USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 539 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 30 GLN :FLIP amide:sc= -0.0244 F(o=-5.3,f=-4.5) USER MOD Set 1.2: A 47 HIS :FLIP no HD1:sc= -3.47! C(o=-7.6!,f=-4.5!) USER MOD Set 1.3: A 48 THR OG1 : rot -81:sc= -0.979! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -12.8! C(o=-13!,f=-16!) USER MOD Single : A 26 SER OG : rot 180:sc= -1.65 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.75 K(o=-1.8,f=-3.6!) USER MOD Single : A 36 ASN : amide:sc= -10.2! C(o=-10!,f=-16!) USER MOD Single : A 39 LYS NZ :NH3+ -106:sc= -0.282 (180deg=-1.72!) USER MOD Single : A 40 LYS NZ :NH3+ -148:sc= -2.13 (180deg=-4.76!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= -0.064 (180deg=-0.341) USER MOD Single : A 62 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.461 USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= -1.56 (180deg=-2.78!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -10.080 -11.599 2.349 1.00 0.00 N ATOM 2 CA GLU A 16 -9.747 -11.966 3.755 1.00 0.00 C ATOM 3 C GLU A 16 -9.723 -10.714 4.638 1.00 0.00 C ATOM 4 O GLU A 16 -10.272 -10.698 5.722 1.00 0.00 O ATOM 5 CB GLU A 16 -8.353 -12.590 3.683 1.00 0.00 C ATOM 6 CG GLU A 16 -8.300 -13.604 2.539 1.00 0.00 C ATOM 7 CD GLU A 16 -7.043 -14.463 2.681 1.00 0.00 C ATOM 8 OE1 GLU A 16 -6.205 -14.122 3.500 1.00 0.00 O ATOM 9 OE2 GLU A 16 -6.938 -15.449 1.970 1.00 0.00 O ATOM 0 HA GLU A 16 -10.480 -12.648 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.604 -11.813 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.114 -13.080 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.189 -14.235 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.294 -13.087 1.580 1.00 0.00 H new ATOM 16 N GLU A 17 -9.087 -9.669 4.183 1.00 0.00 N ATOM 17 CA GLU A 17 -9.023 -8.422 4.999 1.00 0.00 C ATOM 18 C GLU A 17 -9.956 -7.355 4.420 1.00 0.00 C ATOM 19 O GLU A 17 -11.084 -7.206 4.846 1.00 0.00 O ATOM 20 CB GLU A 17 -7.567 -7.964 4.906 1.00 0.00 C ATOM 21 CG GLU A 17 -6.768 -8.555 6.069 1.00 0.00 C ATOM 22 CD GLU A 17 -5.827 -7.489 6.635 1.00 0.00 C ATOM 23 OE1 GLU A 17 -6.279 -6.373 6.833 1.00 0.00 O ATOM 24 OE2 GLU A 17 -4.670 -7.806 6.856 1.00 0.00 O ATOM 0 H GLU A 17 -8.609 -9.624 3.283 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.336 -8.590 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.135 -8.281 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.515 -6.876 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.445 -8.908 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.195 -9.418 5.729 1.00 0.00 H new ATOM 31 N GLU A 18 -9.491 -6.606 3.457 1.00 0.00 N ATOM 32 CA GLU A 18 -10.352 -5.545 2.862 1.00 0.00 C ATOM 33 C GLU A 18 -10.310 -5.615 1.333 1.00 0.00 C ATOM 34 O GLU A 18 -9.448 -6.243 0.752 1.00 0.00 O ATOM 35 CB GLU A 18 -9.748 -4.228 3.352 1.00 0.00 C ATOM 36 CG GLU A 18 -10.652 -3.616 4.423 1.00 0.00 C ATOM 37 CD GLU A 18 -10.091 -3.934 5.811 1.00 0.00 C ATOM 38 OE1 GLU A 18 -9.057 -4.578 5.877 1.00 0.00 O ATOM 39 OE2 GLU A 18 -10.704 -3.526 6.783 1.00 0.00 O ATOM 0 H GLU A 18 -8.555 -6.683 3.058 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.397 -5.653 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.752 -4.402 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.635 -3.535 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.718 -2.537 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.663 -4.011 4.329 1.00 0.00 H new ATOM 46 N SER A 19 -11.237 -4.972 0.680 1.00 0.00 N ATOM 47 CA SER A 19 -11.260 -4.991 -0.810 1.00 0.00 C ATOM 48 C SER A 19 -11.546 -3.594 -1.345 1.00 0.00 C ATOM 49 O SER A 19 -10.654 -2.846 -1.690 1.00 0.00 O ATOM 50 CB SER A 19 -12.392 -5.950 -1.179 1.00 0.00 C ATOM 51 OG SER A 19 -11.838 -7.197 -1.576 1.00 0.00 O ATOM 0 H SER A 19 -11.984 -4.431 1.116 1.00 0.00 H new ATOM 0 HA SER A 19 -10.307 -5.307 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.059 -6.089 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.991 -5.531 -1.988 1.00 0.00 H new ATOM 0 HG SER A 19 -12.560 -7.816 -1.812 1.00 0.00 H new ATOM 57 N PHE A 20 -12.791 -3.248 -1.409 1.00 0.00 N ATOM 58 CA PHE A 20 -13.182 -1.901 -1.914 1.00 0.00 C ATOM 59 C PHE A 20 -12.209 -0.836 -1.396 1.00 0.00 C ATOM 60 O PHE A 20 -11.528 -1.035 -0.408 1.00 0.00 O ATOM 61 CB PHE A 20 -14.586 -1.662 -1.354 1.00 0.00 C ATOM 62 CG PHE A 20 -15.590 -2.461 -2.152 1.00 0.00 C ATOM 63 CD1 PHE A 20 -16.114 -1.936 -3.337 1.00 0.00 C ATOM 64 CD2 PHE A 20 -15.994 -3.726 -1.707 1.00 0.00 C ATOM 65 CE1 PHE A 20 -17.045 -2.673 -4.080 1.00 0.00 C ATOM 66 CE2 PHE A 20 -16.925 -4.465 -2.449 1.00 0.00 C ATOM 67 CZ PHE A 20 -17.450 -3.938 -3.636 1.00 0.00 C ATOM 0 H PHE A 20 -13.570 -3.844 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.161 -1.846 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.625 -1.954 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.831 -0.601 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -15.801 -0.961 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.588 -4.132 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -17.450 -2.266 -4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -17.238 -5.440 -2.106 1.00 0.00 H new ATOM 0 HZ PHE A 20 -18.167 -4.507 -4.209 1.00 0.00 H new ATOM 77 N GLY A 21 -12.139 0.291 -2.051 1.00 0.00 N ATOM 78 CA GLY A 21 -11.209 1.363 -1.592 1.00 0.00 C ATOM 79 C GLY A 21 -10.084 1.538 -2.616 1.00 0.00 C ATOM 80 O GLY A 21 -9.487 0.573 -3.049 1.00 0.00 O ATOM 0 H GLY A 21 -12.685 0.516 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.751 2.301 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.792 1.105 -0.619 1.00 0.00 H new ATOM 84 N PRO A 22 -9.833 2.771 -2.970 1.00 0.00 N ATOM 85 CA PRO A 22 -8.770 3.077 -3.954 1.00 0.00 C ATOM 86 C PRO A 22 -7.389 2.991 -3.295 1.00 0.00 C ATOM 87 O PRO A 22 -6.376 3.234 -3.919 1.00 0.00 O ATOM 88 CB PRO A 22 -9.084 4.506 -4.385 1.00 0.00 C ATOM 89 CG PRO A 22 -9.846 5.107 -3.244 1.00 0.00 C ATOM 90 CD PRO A 22 -10.511 3.980 -2.491 1.00 0.00 C ATOM 0 HA PRO A 22 -8.746 2.381 -4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.170 5.066 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.674 4.519 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.176 5.663 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.591 5.813 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -10.396 4.100 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -11.581 3.943 -2.695 1.00 0.00 H new ATOM 98 N GLN A 23 -7.341 2.643 -2.038 1.00 0.00 N ATOM 99 CA GLN A 23 -6.026 2.535 -1.343 1.00 0.00 C ATOM 100 C GLN A 23 -5.261 3.843 -1.427 1.00 0.00 C ATOM 101 O GLN A 23 -4.120 3.871 -1.840 1.00 0.00 O ATOM 102 CB GLN A 23 -5.282 1.413 -2.065 1.00 0.00 C ATOM 103 CG GLN A 23 -5.902 0.070 -1.674 1.00 0.00 C ATOM 104 CD GLN A 23 -5.163 -1.070 -2.383 1.00 0.00 C ATOM 105 OE1 GLN A 23 -3.965 -1.215 -2.242 1.00 0.00 O ATOM 106 NE2 GLN A 23 -5.834 -1.892 -3.141 1.00 0.00 N ATOM 0 H GLN A 23 -8.155 2.429 -1.462 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.143 2.321 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.342 1.555 -3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.225 1.431 -1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.847 -0.065 -0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.958 0.054 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.840 -1.771 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.353 -2.656 -3.615 1.00 0.00 H new ATOM 115 N PRO A 24 -5.905 4.886 -0.989 1.00 0.00 N ATOM 116 CA PRO A 24 -5.260 6.213 -0.981 1.00 0.00 C ATOM 117 C PRO A 24 -4.142 6.208 0.056 1.00 0.00 C ATOM 118 O PRO A 24 -4.143 6.972 1.002 1.00 0.00 O ATOM 119 CB PRO A 24 -6.387 7.163 -0.586 1.00 0.00 C ATOM 120 CG PRO A 24 -7.361 6.305 0.155 1.00 0.00 C ATOM 121 CD PRO A 24 -7.271 4.932 -0.458 1.00 0.00 C ATOM 0 HA PRO A 24 -4.809 6.498 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.019 7.976 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.847 7.619 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.120 6.272 1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.372 6.703 0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.441 4.150 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.013 4.794 -1.245 1.00 0.00 H new ATOM 129 N ILE A 25 -3.183 5.340 -0.123 1.00 0.00 N ATOM 130 CA ILE A 25 -2.050 5.261 0.835 1.00 0.00 C ATOM 131 C ILE A 25 -1.179 6.510 0.705 1.00 0.00 C ATOM 132 O ILE A 25 -0.234 6.697 1.443 1.00 0.00 O ATOM 133 CB ILE A 25 -1.268 4.012 0.421 