USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 47 HIS : no HE2:sc= -20.1! C(o=-28!,f=-30!) USER MOD Set 1.2: A 51 MET CE :methyl -118:sc= -8.03! (180deg=-12.5!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 90:sc= -2.61! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.175 F(o=-0.77,f=-0.18) USER MOD Single : A 31 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.016) USER MOD Single : A 34 SER OG : rot -78:sc= -1.77! USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.121 (180deg=-0.779) USER MOD Single : A 38 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-3.7!) USER MOD Single : A 40 SER OG : rot 180:sc= -1.29 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.4!) USER MOD Single : A 52 MET CE :methyl 144:sc= -5.04! (180deg=-9.94!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.000644 X(o=-0.00064,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.9) USER MOD Single : A 66 CYS SG : rot 77:sc= 0.673 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -94:sc= 0.936 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.413 -2.828 -6.502 1.00 0.00 N ATOM 2 CA LEU A 15 9.222 -4.178 -7.006 1.00 0.00 C ATOM 3 C LEU A 15 8.201 -4.906 -6.129 1.00 0.00 C ATOM 4 O LEU A 15 7.063 -5.122 -6.544 1.00 0.00 O ATOM 5 CB LEU A 15 10.564 -4.903 -7.120 1.00 0.00 C ATOM 6 CG LEU A 15 11.313 -4.727 -8.442 1.00 0.00 C ATOM 7 CD1 LEU A 15 10.568 -5.412 -9.590 1.00 0.00 C ATOM 8 CD2 LEU A 15 11.574 -3.247 -8.731 1.00 0.00 C ATOM 0 HA LEU A 15 8.814 -4.153 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.209 -4.560 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.393 -5.968 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 15 12.284 -5.214 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.122 -5.272 -10.518 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.476 -6.478 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.574 -4.975 -9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.108 -3.149 -9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.624 -2.716 -8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.176 -2.820 -7.929 1.00 0.00 H new ATOM 19 N ARG A 16 8.644 -5.263 -4.933 1.00 0.00 N ATOM 20 CA ARG A 16 7.784 -5.962 -3.993 1.00 0.00 C ATOM 21 C ARG A 16 6.737 -5.006 -3.420 1.00 0.00 C ATOM 22 O ARG A 16 5.570 -5.367 -3.282 1.00 0.00 O ATOM 23 CB ARG A 16 8.596 -6.566 -2.847 1.00 0.00 C ATOM 24 CG ARG A 16 8.897 -8.043 -3.106 1.00 0.00 C ATOM 25 CD ARG A 16 10.228 -8.212 -3.842 1.00 0.00 C ATOM 26 NE ARG A 16 10.010 -8.904 -5.132 1.00 0.00 N ATOM 27 CZ ARG A 16 9.537 -10.164 -5.243 1.00 0.00 C ATOM 28 NH1 ARG A 16 9.230 -10.881 -4.142 1.00 0.00 N ATOM 29 NH2 ARG A 16 9.380 -10.685 -6.446 1.00 0.00 N ATOM 0 H ARG A 16 9.588 -5.081 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 16 7.288 -6.768 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.530 -6.016 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.045 -6.462 -1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.930 -8.582 -2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.093 -8.483 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.683 -7.237 -4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.923 -8.783 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 16 10.231 -8.398 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.355 -10.472 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.873 -11.832 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.615 -10.137 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.024 -11.635 -6.548 1.00 0.00 H new ATOM 39 N GLU A 17 7.193 -3.803 -3.101 1.00 0.00 N ATOM 40 CA GLU A 17 6.311 -2.792 -2.545 1.00 0.00 C ATOM 41 C GLU A 17 5.560 -2.068 -3.664 1.00 0.00 C ATOM 42 O GLU A 17 4.424 -1.635 -3.476 1.00 0.00 O ATOM 43 CB GLU A 17 7.090 -1.799 -1.680 1.00 0.00 C ATOM 44 CG GLU A 17 8.035 -2.531 -0.724 1.00 0.00 C ATOM 45 CD GLU A 17 9.474 -2.490 -1.238 1.00 0.00 C ATOM 46 OE1 GLU A 17 10.144 -3.534 -1.290 1.00 0.00 O ATOM 47 OE2 GLU A 17 9.895 -1.323 -1.592 1.00 0.00 O ATOM 0 H GLU A 17 8.162 -3.506 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 17 5.582 -3.289 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.662 -1.125 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.394 -1.184 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.985 -2.073 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.714 -3.567 -0.612 1.00 0.00 H new ATOM 53 N ARG A 18 6.223 -1.962 -4.806 1.00 0.00 N ATOM 54 CA ARG A 18 5.632 -1.299 -5.957 1.00 0.00 C ATOM 55 C ARG A 18 4.393 -2.064 -6.432 1.00 0.00 C ATOM 56 O ARG A 18 3.371 -1.459 -6.751 1.00 0.00 O ATOM 57 CB ARG A 18 6.633 -1.199 -7.110 1.00 0.00 C ATOM 58 CG ARG A 18 7.415 0.114 -7.045 1.00 0.00 C ATOM 59 CD ARG A 18 8.144 0.384 -8.361 1.00 0.00 C ATOM 60 NE ARG A 18 8.593 1.792 -8.411 1.00 0.00 N ATOM 61 CZ ARG A 18 7.809 2.825 -8.787 1.00 0.00 C ATOM 62 NH1 ARG A 18 6.526 2.613 -9.148 1.00 0.00 N ATOM 63 NH2 ARG A 18 8.315 4.044 -8.794 1.00 0.00 N ATOM 0 H ARG A 18 7.164 -2.324 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 18 5.347 -0.293 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.325 -2.041 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.105 -1.265 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.734 0.937 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.135 0.072 -6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.001 -0.283 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.483 0.174 -9.202 1.00 0.00 H new ATOM 0 HE ARG A 18 9.556 1.996 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.143 1.668 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.939 3.398 -9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.285 4.195 -8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.736 4.835 -9.075 1.00 0.00 H new ATOM 73 N GLN A 19 4.526 -3.381 -6.462 1.00 0.00 N ATOM 74 CA GLN A 19 3.431 -4.234 -6.892 1.00 0.00 C ATOM 75 C GLN A 19 2.279 -4.167 -5.887 1.00 0.00 C ATOM 76 O GLN A 19 1.121 -4.029 -6.275 1.00 0.00 O ATOM 77 CB GLN A 19 3.904 -5.677 -7.087 1.00 0.00 C ATOM 78 CG GLN A 19 3.801 -6.470 -5.782 1.00 0.00 C ATOM 79 CD GLN A 19 4.268 -7.913 -5.979 1.00 0.00 C ATOM 80 OE1 GLN A 19 4.710 -8.310 -7.046 1.00 0.00 O ATOM 81 NE2 GLN A 19 4.147 -8.673 -4.895 1.00 0.00 N ATOM 0 H GLN A 19 5.375 -3.879 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 19 3.070 -3.871 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.303 -6.159 -7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.936 -5.681 -7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.405 -5.990 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.770 -6.463 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.769 -8.277 -4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.432 -9.652 -4.924 1.00 0.00 H new ATOM 88 N VAL A 20 2.639 -4.266 -4.616 1.00 0.00 N ATOM 89 CA VAL A 20 1.650 -4.218 -3.552 1.00 0.00 C ATOM 90 C VAL A 20 1.112 -2.791 -3.427 1.00 0.00 C ATOM 91 O VAL A 20 -0.067 -2.591 -3.142 1.00 0.00 O ATOM 92 CB VAL A 20 2.256 -4.744 -2.249 1.00 0.00 C ATOM 93 CG1 VAL A 20 1.256 -4.636 -1.096 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.747 -6.184 -2.416 1.00 0.00 C ATOM 0 H VAL A 20 3.602 -4.379 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 20 0.805 -4.866 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 20 3.117 -4.122 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.712 -5.017 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.975 -3.592 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.367 -5.222 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.173 -6.534 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.910 -6.824 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.508 -6.221 -3.195 1.00 0.00 H new ATOM 104 N LEU A 21 2.002 -1.834 -3.648 1.00 0.00 N ATOM 105 CA LEU A 21 1.631 -0.434 -3.563 1.00 0.00 C