1.00 0.00 C ATOM 1499 CD GLU A 123 9.518 9.885 -9.852 1.00 0.00 C ATOM 1500 OE1 GLU A 123 9.817 10.859 -10.575 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.238 9.483 -8.915 1.00 0.00 O ATOM 0 H GLU A 123 6.690 6.315 -10.279 1.00 0.00 H new ATOM 0 HA GLU A 123 6.581 8.549 -12.165 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.764 7.137 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.145 8.293 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.485 9.861 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.821 8.759 -9.196 1.00 0.00 H new TER 1508 GLU A 123