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.435 4.322 -0.826 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.241 2.874 0.107 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.409 3.103 -1.192 1.00 0.00 C ATOM 0 H ILE A 25 -3.138 4.679 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.380 5.205 1.872 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.611 3.713 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.089 4.587 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.210 5.181 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.680 1.987 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.837 2.650 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.900 3.173 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.002 3.324 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.074 2.859 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.245 2.255 -1.395 1.00 0.00 H new ATOM 148 N SER A 26 -1.498 7.345 -0.250 1.00 0.00 N ATOM 149 CA SER A 26 -0.710 8.597 -0.485 1.00 0.00 C ATOM 150 C SER A 26 -0.031 9.092 0.796 1.00 0.00 C ATOM 151 O SER A 26 1.168 9.004 0.943 1.00 0.00 O ATOM 152 CB SER A 26 -1.737 9.621 -0.963 1.00 0.00 C ATOM 153 OG SER A 26 -1.212 10.329 -2.078 1.00 0.00 O ATOM 0 H SER A 26 -2.283 7.212 -0.888 1.00 0.00 H new ATOM 0 HA SER A 26 0.091 8.430 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.665 9.120 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.977 10.315 -0.158 1.00 0.00 H new ATOM 0 HG SER A 26 -1.870 10.986 -2.388 1.00 0.00 H new ATOM 159 N ARG A 27 -0.780 9.621 1.722 1.00 0.00 N ATOM 160 CA ARG A 27 -0.153 10.131 2.980 1.00 0.00 C ATOM 161 C ARG A 27 0.035 9.002 3.995 1.00 0.00 C ATOM 162 O ARG A 27 0.847 9.093 4.892 1.00 0.00 O ATOM 163 CB ARG A 27 -1.132 11.175 3.517 1.00 0.00 C ATOM 164 CG ARG A 27 -0.878 12.518 2.827 1.00 0.00 C ATOM 165 CD ARG A 27 -2.212 13.224 2.570 1.00 0.00 C ATOM 166 NE ARG A 27 -1.843 14.557 2.015 1.00 0.00 N ATOM 167 CZ ARG A 27 -1.367 15.487 2.800 1.00 0.00 C ATOM 168 NH1 ARG A 27 -1.206 15.250 4.074 1.00 0.00 N ATOM 169 NH2 ARG A 27 -1.049 16.654 2.311 1.00 0.00 N ATOM 0 H ARG A 27 -1.793 9.724 1.666 1.00 0.00 H new ATOM 0 HA ARG A 27 0.837 10.549 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.158 10.852 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.012 11.280 4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.238 13.143 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.351 12.361 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.828 12.661 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.788 13.325 3.490 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.962 14.744 1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.452 14.338 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.834 15.977 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.172 16.841 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.678 17.380 2.924 1.00 0.00 H new ATOM 183 N LEU A 28 -0.712 7.943 3.868 1.00 0.00 N ATOM 184 CA LEU A 28 -0.577 6.819 4.837 1.00 0.00 C ATOM 185 C LEU A 28 0.850 6.267 4.838 1.00 0.00 C ATOM 186 O LEU A 28 1.572 6.390 5.808 1.00 0.00 O ATOM 187 CB LEU A 28 -1.560 5.755 4.350 1.00 0.00 C ATOM 188 CG LEU A 28 -2.573 5.452 5.456 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.399 6.706 5.758 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.506 4.330 4.996 1.00 0.00 C ATOM 0 H LEU A 28 -1.410 7.806 3.137 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.787 7.138 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.076 6.103 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.023 4.847 4.075 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.042 5.143 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.119 6.486 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.737 7.508 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.930 7.018 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.229 4.112 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.034 4.642 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.921 3.435 4.783 1.00 0.00 H new ATOM 202 N GLU A 29 1.257 5.641 3.768 1.00 0.00 N ATOM 203 CA GLU A 29 2.628 5.056 3.719 1.00 0.00 C ATOM 204 C GLU A 29 3.680 6.108 3.339 1.00 0.00 C ATOM 205 O GLU A 29 4.821 6.014 3.749 