ATOM 106 C LEU A 21 0.570 -0.126 -4.622 1.00 0.00 C ATOM 107 O LEU A 21 -0.549 0.264 -4.288 1.00 0.00 O ATOM 108 CB LEU A 21 2.873 0.457 -3.661 1.00 0.00 C ATOM 109 CG LEU A 21 2.619 1.966 -3.654 1.00 0.00 C ATOM 110 CD1 LEU A 21 1.662 2.355 -2.526 1.00 0.00 C ATOM 111 CD2 LEU A 21 3.935 2.742 -3.584 1.00 0.00 C ATOM 0 H LEU A 21 2.979 -2.002 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 21 1.186 -0.217 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.535 0.216 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.407 0.203 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 21 2.136 2.237 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.498 3.432 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.711 1.841 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.094 2.069 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.727 3.812 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.468 2.473 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.550 2.495 -4.450 1.00 0.00 H new ATOM 122 N LYS A 22 0.958 -0.314 -5.874 1.00 0.00 N ATOM 123 CA LYS A 22 0.053 -0.061 -6.983 1.00 0.00 C ATOM 124 C LYS A 22 -1.322 -0.646 -6.657 1.00 0.00 C ATOM 125 O LYS A 22 -2.348 -0.049 -6.980 1.00 0.00 O ATOM 126 CB LYS A 22 0.650 -0.584 -8.291 1.00 0.00 C ATOM 127 CG LYS A 22 0.133 0.214 -9.489 1.00 0.00 C ATOM 128 CD LYS A 22 0.717 -0.319 -10.798 1.00 0.00 C ATOM 129 CE LYS A 22 0.221 0.497 -11.993 1.00 0.00 C ATOM 130 NZ LYS A 22 0.753 -0.058 -13.256 1.00 0.00 N ATOM 0 H LYS A 22 1.886 -0.638 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.083 1.011 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.737 -0.520 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.397 -1.637 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.955 0.160 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.396 1.265 -9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.806 -0.283 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.437 -1.365 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.869 0.492 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.533 1.536 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.407 0.508 -14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.792 -0.031 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.435 -1.042 -13.364 1.00 0.00 H new ATOM 139 N LEU A 23 -1.299 -1.807 -6.021 1.00 0.00 N ATOM 140 CA LEU A 23 -2.532 -2.481 -5.647 1.00 0.00 C ATOM 141 C LEU A 23 -3.147 -1.776 -4.437 1.00 0.00 C ATOM 142 O LEU A 23 -4.297 -1.342 -4.484 1.00 0.00 O ATOM 143 CB LEU A 23 -2.282 -3.975 -5.426 1.00 0.00 C ATOM 144 CG LEU A 23 -3.515 -4.823 -5.112 1.00 0.00 C ATOM 145 CD1 LEU A 23 -3.390 -6.220 -5.721 1.00 0.00 C ATOM 146 CD2 LEU A 23 -3.776 -4.875 -3.604 1.00 0.00 C ATOM 0 H LEU A 23 -0.446 -2.299 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.259 -2.420 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.806 -4.379 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.571 -4.087 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.382 -4.348 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.280 -6.802 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.290 -6.137 -6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.511 -6.718 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.658 -5.484 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.914 -5.312 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.942 -3.865 -3.228 1.00 0.00 H new ATOM 157 N ILE A 24 -2.352 -1.681 -3.380 1.00 0.00 N ATOM 158 CA ILE A 24 -2.804 -1.036 -2.159 1.00 0.00 C ATOM 159 C ILE A 24 -3.378 0.342 -2.498 1.00 0.00 C ATOM 160 O ILE A 24 -4.230 0.859 -1.777 1.00 0.00 O ATOM 161 CB ILE A 24 -1.678 -0.994 -1.126 1.00 0.00 C ATOM 162 CG1 ILE A 24 -2.213 -1.272 0.280 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.916 0.330 -1.199 1.00 0.00 C ATOM 164 CD1 ILE A 24 -1.068 -1.399 1.288 1.00 0.00 C ATOM 0 H ILE A 24 -1.398 -2.040 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.606 -1.613 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.968 -1.787 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.882 -0.467 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.801 -2.190 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.121 0.334 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.483 0.446 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.601 1.155 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.476 -1.596 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.414 -2.220 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.497 -0.471 1.309 1.00 0.00 H new ATOM 175 N ASP A 25 -2.887 0.898 -3.597 1.00 0.00 N ATOM 176 CA ASP A 25 -3.340 2.205 -4.040 1.00 0.00 C ATOM 177 C ASP A 25 -4.820 2.126 -4.421 1.00 0.00 C ATOM 178 O ASP A 25 -5.653 2.813 -3.832 1.00 0.00 O ATOM 179 CB ASP A 25 -2.560 2.670 -5.272 1.00 0.00 C ATOM 180 CG ASP A 25 -3.356 3.530 -6.254 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.228 3.384 -7.480 1.00 0.00 O ATOM 182 OD2 ASP A 25 -4.145 4.393 -5.709 1.00 0.00 O ATOM 0 H ASP A 25 -2.180 0.467 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.181 2.910 -3.224 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.689 3.236 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.188 1.792 -5.800 1.00 0.00 H new ATOM 187 N GLU A 26 -5.101 1.282 -5.403 1.00 0.00 N ATOM 188 CA GLU A 26 -6.466 1.104 -5.866 1.00 0.00 C ATOM 189 C GLU A 26 -7.394 0.803 -4.688 1.00 0.00 C ATOM 190 O GLU A 26 -8.606 0.982 -4.787 1.00 0.00 O ATOM 191 CB GLU A 26 -6.546 -0.001 -6.923 1.00 0.00 C ATOM 192 CG GLU A 26 -7.314 0.476 -8.157 1.00 0.00 C ATOM 193 CD GLU A 26 -6.887 -0.303 -9.403 1.00 0.00 C ATOM 194 OE1 GLU A 26 -5.988 0.140 -10.132 1.00 0.00 O ATOM 195 OE2 GLU A 26 -7.526 -1.406 -9.603 1.00 0.00 O ATOM 0 H GLU A 26 -4.407 0.715 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.794 2.033 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.540 -0.307 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.037 -0.878 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.385 0.351 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.137 1.541 -8.311 1.00 0.00 H new ATOM 201 N GLY A 27 -6.789 0.350 -3.600 1.00 0.00 N ATOM 202 CA GLY A 27 -7.545 0.024 -2.404 1.00 0.00 C ATOM 203 C GLY A 27 -7.034 -1.272 -1.768 1.00 0.00 C ATOM 204 O GLY A 27 -5.857 -1.606 -1.894 1.00 0.00 O ATOM 0 H GLY A 27 -5.783 0.201 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.467 0.841 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.601 -0.081 -2.654 1.00 0.00 H new ATOM 208 N TYR A 28 -7.943 -1.964 -1.100 1.00 0.00 N ATOM 209 CA TYR A 28 -7.598 -3.215 -0.444 1.00 0.00 C ATOM 210 C TYR A 28 -6.765 -2.963 0.812 1.00 0.00 C ATOM 211 O TYR A 28 -5.570 -3.251 0.837 1.00 0.00 O ATOM 212 CB TYR A 28 -6.756 -4.001 -1.451 1.00 0.00 C ATOM 213 CG TYR A 28 -7.168 -3.786 -2.909 1.00 0.00 C ATOM 214 CD1 TYR A 28 -8.444 -4.113 -3.321 1.00 0.00 C ATOM 215 CD2 TYR A 28 -6.263 -3.264 -3.811 1.00 0.00 C ATOM 216 CE1 TYR A 28 -8.832 -3.911 -4.693 1.00 0.00 C ATOM 217 CE2 TYR A 28 -6.651 -3.061 -5.183 1.00 0.00 C ATOM 218 CZ TYR A 28 -7.916 -3.394 -5.556 1.00 0.00 C ATOM 219 OH TYR A 28 -8.281 -3.204 -6.852 1.00 0.00 O ATOM 0 H TYR A 28 -8.918 -1.683 -0.998 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.498 -3.751 -0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.710 -3.717 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.826 -5.063 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.152 -4.520 -2.614 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.265 -3.008 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.827 -4.164 -5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.953 -2.654 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.657 -2.305 -6.958 1.00 0.00 H new ATOM 228 N THR A 29 -7.428 -2.427 1.827 1.00 0.00 N ATOM 229 CA THR A 29 -6.763 -2.133 3.085 1.00 0.00 C ATOM 230 C THR A 29 -5.720 -3.207 3.401 1.00 0.00 C ATOM 231 O THR A 29 -4.528 -2.914 3.484 1.00 0.00 O ATOM 232 CB THR A 29 -7.837 -1.992 4.165 1.00 0.00 C ATOM 233 OG1 THR A 29 -7.124 -2.165 5.388 1.00 0.00 O ATOM 234 CG2 THR A 29 -8.837 -3.150 4.151 1.00 0.00 C ATOM 0 H THR A 29 -8.419 -2.189 1.803 1.00 0.00 H new ATOM 0 HA THR A 29 -6.211 -1.195 3.031 1.00 0.00 H new ATOM 0 HB THR A 29 -8.369 -1.051 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.745 -2.087 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.578 -3.001 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.337 -3.187 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.310 -4.088 4.323 1.00 0.00 H new ATOM 242 N ASN A 30 -6.206 -4.427 3.568 1.00 0.00 N ATOM 243 CA ASN A 30 -5.331 -5.547 3.872 1.00 0.00 C ATOM 244 C ASN A 30 -6.000 -6.848 3.427 1.00 0.00 C ATOM 245 O ASN A 30 -5.410 -7.632 2.686 1.00 0.00 O ATOM 246 CB ASN A 30 -5.063 -5.643 5.376 1.00 0.00 C ATOM 247 CG ASN A 30 -3.767 -4.922 5.749 1.00 0.00 C ATOM 248 OD1 ASN A 30 -2.663 -5.554 5.361 1.00 0.00 O flip ATOM 249 ND2 ASN A 30 -3.769 -3.860 6.352 1.00 0.00 N flip ATOM 0 H ASN A 30 -7.195 -4.666 3.499 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.389 -5.391 3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.897 -5.207 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.999 -6.690 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.653 -3.428 6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.887 -3.405 6.587 1.00 0.00 H new ATOM 255 N HIS A 31 -7.224 -7.038 3.898 1.00 0.00 N ATOM 256 CA HIS A 31 -7.980 -8.232 3.558 1.00 0.00 C ATOM 257 C HIS A 31 -8.137 -8.323 2.038 1.00 0.00 C ATOM 258 O HIS A 31 -8.423 -9.394 1.504 1.00 0.00 O ATOM 259 CB HIS A 31 -9.321 -8.254 4.295 1.00 0.00 C ATOM 260 CG HIS A 31 -10.146 -9.491 4.031 1.00 0.00 C ATOM 261 ND1 HIS A 31 -10.247 -10.534 4.936 1.00 0.00 N ATOM 262 CD2 HIS A 31 -10.908 -9.841 2.955 1.00 0.00 C ATOM 263 CE1 HIS A 31 -11.035 -11.464 4.418 1.00 0.00 C ATOM 264 NE2 HIS A 31 -11.444 -11.033 3.190 1.00 0.00 N ATOM 0 H HIS A 31 -7.711 -6.385 4.512 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.436 -9.118 3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.137 -8.174 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.898 -7.376 4.005 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.051 -9.249 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.306 -12.399 4.886 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.060 -11.542 2.557 1.00 0.00 H new ATOM 271 N GLY A 32 -7.945 -7.185 1.386 1.00 0.00 N ATOM 272 CA GLY A 32 -8.062 -7.125 -0.061 1.00 0.00 C ATOM 273 C GLY A 32 -6.778 -7.608 -0.736 1.00 0.00 C ATOM 274 O GLY A 32 -6.823 -8.429 -1.650 1.00 0.00 O ATOM 0 H GLY A 32 -7.710 -6.299 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.901 -7.739 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.277 -6.102 -0.370 1.00 0.00 H new ATOM 278 N ILE A 33 -5.661 -7.078 -0.258 1.00 0.00 N ATOM 279 CA ILE A 33 -4.365 -7.445 -0.804 1.00 0.00 C ATOM 280 C ILE A 33 -4.142 -8.946 -0.612 1.00 0.00 C ATOM 281 O ILE A 33 -3.268 -9.534 -1.247 1.00 0.00 O ATOM 282 CB ILE A 33 -3.262 -6.576 -0.198 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.492 -5.097 -0.516 1.00 0.00 C ATOM 284 CG2 ILE A 33 -1.880 -7.051 -0.647 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.194 -4.427 -0.974 1.00 0.00 C ATOM 0 H ILE A 33 -5.627 -6.398 0.501 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.335 -7.253 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.301 -6.682 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.249 -5.002 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.877 -4.587 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.114 -6.416 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.728 -8.082 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.811 -6.995 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.385 -3.377 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.447 -4.503 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.825 -4.924 -1.871 1.00 0.00 H new ATOM 296 N SER A 34 -4.947 -9.523 0.269 1.00 0.00 N ATOM 297 CA SER A 34 -4.849 -10.945 0.553 1.00 0.00 C ATOM 298 C SER A 34 -5.654 -11.742 -0.476 1.00 0.00 C ATOM 299 O SER A 34 -5.179 -12.752 -0.993 1.00 0.00 O ATOM 300 CB SER A 34 -5.339 -11.258 1.968 1.00 0.00 C ATOM 301 OG SER A 34 -6.618 -11.885 1.963 1.00 0.00 O ATOM 0 H SER A 34 -5.670 -9.032 0.795 1.00 0.00 H new ATOM 0 HA SER A 34 -3.800 -11.235 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.619 -11.907 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.390 -10.336 2.547 1.00 0.00 H new ATOM 0 HG SER A 34 -7.312 -11.211 1.810 1.00 0.00 H new ATOM 306 N GLU A 35 -6.857 -11.258 -0.742 1.00 0.00 N ATOM 307 CA GLU A 35 -7.733 -11.912 -1.700 1.00 0.00 C ATOM 308 C GLU A 35 -7.383 -11.477 -3.124 1.00 0.00 C ATOM 309 O GLU A 35 -7.703 -12.171 -4.087 1.00 0.00 O ATOM 310 CB GLU A 35 -9.203 -11.626 -1.385 1.00 0.00 C ATOM 311 CG GLU A 35 -9.699 -12.511 -0.240 1.00 0.00 C ATOM 312 CD GLU A 35 -11.199 -12.786 -0.371 1.00 0.00 C ATOM 313 OE1 GLU A 35 -11.988 -11.847 -0.552 1.00 0.00 O ATOM 314 OE2 GLU A 35 -11.536 -14.027 -0.281 1.00 0.00 O ATOM 0 H GLU A 35 -7.247 -10.420 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.582 -12.989 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.324 -10.576 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.810 -11.800 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.151 -13.453 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.497 -12.025 0.714 1.00 0.00 H new ATOM 320 N LYS A 36 -6.728 -10.327 -3.213 1.00 0.00 N ATOM 321 CA LYS A 36 -6.330 -9.791 -4.502 1.00 0.00 C ATOM 322 C LYS A 36 -4.925 -10.290 -4.847 1.00 0.00 C ATOM 323 O LYS A 36 -4.719 -10.900 -5.894 1.00 0.00 O ATOM 324 CB LYS A 36 -6.460 -8.265 -4.510 1.00 0.00 C ATOM 325 CG LYS A 36 -6.901 -7.760 -5.886 1.00 0.00 C ATOM 326 CD LYS A 36 -6.727 -6.244 -5.996 1.00 0.00 C ATOM 327 CE LYS A 36 -7.505 -5.688 -7.190 1.00 0.00 C ATOM 328 NZ LYS A 36 -7.615 -6.707 -8.256 1.00 0.00 N ATOM 0 H LYS A 36 -6.464 -9.753 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.997 -10.150 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.183 -7.954 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.505 -7.814 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.317 -8.254 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.945 -8.023 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.072 -5.767 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.669 -6.003 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.500 -5.378 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.004 -4.801 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.895 -6.249 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.696 -7.177 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.331 -7.413 -7.989 1.00 0.00 H new ATOM 337 N LEU A 37 -3.995 -10.011 -3.945 1.00 0.00 N ATOM 338 CA LEU A 37 -2.616 -10.425 -4.142 1.00 0.00 C ATOM 339 C LEU A 37 -2.468 -11.895 -3.748 1.00 0.00 C ATOM 340 O LEU A 37 -1.982 -12.707 -4.535 1.00 0.00 O ATOM 341 CB LEU A 37 -1.664 -9.489 -3.391 1.00 0.00 C ATOM 342 CG LEU A 37 -0.403 -9.070 -4.148 1.00 0.00 C ATOM 343 CD1 LEU A 37 -0.757 -8.386 -5.470 1.00 0.00 C ATOM 344 CD2 LEU A 37 0.495 -8.192 -3.272 1.00 0.00 C ATOM 0 H LEU A 37 -4.169 -9.504 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.341 -10.347 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.214 -8.589 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.363 -9.977 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 37 0.163 -9.969 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.158 -8.099 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.326 -9.074 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.356 -7.497 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.385 -7.907 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.050 -7.295 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.790 -8.747 -2.382 1.00 0.00 H new ATOM 355 N HIS A 38 -2.897 -12.196 -2.531 1.00 0.00 N ATOM 356 CA HIS A 38 -2.820 -13.555 -2.024 1.00 0.00 C ATOM 357 C HIS A 38 -2.816 -13.533 -0.495 1.00 0.00 C ATOM 358 O HIS A 38 -2.154 -12.696 0.117 1.00 0.00 O ATOM 359 CB HIS A 38 -1.608 -14.285 -2.609 1.00 0.00 C ATOM 360 CG HIS A 38 -1.932 -15.159 -3.796 1.00 0.00 C ATOM 361 ND1 HIS A 38 -3.100 -15.026 -4.530 1.00 0.00 N ATOM 362 CD2 HIS A 38 -1.231 -16.178 -4.370 1.00 0.00 C ATOM 363 CE1 HIS A 38 -3.089 -15.930 -5.498 1.00 0.00 C ATOM 364 NE2 HIS A 38 -1.931 -16.645 -5.397 1.00 0.00 N ATOM 0 H HIS A 38 -3.299 -11.521 -1.881 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.699 -14.116 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.862 -13.548 -2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.157 -14.900 -1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.268 -16.544 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.862 -16.076 -6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.650 -17.411 -6.009 1.00 0.00 H new ATOM 371 N ILE A 39 -3.565 -14.462 0.081 1.00 0.00 N ATOM 372 CA ILE A 39 -3.658 -14.560 1.528 1.00 0.00 C ATOM 373 C ILE A 39 -2.273 -14.331 2.138 1.00 0.00 C ATOM 374 O ILE A 39 -1.420 -15.217 2.102 1.00 0.00 O ATOM 375 CB ILE A 39 -4.297 -15.889 1.935 1.00 0.00 C ATOM 376 CG1 ILE A 39 -5.730 -15.993 1.408 1.00 0.00 C ATOM 377 CG2 ILE A 39 -4.228 -16.088 3.451 1.00 0.00 C ATOM 378 CD1 ILE A 39 -6.629 -14.935 2.052 1.00 0.00 C ATOM 0 H ILE A 39 -4.114 -15.154 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.314 -13.784 1.922 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.726 -16.697 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.733 -15.868 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.126 -16.987 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.689 -17.040 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.186 -16.089 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.760 -15.277 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.642 -15.031 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.643 -15.078 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.244 -13.942 1.823 1.00 0.00 H new ATOM 389 N SER A 40 -2.094 -13.138 2.687 1.00 0.00 N ATOM 390 CA SER A 40 -0.828 -12.781 3.305 1.00 0.00 C ATOM 391 C SER A 40 -0.903 -11.362 3.869 1.00 0.00 C ATOM 392 O SER A 40 -0.051 -10.526 3.573 1.00 0.00 O ATOM 393 CB SER A 40 0.325 -12.895 2.305 1.00 0.00 C ATOM 394 OG SER A 40 1.416 -13.645 2.832 1.00 0.00 O ATOM 0 H SER A 40 -2.804 -12.407 2.717 1.00 0.00 H new ATOM 0 HA SER A 40 -0.636 -13.479 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.033 -13.369 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.669 -11.897 2.033 1.00 0.00 H new ATOM 0 HG SER A 40 2.131 -13.697 2.163 1.00 0.00 H new ATOM 399 N ILE A 41 -1.932 -11.132 4.672 1.00 0.00 N ATOM 400 CA ILE A 41 -2.129 -9.827 5.282 1.00 0.00 C ATOM 401 C ILE A 41 -0.927 -9.496 6.168 1.00 0.00 C ATOM 402 O ILE A 41 -0.581 -8.327 6.339 1.00 0.00 O ATOM 403 CB ILE A 41 -3.469 -9.777 6.017 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.639 -9.811 5.032 1.00 0.00 C ATOM 405 CG2 ILE A 41 -3.538 -8.563 6.947 1.00 0.00 C ATOM 406 CD1 ILE A 41 -5.973 -9.624 5.757 1.00 0.00 C ATOM 0 H ILE A 41 -2.638 -11.827 4.914 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.183 -9.052 4.517 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.549 -10.667 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.514 -9.026 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.642 -10.761 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.501 -8.550 7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.737 -8.623 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.425 -7.650 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.788 -9.652 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.107 -10.424 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.977 -8.662 6.270 1.00 0.00 H new ATOM 417 N LYS A 42 -0.323 -10.544 6.708 1.00 0.00 N ATOM 418 CA LYS A 42 0.833 -10.379 7.572 1.00 0.00 C ATOM 419 C LYS A 42 2.031 -9.929 6.733 1.00 0.00 C ATOM 420 O LYS A 42 2.837 -9.114 7.183 1.00 0.00 O ATOM 421 CB LYS A 42 1.089 -11.656 8.375 1.00 0.00 C ATOM 422 CG LYS A 42 1.007 -11.384 9.878 1.00 0.00 C ATOM 423 CD LYS A 42 1.662 -12.514 10.675 1.00 0.00 C ATOM 424 CE LYS A 42 1.653 -12.205 12.174 1.00 0.00 C ATOM 425 NZ LYS A 42 1.735 -13.455 12.961 1.00 0.00 N ATOM 0 H LYS A 42 -0.613 -11.511 6.564 1.00 0.00 H new ATOM 0 HA LYS A 42 0.649 -9.598 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.358 -12.416 8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.073 -12.055 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.499 -10.439 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.036 -11.281 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.133 -13.449 10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.688 -12.656 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.493 -11.556 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.744 -11.663 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.728 -13.227 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.920 -14.061 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.615 -13.957 12.725 1.00 0.00 H new ATOM 434 N THR A 43 2.112 -10.478 5.531 1.00 0.00 N ATOM 435 CA THR A 43 3.197 -10.144 4.625 1.00 0.00 C ATOM 436 C THR A 43 3.121 -8.670 4.223 1.00 0.00 C ATOM 437 O THR A 43 4.148 -8.015 4.051 1.00 0.00 O ATOM 438 CB THR A 43 3.134 -11.102 3.435 1.00 0.00 C ATOM 439 OG1 THR A 43 4.500 -11.385 3.144 1.00 0.00 O ATOM 440 CG2 THR A 43 2.613 -10.426 2.166 1.00 0.00 C ATOM 0 H THR A 43 1.442 -11.153 5.163 1.00 0.00 H new ATOM 0 HA THR A 43 4.166 -10.268 5.108 1.00 0.00 H new ATOM 0 HB THR A 43 2.493 -11.948 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.552 -12.002 2.384 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.588 -11.150 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.607 -10.045 2.343 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.272 -9.600 1.897 1.00 0.00 H new ATOM 448 N VAL A 44 1.894 -8.189 4.085 1.00 0.00 N ATOM 449 CA VAL A 44 1.669 -6.805 3.705 1.00 0.00 C ATOM 450 C VAL A 44 2.118 -5.890 4.847 1.00 0.00 C ATOM 451 O VAL A 44 2.568 -4.770 4.608 1.00 0.00 O ATOM 452 CB VAL A 44 0.205 -6.600 3.315 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.105 -5.116 3.107 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.150 -7.414 2.068 1.00 0.00 C ATOM 0 H VAL A 44 1.044 -8.734 4.230 1.00 0.00 H new ATOM 0 HA VAL A 44 2.263 -6.548 2.828 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.414 -6.959 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.153 -4.998 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.090 -4.571 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.527 -4.720 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.197 -7.250 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.480 -7.099 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.013 -8.473 2.266 1.00 0.00 H new ATOM 464 N GLU A 45 1.979 -6.399 6.061 1.00 0.00 N ATOM 465 CA GLU A 45 2.364 -5.642 7.241 1.00 0.00 C ATOM 466 C GLU A 45 3.848 -5.275 7.174 1.00 0.00 C ATOM 467 O GLU A 45 4.203 -4.101 7.259 1.00 0.00 O ATOM 468 CB GLU A 45 2.049 -6.420 8.519 1.00 0.00 C ATOM 469 CG GLU A 45 0.808 -5.853 9.213 1.00 0.00 C ATOM 470 CD GLU A 45 0.509 -6.611 10.509 1.00 0.00 C ATOM 471 OE1 GLU A 45 0.531 -6.015 11.595 1.00 0.00 O ATOM 472 OE2 GLU A 45 0.247 -7.866 10.358 1.00 0.00 O ATOM 0 H GLU A 45 1.605 -7.328 6.254 1.00 0.00 H new ATOM 0 HA GLU A 45 1.782 -4.721 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.888 -7.471 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.902 -6.375 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.961 -4.796 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.049 -5.919 8.543 1.00 0.00 H new ATOM 478 N THR A 46 4.672 -6.301 7.023 1.00 0.00 N ATOM 479 CA THR A 46 6.109 -6.100 6.944 1.00 0.00 C ATOM 480 C THR A 46 6.462 -5.239 5.729 1.00 0.00 C ATOM 481 O THR A 46 7.377 -4.420 5.789 1.00 0.00 O ATOM 482 CB THR A 46 6.777 -7.475 6.928 1.00 0.00 C ATOM 483 OG1 THR A 46 6.689 -7.920 8.280 1.00 0.00 O ATOM 484 CG2 THR A 46 8.282 -7.393 6.661 1.00 0.00 C ATOM 0 H THR A 46 4.372 -7.274 6.953 1.00 0.00 H new ATOM 0 HA THR A 46 6.480 -5.551 7.810 1.00 0.00 H new ATOM 0 HB THR A 46 6.307 -8.097 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.098 -8.807 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.707 -8.397 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.455 -6.925 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.758 -6.798 7.441 1.00 0.00 H new ATOM 492 N HIS A 47 5.717 -5.454 4.655 1.00 0.00 N ATOM 493 CA HIS A 47 5.940 -4.709 3.428 1.00 0.00 C ATOM 494 C HIS A 47 5.511 -3.253 3.628 1.00 0.00 C ATOM 495 O HIS A 47 6.205 -2.334 3.196 1.00 0.00 O ATOM 496 CB HIS A 47 5.231 -5.378 2.249 1.00 0.00 C ATOM 497 CG HIS A 47 4.415 -4.430 1.405 1.00 0.00 C ATOM 498 ND1 HIS A 47 4.939 -3.754 0.317 1.00 0.00 N ATOM 499 CD2 HIS A 47 3.107 -4.053 1.498 1.00 0.00 C ATOM 500 CE1 HIS A 47 3.982 -3.005 -0.213 1.00 0.00 C ATOM 501 NE2 HIS A 47 2.848 -3.192 0.520 1.00 0.00 N ATOM 0 H HIS A 47 4.958 -6.134 4.609 1.00 0.00 H new ATOM 0 HA HIS A 47 7.003 -4.710 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.976 -5.861 1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.578 -6.163 2.629 1.00 0.00 H new ATOM 0 HD1 HIS A 47 5.899 -3.821 -0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.402 -4.396 2.241 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.083 -2.360 -1.074 1.00 0.00 H new ATOM 508 N ARG A 48 4.371 -3.089 4.282 1.00 0.00 N ATOM 509 CA ARG A 48 3.843 -1.761 4.544 1.00 0.00 C ATOM 510 C ARG A 48 4.951 -0.841 5.058 1.00 0.00 C ATOM 511 O ARG A 48 5.048 0.313 4.641 1.00 0.00 O ATOM 512 CB ARG A 48 2.712 -1.812 5.575 1.00 0.00 C ATOM 513 CG ARG A 48 2.267 -0.403 5.968 1.00 0.00 C ATOM 514 CD ARG A 48 1.415 -0.431 7.239 1.00 0.00 C ATOM 515 NE ARG A 48 2.289 -0.480 8.433 1.00 0.00 N ATOM 516 CZ ARG A 48 2.683 -1.621 9.037 1.00 0.00 C ATOM 517 NH1 ARG A 48 2.282 -2.820 8.564 1.00 0.00 N ATOM 518 NH2 ARG A 48 3.464 -1.547 10.099 1.00 0.00 N ATOM 0 H ARG A 48 3.798 -3.854 4.638 1.00 0.00 H new ATOM 0 HA ARG A 48 3.448 -1.370 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.866 -2.364 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.046 -2.352 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.142 0.228 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.696 0.042 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.779 0.453 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.755 -1.298 7.225 1.00 0.00 H new ATOM 0 HE ARG A 48 2.614 0.404 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.677 -2.868 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.584 -3.678 9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.761 -0.637 10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.771 -2.400 10.567 1.00 0.00 H new ATOM 528 N MET A 49 5.760 -1.386 5.955 1.00 0.00 N ATOM 529 CA MET A 49 6.858 -0.627 6.530 1.00 0.00 C ATOM 530 C MET A 49 7.922 -0.316 5.475 1.00 0.00 C ATOM 531 O MET A 49 8.425 0.803 5.407 1.00 0.00 O ATOM 532 CB MET A 49 7.489 -1.428 7.671 1.00 0.00 C ATOM 533 CG MET A 49 6.972 -0.946 9.029 1.00 0.00 C ATOM 534 SD MET A 49 7.201 -2.223 10.256 1.00 0.00 S ATOM 535 CE MET A 49 7.362 -1.217 11.723 1.00 0.00 C ATOM 0 H MET A 49 5.677 -2.343 6.297 1.00 0.00 H new ATOM 0 HA MET A 49 6.464 0.316 6.910 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.262 -2.487 7.546 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.574 -1.328 7.634 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.502 -0.042 9.329 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.916 -0.687 8.954 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.512 -1.860 12.590 1.00 0.00 H new ATOM 0 HE2 MET A 49 8.216 -0.549 11.614 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.456 -0.627 11.861 1.00 0.00 H new ATOM 543 N ASN A 50 8.232 -1.328 4.678 1.00 0.00 N ATOM 544 CA ASN A 50 9.227 -1.178 3.630 1.00 0.00 C ATOM 545 C ASN A 50 8.902 0.067 2.800 1.00 0.00 C ATOM 546 O ASN A 50 9.795 0.843 2.465 1.00 0.00 O ATOM 547 CB ASN A 50 9.225 -2.385 2.692 1.00 0.00 C ATOM 548 CG ASN A 50 10.311 -3.389 3.086 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.380 -3.032 3.555 1.00 0.00 O ATOM 550 ND2 ASN A 50 9.981 -4.658 2.869 1.00 0.00 N ATOM 0 H ASN A 50 7.811 -2.255 4.737 1.00 0.00 H new ATOM 0 HA ASN A 50 10.205 -1.091 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.249 -2.870 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.387 -2.053 1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.640 -5.403 3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.069 -4.887 2.474 1.00 0.00 H new ATOM 556 N MET A 51 7.622 0.215 2.492 1.00 0.00 N ATOM 557 CA MET A 51 7.168 1.352 1.708 1.00 0.00 C ATOM 558 C MET A 51 7.538 2.670 2.389 1.00 0.00 C ATOM 559 O MET A 51 8.089 3.568 1.754 1.00 0.00 O ATOM 560 CB MET A 51 5.650 1.277 1.530 1.00 0.00 C ATOM 561 CG MET A 51 5.255 0.045 0.713 1.00 0.00 C ATOM 562 SD MET A 51 3.651 -0.543 1.232 1.00 0.00 S ATOM 563 CE MET A 51 2.697 -0.172 -0.230 1.00 0.00 C ATOM 0 H MET A 51 6.885 -0.433 2.771 1.00 0.00 H new ATOM 0 HA MET A 51 7.658 1.317 0.735 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.167 1.241 2.506 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.294 2.178 1.031 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.235 0.293 -0.348 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.999 -0.741 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.915 0.546 0.018 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.350 0.252 -0.993 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.242 -1.087 -0.610 1.00 0.00 H new ATOM 571 N MET A 52 7.220 2.746 3.673 1.00 0.00 N ATOM 572 CA MET A 52 7.510 3.941 4.448 1.00 0.00 C ATOM 573 C MET A 52 9.019 4.136 4.608 1.00 0.00 C ATOM 574 O MET A 52 9.466 5.156 5.131 1.00 0.00 O ATOM 575 CB MET A 52 6.862 3.826 5.828 1.00 0.00 C ATOM 576 CG MET A 52 5.362 3.540 5.707 1.00 0.00 C ATOM 577 SD MET A 52 4.578 4.803 4.719 1.00 0.00 S ATOM 578 CE MET A 52 4.254 3.876 3.229 1.00 0.00 C ATOM 0 H MET A 52 6.764 1.999 4.197 1.00 0.00 H new ATOM 0 HA MET A 52 7.104 4.802 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.343 3.029 6.395 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.016 4.751 6.384 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.205 2.562 5.253 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.908 3.508 6.698 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.305 4.197 2.800 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.055 4.050 2.511 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.204 2.813 3.465 1.00 0.00 H new ATOM 586 N ARG A 53 9.765 3.142 4.147 1.00 0.00 N ATOM 587 CA ARG A 53 11.214 3.191 4.233 1.00 0.00 C ATOM 588 C ARG A 53 11.801 3.813 2.964 1.00 0.00 C ATOM 589 O ARG A 53 12.759 4.580 3.031 1.00 0.00 O ATOM 590 CB ARG A 53 11.803 1.791 4.425 1.00 0.00 C ATOM 591 CG ARG A 53 12.872 1.791 5.518 1.00 0.00 C ATOM 592 CD ARG A 53 12.936 0.434 6.223 1.00 0.00 C ATOM 593 NE ARG A 53 14.347 0.041 6.436 1.00 0.00 N ATOM 594 CZ ARG A 53 14.732 -1.032 7.161 1.00 0.00 C ATOM 595 NH1 ARG A 53 13.814 -1.828 7.748 1.00 0.00 N ATOM 596 NH2 ARG A 53 16.021 -1.289 7.285 1.00 0.00 N ATOM 0 H ARG A 53 9.392 2.298 3.713 1.00 0.00 H new ATOM 0 HA ARG A 53 11.473 3.804 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.009 