1.00 0.00 O ATOM 206 CB GLU A 29 2.541 3.964 2.650 1.00 0.00 C ATOM 207 CG GLU A 29 2.567 4.590 1.255 1.00 0.00 C ATOM 208 CD GLU A 29 3.998 4.572 0.721 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.760 5.447 1.098 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.309 3.686 -0.060 1.00 0.00 O ATOM 0 H GLU A 29 0.699 5.509 2.924 1.00 0.00 H new ATOM 0 HA GLU A 29 2.937 4.669 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.373 3.269 2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.625 3.388 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.909 4.038 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.195 5.614 1.296 1.00 0.00 H new ATOM 217 N GLN A 30 3.328 7.104 2.570 1.00 0.00 N ATOM 218 CA GLN A 30 4.350 8.127 2.201 1.00 0.00 C ATOM 219 C GLN A 30 4.728 8.939 3.436 1.00 0.00 C ATOM 220 O GLN A 30 5.846 9.396 3.576 1.00 0.00 O ATOM 221 CB GLN A 30 3.693 9.019 1.150 1.00 0.00 C ATOM 222 CG GLN A 30 4.772 9.775 0.372 1.00 0.00 C ATOM 223 CD GLN A 30 4.125 10.906 -0.429 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.156 10.867 -1.732 1.00 0.00 O flip ATOM 225 NE2 GLN A 30 3.585 11.836 0.137 1.00 0.00 N flip ATOM 0 H GLN A 30 2.394 7.253 2.187 1.00 0.00 H new ATOM 0 HA GLN A 30 5.262 7.674 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.095 8.415 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.015 9.724 1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.514 10.180 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.297 9.094 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.560 11.868 1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.157 12.585 -0.407 1.00 0.00 H new ATOM 234 N CYS A 31 3.807 9.113 4.342 1.00 0.00 N ATOM 235 CA CYS A 31 4.118 9.883 5.576 1.00 0.00 C ATOM 236 C CYS A 31 4.883 8.980 6.545 1.00 0.00 C ATOM 237 O CYS A 31 5.478 9.436 7.501 1.00 0.00 O ATOM 238 CB CYS A 31 2.759 10.278 6.154 1.00 0.00 C ATOM 239 SG CYS A 31 2.989 11.533 7.437 1.00 0.00 S ATOM 0 H CYS A 31 2.854 8.755 4.281 1.00 0.00 H new ATOM 0 HA CYS A 31 4.736 10.761 5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.115 10.664 5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.262 9.403 6.572 1.00 0.00 H new ATOM 0 HG CYS A 31 1.833 11.870 7.927 1.00 0.00 H new ATOM 245 N GLY A 32 4.878 7.699 6.289 1.00 0.00 N ATOM 246 CA GLY A 32 5.615 6.760 7.177 1.00 0.00 C ATOM 247 C GLY A 32 4.643 5.784 7.847 1.00 0.00 C ATOM 248 O GLY A 32 4.493 5.786 9.053 1.00 0.00 O ATOM 0 H GLY A 32 4.395 7.264 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.354 6.207 6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.160 7.320 7.937 1.00 0.00 H new ATOM 252 N ILE A 33 4.001 4.928 7.092 1.00 0.00 N ATOM 253 CA ILE A 33 3.077 3.951 7.724 1.00 0.00 C ATOM 254 C ILE A 33 3.921 2.808 8.301 1.00 0.00 C ATOM 255 O ILE A 33 4.876 3.036 9.017 1.00 0.00 O ATOM 256 CB ILE A 33 2.130 3.477 6.599 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.943 2.729 7.217 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.859 2.546 5.616 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.366 3.366 6.745 1.00 0.00 C ATOM 0 H ILE A 33 4.078 4.867 6.077 1.00 0.00 H new ATOM 0 HA ILE A 33 2.488 4.366 8.542 1.00 0.00 H new ATOM 0 HB ILE A 33 1.782 4.353 6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.972 1.678 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.005 2.763 8.305 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.168 2.228 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.697 3.078 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.230 1.671 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.209 2.833 7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.395 4.411 7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.428 3.308 5.658 1.00 0.00 H new ATOM 271 N ASN A 34 3.596 1.593 7.998 1.00 0.00 N ATOM 272 CA ASN A 34 4.400 0.451 8.529 1.00 0.00 C ATOM 273 C ASN A 34 5.653 0.242 7.671 1.00 0.00 C ATOM 274 O ASN A 34 6.162 1.163 7.063 1.00 0.00 O ATOM 275 CB ASN A 34 3.478 -0.762 8.436 1.00 0.00 C ATOM 276 CG ASN A 34 3.625 -1.610 9.701 1.00 0.00 C ATOM 277 OD1 ASN A 34 4.483 -2.466 9.775 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.816 -1.409 10.704 1.00 0.00 N ATOM 0 H ASN A 34 2.808 1.331 7.405 1.00 0.00 H new