1.092 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.237 1.443 3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.843 2.024 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.653 2.573 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.416 0.487 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.426 -0.321 5.624 1.00 0.00 H new ATOM 0 HE ARG A 53 15.074 0.616 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.820 -1.622 7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.114 -2.636 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.707 -0.682 6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.330 -2.095 7.829 1.00 0.00 H new ATOM 606 N LYS A 54 11.200 3.459 1.838 1.00 0.00 N ATOM 607 CA LYS A 54 11.650 3.974 0.556 1.00 0.00 C ATOM 608 C LYS A 54 10.882 5.256 0.226 1.00 0.00 C ATOM 609 O LYS A 54 11.481 6.273 -0.118 1.00 0.00 O ATOM 610 CB LYS A 54 11.537 2.896 -0.524 1.00 0.00 C ATOM 611 CG LYS A 54 12.778 2.001 -0.537 1.00 0.00 C ATOM 612 CD LYS A 54 13.960 2.712 -1.200 1.00 0.00 C ATOM 613 CE LYS A 54 15.249 1.908 -1.028 1.00 0.00 C ATOM 614 NZ LYS A 54 16.175 2.165 -2.153 1.00 0.00 N ATOM 0 H LYS A 54 10.405 2.822 1.787 1.00 0.00 H new ATOM 0 HA LYS A 54 12.706 4.238 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.649 2.290 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.412 3.365 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.042 1.724 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.559 1.077 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.755 2.854 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.084 3.703 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.728 2.176 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 54 15.017 0.844 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.045 1.611 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.721 1.887 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.411 3.177 -2.184 1.00 0.00 H new ATOM 623 N LEU A 55 9.566 5.165 0.346 1.00 0.00 N ATOM 624 CA LEU A 55 8.708 6.305 0.065 1.00 0.00 C ATOM 625 C LEU A 55 8.906 7.365 1.151 1.00 0.00 C ATOM 626 O LEU A 55 8.894 8.562 0.865 1.00 0.00 O ATOM 627 CB LEU A 55 7.255 5.855 -0.099 1.00 0.00 C ATOM 628 CG LEU A 55 6.995 4.808 -1.184 1.00 0.00 C ATOM 629 CD1 LEU A 55 6.305 3.575 -0.601 1.00 0.00 C ATOM 630 CD2 LEU A 55 6.206 5.411 -2.348 1.00 0.00 C ATOM 0 H LEU A 55 9.072 4.320 0.634 1.00 0.00 H new ATOM 0 HA LEU A 55 8.983 6.765 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.910 5.455 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.646 6.733 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 55 7.956 4.481 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.132 2.846 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.939 3.132 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.351 3.866 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.034 4.647 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.248 5.783 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.773 6.234 -2.784 1.00 0.00 H new ATOM 641 N GLN A 56 9.081 6.887 2.374 1.00 0.00 N ATOM 642 CA GLN A 56 9.280 7.777 3.505 1.00 0.00 C ATOM 643 C GLN A 56 8.015 8.596 3.765 1.00 0.00 C ATOM 644 O GLN A 56 8.085 9.708 4.285 1.00 0.00 O ATOM 645 CB GLN A 56 10.486 8.693 3.275 1.00 0.00 C ATOM 646 CG GLN A 56 11.797 7.954 3.557 1.00 0.00 C ATOM 647 CD GLN A 56 12.794 8.861 4.279 1.00 0.00 C ATOM 648 OE1 GLN A 56 12.648 9.180 5.448 1.00 0.00 O ATOM 649 NE2 GLN A 56 13.812 9.258 3.521 1.00 0.00 N ATOM 0 H GLN A 56 9.089 5.894 2.607 1.00 0.00 H new ATOM 0 HA GLN A 56 9.486 7.171 4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.482 9.054 2.247 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.411 9.568 3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.597 7.071 4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.230 7.605 2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.873 8.954 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.531 9.867 3.911 1.00 0.00 H new ATOM 656 N VAL A 57 6.884 8.013 3.394 1.00 0.00 N ATOM 657 CA VAL A 57 5.604 8.671 3.581 1.00 0.00 C ATOM 658 C VAL A 57 5.033 8.290 4.948 1.00 0.00 C ATOM 659 O VAL A 57 5.767 7.847 5.830 1.00 0.00 O ATOM 660 CB VAL A 57 4.663 8.330 2.423 1.00 0.00 C ATOM 661 CG1 VAL A 57 5.364 8.514 1.076 1.00 0.00 C ATOM 662 CG2 VAL A 57 4.114 6.909 2.567 1.00 0.00 C ATOM 0 H VAL A 57 6.829 7.090 2.964 1.00 0.00 H new ATOM 0 HA VAL A 57 5.728 9.754 3.571 1.00 0.00 H new ATOM 0 HB VAL A 57 3.820 9.021 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.674 8.265 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.686 9.550 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.233 7.858 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.448 6.690 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.940 6.198 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.562 6.825 3.503 1.00 0.00 H new ATOM 672 N HIS A 58 3.727 8.476 5.082 1.00 0.00 N ATOM 673 CA HIS A 58 3.051 8.155 6.328 1.00 0.00 C ATOM 674 C HIS A 58 2.181 6.912 6.132 1.00 0.00 C ATOM 675 O HIS A 58 1.125 6.981 5.504 1.00 0.00 O ATOM 676 CB HIS A 58 2.258 9.361 6.840 1.00 0.00 C ATOM 677 CG HIS A 58 1.500 9.097 8.118 1.00 0.00 C ATOM 678 ND1 HIS A 58 0.137 9.307 8.239 1.00 0.00 N ATOM 679 CD2 HIS A 58 1.927 8.639 9.330 1.00 0.00 C ATOM 680 CE1 HIS A 58 -0.228 8.987 9.472 1.00 0.00 C ATOM 681 NE2 HIS A 58 0.882 8.574 10.146 1.00 0.00 N ATOM 0 H HIS A 58 3.120 8.844 4.349 1.00 0.00 H new ATOM 0 HA HIS A 58 3.786 7.923 7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.944 10.193 7.001 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.554 9.674 6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.943 8.374 9.583 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.229 9.044 9.872 1.00 0.00 H new ATOM 0 HE2 HIS A 58 0.906 8.266 11.118 1.00 0.00 H new ATOM 688 N LYS A 59 2.655 5.805 6.683 1.00 0.00 N ATOM 689 CA LYS A 59 1.934 4.548 6.579 1.00 0.00 C ATOM 690 C LYS A 59 1.510 4.328 5.125 1.00 0.00 C ATOM 691 O LYS A 59 1.858 5.116 4.248 1.00 0.00 O ATOM 692 CB LYS A 59 0.769 4.515 7.570 1.00 0.00 C ATOM 693 CG LYS A 59 0.389 3.075 7.923 1.00 0.00 C ATOM 694 CD LYS A 59 0.018 2.953 9.403 1.00 0.00 C ATOM 695 CE LYS A 59 -0.083 1.485 9.821 1.00 0.00 C ATOM 696 NZ LYS A 59 0.053 1.356 11.290 1.00 0.00 N ATOM 0 H LYS A 59 3.531 5.752 7.204 1.00 0.00 H new ATOM 0 HA LYS A 59 2.580 3.714 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.043 5.055 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.092 5.027 7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.451 2.755 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.222 2.409 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.767 3.458 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.933 3.454 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.040 1.074 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.695 0.905 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.018 0.354 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.977 1.730 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.705 1.894 11.757 1.00 0.00 H new ATOM 705 N VAL A 60 0.768 3.251 4.915 1.00 0.00 N ATOM 706 CA VAL A 60 0.294 2.916 3.583 1.00 0.00 C ATOM 707 C VAL A 60 -0.821 3.886 3.185 1.00 0.00 C ATOM 708 O VAL A 60 -1.096 4.068 2.001 1.00 0.00 O ATOM 709 CB VAL A 60 -0.144 1.451 3.537 1.00 0.00 C ATOM 710 CG1 VAL A 60 -1.458 1.296 2.770 1.00 0.00 C ATOM 711 CG2 VAL A 60 0.951 0.572 2.929 1.00 0.00 C ATOM 0 H VAL A 60 0.483 2.599 5.645 1.00 0.00 H new ATOM 0 HA VAL A 60 1.096 3.025 2.853 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.312 1.119 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.747 0.245 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.237 1.878 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.328 1.654 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.615 -0.465 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.163 0.906 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.856 0.648 3.532 1.00 0.00 H new ATOM 721 N THR A 61 -1.434 4.482 4.197 1.00 0.00 N ATOM 722 CA THR A 61 -2.511 5.428 3.968 1.00 0.00 C ATOM 723 C THR A 61 -2.044 6.556 3.048 1.00 0.00 C ATOM 724 O THR A 61 -2.689 6.850 2.041 1.00 0.00 O ATOM 725 CB THR A 61 -3.007 5.920 5.330 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.748 4.819 5.848 1.00 0.00 O ATOM 727 CG2 THR A 61 -4.041 7.041 5.206 1.00 0.00 C ATOM 0 H THR A 61 -1.204 4.327 5.179 1.00 0.00 H new ATOM 0 HA THR A 61 -3.348 4.957 3.452 1.00 0.00 H new ATOM 0 HB THR A 61 -2.160 6.271 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.105 5.051 6.731 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.360 7.353 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.598 7.889 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.903 6.680 4.645 1.00 0.00 H new ATOM 735 N GLU A 62 -0.926 7.160 3.424 1.00 0.00 N ATOM 736 CA GLU A 62 -0.364 8.250 2.644 1.00 0.00 C ATOM 737 C GLU A 62 0.061 7.750 1.261 1.00 0.00 C ATOM 738 O GLU A 62 0.160 8.533 0.318 1.00 0.00 O ATOM 739 CB GLU A 62 0.811 8.899 3.377 1.00 0.00 C ATOM 740 CG GLU A 62 0.993 10.355 2.940 1.00 0.00 C ATOM 741 CD GLU A 62 -0.072 11.253 3.575 1.00 0.00 C ATOM 742 OE1 GLU A 62 -1.223 11.272 3.114 1.00 0.00 O ATOM 743 OE2 GLU A 62 0.334 11.952 4.581 1.00 0.00 O ATOM 0 H GLU A 62 -0.394 6.915 4.259 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.133 9.011 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.641 8.857 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.724 8.338 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.986 10.703 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.932 10.423 1.854 1.00 0.00 H new ATOM 749 N LEU A 63 0.301 6.449 1.186 1.00 0.00 N ATOM 750 CA LEU A 63 0.713 5.835 -0.065 1.00 0.00 C ATOM 751 C LEU A 63 -0.449 5.885 -1.059 1.00 0.00 C ATOM 752 O LEU A 63 -0.257 6.218 -2.227 1.00 0.00 O ATOM 753 CB LEU A 63 1.251 4.425 0.182 1.00 0.00 C ATOM 754 CG LEU A 63 2.772 4.265 0.109 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.170 2.788 0.151 1.00 0.00 C ATOM 756 CD2 LEU A 63 3.340 4.978 -1.120 1.00 0.00 C ATOM 0 H LEU A 63 0.218 5.803 1.971 1.00 0.00 H new ATOM 0 HA LEU A 63 1.538 6.392 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.918 4.098 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.799 3.752 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 63 3.209 4.741 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.255 2.702 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.816 2.342 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.723 2.266 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.422 4.849 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.900 4.553 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.103 6.041 -1.066 1.00 0.00 H new ATOM 767 N LEU A 64 -1.629 5.547 -0.559 1.00 0.00 N ATOM 768 CA LEU A 64 -2.822 5.549 -1.388 1.00 0.00 C ATOM 769 C LEU A 64 -3.025 6.946 -1.978 1.00 0.00 C ATOM 770 O LEU A 64 -3.410 7.083 -3.138 1.00 0.00 O ATOM 771 CB LEU A 64 -4.025 5.033 -0.598 1.00 0.00 C ATOM 772 CG LEU A 64 -4.223 3.517 -0.589 1.00 0.00 C ATOM 773 CD1 LEU A 64 -2.891 2.790 -0.389 1.00 0.00 C ATOM 774 CD2 LEU A 64 -5.264 3.105 0.453 1.00 0.00 C ATOM 0 H LEU A 64 -1.784 5.270 0.410 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.704 4.863 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.930 5.373 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.925 5.494 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.609 3.218 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.061 1.713 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.210 3.048 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.452 3.090 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.385 2.022 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.932 3.419 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.218 3.580 0.222 1.00 0.00 H new ATOM 785 N ASN A 65 -2.757 7.947 -1.153 1.00 0.00 N ATOM 786 CA ASN A 65 -2.907 9.328 -1.578 1.00 0.00 C ATOM 787 C ASN A 65 -1.698 9.730 -2.424 1.00 0.00 C ATOM 788 O ASN A 65 -1.706 10.779 -3.067 1.00 0.00 O ATOM 789 CB ASN A 65 -2.975 10.270 -0.374 1.00 0.00 C ATOM 790 CG ASN A 65 -2.807 11.728 -0.809 1.00 0.00 C ATOM 791 OD1 ASN A 65 -1.708 12.232 -0.967 1.00 0.00 O ATOM 792 ND2 ASN A 65 -3.954 12.374 -0.992 1.00 0.00 N ATOM 0 H ASN A 65 -2.437 7.829 -0.192 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.831 9.407 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.931 10.146 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.196 10.008 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.948 13.352 -1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.840 11.892 -0.842 1.00 0.00 H new ATOM 798 N CYS A 66 -0.686 8.875 -2.399 1.00 0.00 N ATOM 799 CA CYS A 66 0.528 9.128 -3.155 1.00 0.00 C ATOM 800 C CYS A 66 0.332 8.585 -4.572 1.00 0.00 C ATOM 801 O CYS A 66 0.405 9.335 -5.543 1.00 0.00 O ATOM 802 CB CYS A 66 1.756 8.520 -2.474 1.00 0.00 C ATOM 803 SG CYS A 66 2.316 9.603 -1.109 1.00 0.00 S ATOM 0 H CYS A 66 -0.682 8.005 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 66 0.715 10.201 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.515 7.530 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.559 8.392 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 66 1.531 9.451 -0.084 1.00 0.00 H new ATOM 808 N ALA A 67 0.089 7.284 -4.644 1.00 0.00 N ATOM 809 CA ALA A 67 -0.117 6.632 -5.926 1.00 0.00 C ATOM 810 C ALA A 67 -1.206 7.376 -6.703 1.00 0.00 C ATOM 811 O ALA A 67 -1.154 7.452 -7.929 1.00 0.00 O ATOM 812 CB ALA A 67 -0.466 5.159 -5.699 1.00 0.00 C ATOM 0 H ALA A 67 0.030 6.665 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 67 0.794 6.663 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.621 4.669 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.351 4.669 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.377 5.088 -5.105 1.00 0.00 H new ATOM 818 N ARG A 68 -2.164 7.906 -5.957 1.00 0.00 N ATOM 819 CA ARG A 68 -3.261 8.640 -6.560 1.00 0.00 C ATOM 820 C ARG A 68 -2.886 10.114 -6.728 1.00 0.00 C ATOM 821 O ARG A 68 -3.098 10.696 -7.791 1.00 0.00 O ATOM 822 CB ARG A 68 -4.528 8.539 -5.708 1.00 0.00 C ATOM 823 CG ARG A 68 -5.754 8.251 -6.576 1.00 0.00 C ATOM 824 CD ARG A 68 -6.846 9.297 -6.349 1.00 0.00 C ATOM 825 NE ARG A 68 -8.152 8.774 -6.809 1.00 0.00 N ATOM 826 CZ ARG A 68 -8.508 8.664 -8.106 1.00 0.00 C ATOM 827 NH1 ARG A 68 -7.657 9.039 -9.085 1.00 0.00 N ATOM 828 NH2 ARG A 68 -9.701 8.183 -8.404 1.00 0.00 N ATOM 0 H ARG A 68 -2.202 7.841 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.457 8.197 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.410 7.749 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.677 9.470 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.466 8.244 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.142 7.259 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.900 9.554 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.602 10.213 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.825 8.478 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.737 9.409 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.934 8.952 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.338 7.901 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.986 8.093 -9.379 1.00 0.00 H new ATOM 838 N ARG A 69 -2.332 10.675 -5.663 1.00 0.00 N ATOM 839 CA ARG A 69 -1.925 12.070 -5.679 1.00 0.00 C ATOM 840 C ARG A 69 -3.130 12.973 -5.954 1.00 0.00 C ATOM 841 O ARG A 69 -3.075 13.835 -6.830 1.00 0.00 O ATOM 842 CB ARG A 69 -0.855 12.319 -6.744 1.00 0.00 C ATOM 843 CG ARG A 69 -0.214 13.697 -6.566 1.00 0.00 C ATOM 844 CD ARG A 69 1.300 13.578 -6.382 1.00 0.00 