ATOM 0 HA ASN A 34 4.740 0.625 9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.444 -0.438 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.727 -1.355 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.904 -1.971 11.551 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.095 -0.690 10.642 1.00 0.00 H new ATOM 285 N ALA A 35 6.157 -0.964 7.620 1.00 0.00 N ATOM 286 CA ALA A 35 7.380 -1.229 6.803 1.00 0.00 C ATOM 287 C ALA A 35 7.233 -0.634 5.409 1.00 0.00 C ATOM 288 O ALA A 35 8.206 -0.339 4.745 1.00 0.00 O ATOM 289 CB ALA A 35 7.464 -2.749 6.683 1.00 0.00 C ATOM 0 H ALA A 35 5.776 -1.775 8.107 1.00 0.00 H new ATOM 0 HA ALA A 35 8.265 -0.789 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.340 -3.020 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.545 -3.189 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.567 -3.125 6.192 1.00 0.00 H new ATOM 295 N ASN A 36 6.024 -0.486 4.947 1.00 0.00 N ATOM 296 CA ASN A 36 5.819 0.055 3.580 1.00 0.00 C ATOM 297 C ASN A 36 6.779 1.199 3.287 1.00 0.00 C ATOM 298 O ASN A 36 7.566 1.121 2.369 1.00 0.00 O ATOM 299 CB ASN A 36 4.388 0.579 3.536 1.00 0.00 C ATOM 300 CG ASN A 36 3.406 -0.545 3.868 1.00 0.00 C ATOM 301 OD1 ASN A 36 2.933 -1.232 2.987 1.00 0.00 O ATOM 302 ND2 ASN A 36 3.073 -0.761 5.111 1.00 0.00 N ATOM 0 H ASN A 36 5.171 -0.716 5.457 1.00 0.00 H new ATOM 0 HA ASN A 36 5.999 -0.722 2.837 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.270 1.397 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.170 0.982 2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.416 -1.507 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.470 -0.184 5.853 1.00 0.00 H new ATOM 309 N ASP A 37 6.693 2.263 4.040 1.00 0.00 N ATOM 310 CA ASP A 37 7.578 3.441 3.797 1.00 0.00 C ATOM 311 C ASP A 37 8.883 3.015 3.119 1.00 0.00 C ATOM 312 O ASP A 37 9.115 3.289 1.958 1.00 0.00 O ATOM 313 CB ASP A 37 7.868 4.007 5.190 1.00 0.00 C ATOM 314 CG ASP A 37 8.777 5.232 5.063 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.599 5.246 4.161 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.635 6.136 5.869 1.00 0.00 O ATOM 0 H ASP A 37 6.043 2.368 4.819 1.00 0.00 H new ATOM 0 HA ASP A 37 7.108 4.171 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.936 4.282 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.346 3.249 5.810 1.00 0.00 H new ATOM 321 N VAL A 38 9.727 2.339 3.839 1.00 0.00 N ATOM 322 CA VAL A 38 11.026 1.888 3.263 1.00 0.00 C ATOM 323 C VAL A 38 10.856 1.084 1.967 1.00 0.00 C ATOM 324 O VAL A 38 11.362 1.455 0.929 1.00 0.00 O ATOM 325 CB VAL A 38 11.636 0.987 4.335 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.084 0.669 3.963 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.602 1.701 5.687 1.00 0.00 C ATOM 0 H VAL A 38 9.574 2.075 4.812 1.00 0.00 H new ATOM 0 HA VAL A 38 11.644 2.748 3.005 1.00 0.00 H new ATOM 0 HB VAL A 38 11.063 0.062 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.523 0.026 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.109 0.159 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.655 1.595 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.038 1.056 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.174 2.627 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.570 1.930 5.952 1.00 0.00 H new ATOM 337 N LYS A 39 10.199 -0.044 2.026 1.00 0.00 N ATOM 338 CA LYS A 39 10.076 -0.893 0.802 1.00 0.00 C ATOM 339 C LYS A 39 8.938 -0.459 -0.126 1.00 0.00 C ATOM 340 O LYS A 39 9.125 -0.325 -1.317 1.00 0.00 O ATOM 341 CB LYS A 39 9.806 -2.299 1.341 1.00 0.00 C ATOM 342 CG LYS A 39 10.858 -2.656 2.394 1.00 0.00 C ATOM 343 CD LYS A 39 10.268 -2.468 3.793 1.00 0.00 C ATOM 344 CE LYS A 39 10.157 -3.827 4.490 1.00 0.00 C ATOM 345 NZ LYS A 39 11.550 -4.355 4.533 1.00 0.00 N ATOM 0 H LYS A 39 9.745 -0.413 2.861 1.00 0.00 H new ATOM 0 HA LYS A 39 10.977 -0.820 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.809 -2.347 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.832 -3.023 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.184 -3.688 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.738 -2.025 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.899 -1.798 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.285 -2.002 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.743 -3.723 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.497 -4.499 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.654 -5.118 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.218 -3.589 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.751 -4.727 5.483 1.00 0.00 H new ATOM 359 N LYS A 40 7.757 -0.277 0.382 1.00 0.00 N ATOM 360 CA LYS A 40 6.630 0.092 -0.515 1.00 0.00 C ATOM 361 C LYS A 40 6.935 1.336 -1.357 1.00 0.00 C ATOM 362 O LYS A 40 6.816 1.312 -2.558 1.00 0.00 O ATOM 363 CB LYS A 40 5.446 0.368 0.394 1.00 0.00 C ATOM 364 CG LYS A 40 4.430 -0.767 0.258 1.00 0.00 C ATOM 365 CD LYS A 40 3.376 -0.391 -0.783 1.00 0.00 C ATOM 366 CE LYS A 40 2.743 0.947 -0.398 1.00 0.00 C ATOM 367 NZ LYS A 40 3.018 1.852 -1.550 1.00 0.00 N ATOM 0 H LYS A 40 7.522 -0.366 1.371 1.00 0.00 H new ATOM 0 HA LYS A 40 6.438 -0.715 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.779 0.452 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.984 1.319 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.935 -1.687 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.954 -0.959 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.832 -0.320 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.611 -1.166 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.672 0.842 -0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.176 1.338 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.130 2.827 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.891 1.550 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.224 1.811 -2.221 1.00 0.00 H new ATOM 381 N LEU A 41 7.267 2.441 -0.746 1.00 0.00 N ATOM 382 CA LEU A 41 7.495 3.680 -1.556 1.00 0.00 C ATOM 383 C LEU A 41 8.939 3.853 -2.066 1.00 0.00 C ATOM 384 O LEU A 41 9.170 4.611 -2.987 1.00 0.00 O ATOM 385 CB LEU A 41 7.111 4.831 -0.620 1.00 0.00 C ATOM 386 CG LEU A 41 8.329 5.281 0.190 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.998 6.462 -0.515 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.888 5.703 1.593 1.00 0.00 C ATOM 0 H LEU A 41 7.390 2.543 0.261 1.00 0.00 H new ATOM 0 HA LEU A 41 6.901 3.640 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.722 5.667 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.315 4.512 0.053 1.00 0.00 H new ATOM 0 HG LEU A 41 9.037 4.456 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.866 6.785 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.316 6.158 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.289 7.286 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.758 6.023 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.179 6.528 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.413 4.860 2.094 1.00 0.00 H new ATOM 400 N GLU A 42 9.921 3.223 -1.481 1.00 0.00 N ATOM 401 CA GLU A 42 11.311 3.466 -1.982 1.00 0.00 C ATOM 402 C GLU A 42 11.691 2.533 -3.136 1.00 0.00 C ATOM 403 O GLU A 42 12.502 2.881 -3.972 1.00 0.00 O ATOM 404 CB GLU A 42 12.232 3.235 -0.785 1.00 0.00 C ATOM 405 CG GLU A 42 13.555 3.970 -1.014 1.00 0.00 C ATOM 406 CD GLU A 42 13.818 4.936 0.143 1.00 0.00 C ATOM 407 OE1 GLU A 42 12.861 5.335 0.786 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.972 5.260 0.366 1.00 0.00 O ATOM 0 H GLU A 42 9.832 2.570 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 42 11.396 4.477 -2.382 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.757 3.594 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.414 2.169 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.371 3.252 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.519 4.517 -1.956 1.00 0.00 H new ATOM 415 N GLU A 43 11.129 1.363 -3.200 1.00 0.00 N ATOM 416 CA GLU A 43 11.489 0.438 -4.316 1.00 0.00 C ATOM 417 C GLU A 43 10.998 1.012 -5.650 1.00 0.00 C ATOM 418 O GLU A 43 11.314 0.510 -6.711 1.00 0.00 O ATOM 419 CB GLU A 43 10.780 -0.872 -3.985 1.00 0.00 C ATOM 420 CG GLU A 43 11.224 -1.343 -2.597 1.00 0.00 C ATOM 421 CD GLU A 43 12.686 -1.792 -2.651 1.00 0.00 C ATOM 422 OE1 GLU A 43 12.997 -2.628 -3.482 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.468 -1.297 -1.857 1.00 0.00 O ATOM 0 H GLU A 43 10.442 1.005 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 43 12.565 0.296 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.699 -0.731 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.018 -1.628 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.107 -0.536 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.592 -2.166 -2.262 1.00 0.00 H new ATOM 430 N ALA A 44 10.236 2.071 -5.596 1.00 0.00 N ATOM 431 CA ALA A 44 9.723 2.705 -6.845 1.00 0.00 C ATOM 432 C ALA A 44 8.942 3.963 -6.485 1.00 0.00 C ATOM 433 O ALA A 44 9.175 5.029 -7.018 1.00 0.00 O ATOM 434 CB ALA A 44 8.792 1.676 -7.476 1.00 0.00 C ATOM 0 H ALA A 44 9.944 2.528 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 44 10.526 2.988 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.379 2.078 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.350 0.765 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.981 1.448 -6.785 1.00 0.00 H new ATOM 440 N GLY A 45 8.021 3.848 -5.572 1.00 0.00 N ATOM 441 CA GLY A 45 7.235 5.042 -5.171 1.00 0.00 C ATOM 442 C GLY A 45 5.736 4.767 -5.298 1.00 0.00 C ATOM 443 O GLY A 45 4.977 5.630 -5.693 1.00 0.00 O ATOM 0 H GLY A 45 7.780 2.983 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.475 5.313 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.509 5.891 -5.797 1.00 0.00 H new ATOM 447 N PHE A 46 5.285 3.588 -4.948 1.00 0.00 N ATOM 448 CA PHE A 46 3.804 3.314 -5.047 1.00 0.00 C ATOM 449 C PHE A 46 3.059 3.956 -3.869 1.00 0.00 C ATOM 450 O PHE A 46 1.918 3.639 -3.603 1.00 0.00 O ATOM 451 CB PHE A 46 3.622 1.796 -4.983 1.00 0.00 C ATOM 452 CG PHE A 46 4.598 1.116 -5.900 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.860 0.798 -5.422 1.00 0.00 C ATOM 454 CD2 PHE A 46 4.243 0.804 -7.217 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.780 0.169 -6.242 1.00 0.00 C ATOM 456 CE2 PHE A 46 5.169 0.168 -8.052 1.00 0.00 C ATOM 457 CZ PHE A 46 6.442 -0.151 -7.563 1.00 0.00 C ATOM 0 H PHE A 46 5.856 2.816 -4.605 1.00 0.00 H new ATOM 0 HA PHE A 46 3.405 3.729 -5.973 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.770 1.448 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.603 1.533 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.126 1.043 -4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.259 1.053 -7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.761 -0.076 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.903 -0.076 -9.070 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.161 -0.642 -8.202 1.00 0.00 H new ATOM 467 N HIS A 47 3.696 4.839 -3.153 1.00 0.00 N ATOM 468 CA HIS A 47 3.030 5.489 -1.985 1.00 0.00 C ATOM 469 C HIS A 47 1.801 6.295 -2.429 1.00 0.00 C ATOM 470 O HIS A 47 1.785 7.506 -2.354 1.00 0.00 O ATOM 471 CB HIS A 47 4.097 6.415 -1.395 1.00 0.00 C ATOM 472 CG HIS A 47 4.612 7.342 -2.463 1.00 0.00 C ATOM 473 ND1 HIS A 47 4.066 7.770 -3.646 1.00 0.00 N flip ATOM 474 CD2 HIS A 47 5.854 7.954 -2.377 1.00 0.00 C flip ATOM 475 CE1 HIS A 47 4.951 8.632 -4.288 1.00 0.00 C flip ATOM 476 NE2 HIS A 47 6.012 8.708 -3.482 1.00 0.00 N flip ATOM 0 H HIS A 47 4.655 5.142 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 47 2.669 4.757 -1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.676 6.992 -0.571 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.917 5.826 -0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.565 7.846 -1.571 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.809 9.132 -5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.841 9.269 -3.679 1.00 0.00 H new ATOM 484 N THR A 48 0.769 5.630 -2.883 1.00 0.00 N ATOM 485 CA THR A 48 -0.465 6.354 -3.323 1.00 0.00 C ATOM 486 C THR A 48 -1.532 5.359 -3.795 1.00 0.00 C ATOM 487 O THR A 48 -1.294 4.171 -3.885 1.00 0.00 O ATOM 488 CB THR A 48 -0.026 7.237 -4.495 1.00 0.00 C ATOM 489 OG1 THR A 48 1.302 6.907 -4.870 1.00 0.00 O ATOM 490 CG2 THR A 48 -0.096 8.710 -4.088 1.00 0.00 C ATOM 0 H THR A 48 0.727 4.614 -2.969 1.00 0.00 H new ATOM 0 HA THR A 48 -0.899 6.935 -2.509 1.00 0.00 H new ATOM 0 HB THR A 48 -0.692 7.067 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.933 7.355 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.217 9.334 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.119 8.962 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.564 8.884 -3.238 1.00 0.00 H new ATOM 498 N VAL A 49 -2.706 5.846 -4.103 1.00 0.00 N ATOM 499 CA VAL A 49 -3.808 4.952 -4.584 1.00 0.00 