C ATOM 845 NE ARG A 69 2.000 14.192 -7.531 1.00 0.00 N ATOM 846 CZ ARG A 69 3.261 13.884 -7.903 1.00 0.00 C ATOM 847 NH1 ARG A 69 3.971 12.963 -7.218 1.00 0.00 N ATOM 848 NH2 ARG A 69 3.787 14.495 -8.948 1.00 0.00 N ATOM 0 H ARG A 69 -2.155 10.189 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.508 12.305 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.088 11.547 -6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.301 12.247 -7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.431 14.318 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.651 14.196 -5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.602 14.070 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.582 12.529 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 69 1.498 14.893 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.556 12.494 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.923 12.736 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.242 15.188 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.738 14.274 -9.242 1.00 0.00 H new ATOM 858 N MET A 70 -4.187 12.743 -5.191 1.00 0.00 N ATOM 859 CA MET A 70 -5.403 13.524 -5.341 1.00 0.00 C ATOM 860 C MET A 70 -5.366 14.772 -4.457 1.00 0.00 C ATOM 861 O MET A 70 -5.278 15.892 -4.961 1.00 0.00 O ATOM 862 CB MET A 70 -6.612 12.667 -4.963 1.00 0.00 C ATOM 863 CG MET A 70 -7.919 13.358 -5.356 1.00 0.00 C ATOM 864 SD MET A 70 -8.538 14.317 -3.984 1.00 0.00 S ATOM 865 CE MET A 70 -9.640 15.422 -4.851 1.00 0.00 C ATOM 0 H MET A 70 -4.227 12.026 -4.466 1.00 0.00 H new ATOM 0 HA MET A 70 -5.482 13.840 -6.381 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.545 11.699 -5.459 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.606 12.476 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.753 14.005 -6.217 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.658 12.614 -5.654 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.115 16.096 -4.138 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.074 16.004 -5.578 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.405 14.842 -5.367 1.00 0.00 H new ATOM 873 N ARG A 71 -5.434 14.538 -3.155 1.00 0.00 N ATOM 874 CA ARG A 71 -5.410 15.630 -2.197 1.00 0.00 C ATOM 875 C ARG A 71 -5.467 15.083 -0.768 1.00 0.00 C ATOM 876 O ARG A 71 -4.597 15.380 0.048 1.00 0.00 O ATOM 877 CB ARG A 71 -6.587 16.583 -2.417 1.00 0.00 C ATOM 878 CG ARG A 71 -6.504 17.783 -1.472 1.00 0.00 C ATOM 879 CD ARG A 71 -7.332 17.543 -0.207 1.00 0.00 C ATOM 880 NE ARG A 71 -8.432 18.530 -0.128 1.00 0.00 N ATOM 881 CZ ARG A 71 -8.288 19.791 0.332 1.00 0.00 C ATOM 882 NH1 ARG A 71 -7.084 20.230 0.756 1.00 0.00 N ATOM 883 NH2 ARG A 71 -9.340 20.588 0.357 1.00 0.00 N ATOM 0 H ARG A 71 -5.506 13.609 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.480 16.179 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.591 16.929 -3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.525 16.052 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.464 17.966 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.863 18.677 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.739 16.532 -0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.696 17.623 0.675 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.358 18.239 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.276 19.608 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.982 21.184 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.245 20.248 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.248 21.544 0.702 1.00 0.00 H new ATOM 893 N LEU A 72 -6.501 14.295 -0.511 1.00 0.00 N ATOM 894 CA LEU A 72 -6.683 13.703 0.803 1.00 0.00 C ATOM 895 C LEU A 72 -7.738 12.599 0.721 1.00 0.00 C ATOM 896 O LEU A 72 -8.550 12.442 1.631 1.00 0.00 O ATOM 897 CB LEU A 72 -7.005 14.785 1.837 1.00 0.00 C ATOM 898 CG LEU A 72 -6.417 14.574 3.233 1.00 0.00 C ATOM 899 CD1 LEU A 72 -6.978 13.304 3.878 1.00 0.00 C ATOM 900 CD2 LEU A 72 -4.888 14.567 3.191 1.00 0.00 C ATOM 0 H LEU A 72 -7.222 14.053 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.758 13.235 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.649 15.742 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.088 14.861 1.928 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.717 15.414 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.544 13.177 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.061 13.388 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.729 12.441 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.497 14.415 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.546 13.760 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.530 15.521 2.803 1.00 0.00 H new ATOM 911 N ILE A 73 -7.693 11.863 -0.380 1.00 0.00 N ATOM 912 CA ILE A 73 -8.635 10.778 -0.595 1.00 0.00 C ATOM 913 C ILE A 73 -8.642 9.864 0.633 1.00 0.00 C ATOM 914 O ILE A 73 -9.701 9.436 1.087 1.00 0.00 O ATOM 915 CB ILE A 73 -8.323 10.048 -1.903 1.00 0.00 C ATOM 916 CG1 ILE A 73 -9.348 8.945 -2.172 1.00 0.00 C ATOM 917 CG2 ILE A 73 -6.890 9.512 -1.903 1.00 0.00 C ATOM 918 CD1 ILE A 73 -8.903 8.054 -3.334 1.00 0.00 C ATOM 0 H ILE A 73 -7.018 11.997 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.646 11.169 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.398 10.764 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.480 8.340 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.316 9.391 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.694 8.998 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.191 10.341 -1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.762 8.815 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.649 7.278 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.795 8.658 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.947 7.590 -3.092 1.00 0.00 H new ATOM 929 N GLU A 74 -7.446 9.594 1.136 1.00 0.00 N ATOM 930 CA GLU A 74 -7.301 8.739 2.302 1.00 0.00 C ATOM 931 C GLU A 74 -8.004 7.400 2.069 1.00 0.00 C ATOM 932 O GLU A 74 -8.702 6.900 2.950 1.00 0.00 O ATOM 933 CB GLU A 74 -7.838 9.429 3.557 1.00 0.00 C ATOM 934 CG GLU A 74 -7.243 8.805 4.823 1.00 0.00 C ATOM 935 CD GLU A 74 -8.213 8.924 6.000 1.00 0.00 C ATOM 936 OE1 GLU A 74 -9.017 8.009 6.236 1.00 0.00 O ATOM 937 OE2 GLU A 74 -8.111 10.013 6.683 1.00 0.00 O ATOM 0 H GLU A 74 -6.569 9.952 0.758 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.239 8.547 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.598 10.492 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.925 9.349 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.012 7.755 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.304 9.300 5.070 1.00 0.00 H new ATOM 943 N TYR A 75 -7.795 6.858 0.879 1.00 0.00 N ATOM 944 CA TYR A 75 -8.399 5.587 0.519 1.00 0.00 C ATOM 945 C TYR A 75 -7.980 4.484 1.494 1.00 0.00 C ATOM 946 O TYR A 75 -7.113 4.696 2.340 1.00 0.00 O ATOM 947 CB TYR A 75 -7.869 5.246 -0.874 1.00 0.00 C ATOM 948 CG TYR A 75 -8.697 4.194 -1.616 1.00 0.00 C ATOM 949 CD1 TYR A 75 -8.843 2.930 -1.082 1.00 0.00 C ATOM 950 CD2 TYR A 75 -9.296 4.509 -2.819 1.00 0.00 C ATOM 951 CE1 TYR A 75 -9.622 1.939 -1.780 1.00 0.00 C ATOM 952 CE2 TYR A 75 -10.074 3.519 -3.516 1.00 0.00 C ATOM 953 CZ TYR A 75 -10.200 2.283 -2.963 1.00 0.00 C ATOM 954 OH TYR A 75 -10.935 1.348 -3.621 1.00 0.00 O ATOM 0 H TYR A 75 -7.215 7.276 0.151 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.486 5.659 0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.838 6.157 -1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.843 4.888 -0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.373 2.684 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.181 5.498 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.744 0.946 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.548 3.753 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.368 0.884 -4.272 1.00 0.00 H new TER 963 TYR A 75