C ATOM 500 C VAL A 49 -3.264 3.844 -5.496 1.00 0.00 C ATOM 501 O VAL A 49 -3.844 2.782 -5.611 1.00 0.00 O ATOM 502 CB VAL A 49 -4.739 5.870 -5.376 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.468 6.814 -4.416 1.00 0.00 C ATOM 504 CG2 VAL A 49 -3.918 6.692 -6.372 1.00 0.00 C ATOM 0 H VAL A 49 -2.953 6.834 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.312 4.454 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.469 5.267 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.131 7.468 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.054 6.230 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.739 7.417 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.581 7.347 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.187 7.294 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.400 6.021 -7.057 1.00 0.00 H new ATOM 514 N GLU A 50 -2.163 4.086 -6.151 1.00 0.00 N ATOM 515 CA GLU A 50 -1.579 3.058 -7.065 1.00 0.00 C ATOM 516 C GLU A 50 -1.647 1.643 -6.470 1.00 0.00 C ATOM 517 O GLU A 50 -1.554 0.666 -7.185 1.00 0.00 O ATOM 518 CB GLU A 50 -0.120 3.479 -7.235 1.00 0.00 C ATOM 519 CG GLU A 50 0.008 4.413 -8.441 1.00 0.00 C ATOM 520 CD GLU A 50 0.498 5.785 -7.975 1.00 0.00 C ATOM 521 OE1 GLU A 50 -0.339 6.617 -7.663 1.00 0.00 O ATOM 522 OE2 GLU A 50 1.702 5.982 -7.939 1.00 0.00 O ATOM 0 H GLU A 50 -1.637 4.958 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.129 3.013 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.231 3.982 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.509 2.600 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.705 3.994 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.955 4.510 -8.943 1.00 0.00 H new ATOM 529 N ALA A 51 -1.782 1.512 -5.177 1.00 0.00 N ATOM 530 CA ALA A 51 -1.824 0.147 -4.574 1.00 0.00 C ATOM 531 C ALA A 51 -3.001 -0.675 -5.116 1.00 0.00 C ATOM 532 O ALA A 51 -3.109 -1.856 -4.855 1.00 0.00 O ATOM 533 CB ALA A 51 -1.987 0.388 -3.074 1.00 0.00 C ATOM 0 H ALA A 51 -1.864 2.285 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.926 -0.423 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.027 -0.569 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.141 0.967 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.910 0.938 -2.892 1.00 0.00 H new ATOM 539 N VAL A 52 -3.891 -0.073 -5.862 1.00 0.00 N ATOM 540 CA VAL A 52 -5.051 -0.850 -6.395 1.00 0.00 C ATOM 541 C VAL A 52 -5.222 -0.621 -7.900 1.00 0.00 C ATOM 542 O VAL A 52 -6.274 -0.221 -8.356 1.00 0.00 O ATOM 543 CB VAL A 52 -6.263 -0.315 -5.634 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.618 1.079 -6.154 1.00 0.00 C ATOM 545 CG2 VAL A 52 -7.454 -1.254 -5.845 1.00 0.00 C ATOM 0 H VAL A 52 -3.867 0.913 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.916 -1.923 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.027 -0.258 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.483 1.461 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.771 1.749 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.853 1.022 -7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.319 -0.872 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.689 -1.311 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.203 -2.248 -5.475 1.00 0.00 H new ATOM 555 N ALA A 53 -4.203 -0.876 -8.679 1.00 0.00 N ATOM 556 CA ALA A 53 -4.330 -0.674 -10.154 1.00 0.00 C ATOM 557 C ALA A 53 -2.962 -0.779 -10.838 1.00 0.00 C ATOM 558 O ALA A 53 -2.612 -1.798 -11.400 1.00 0.00 O ATOM 559 CB ALA A 53 -4.895 0.739 -10.315 1.00 0.00 C ATOM 0 H ALA A 53 -3.294 -1.213 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.969 -1.430 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.018 0.963 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.862 0.803 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.208 1.458 -9.869 1.00 0.00 H new ATOM 565 N TYR A 54 -2.198 0.278 -10.808 1.00 0.00 N ATOM 566 CA TYR A 54 -0.859 0.262 -11.468 1.00 0.00 C ATOM 567 C TYR A 54 -0.144 -1.077 -11.248 1.00 0.00 C ATOM 568 O TYR A 54 0.669 -1.489 -12.050 1.00 0.00 O ATOM 569 CB TYR A 54 -0.081 1.402 -10.811 1.00 0.00 C ATOM 570 CG TYR A 54 -0.033 2.583 -11.751 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.122 3.456 -11.836 1.00 0.00 C ATOM 572 CD2 TYR A 54 1.103 2.803 -12.540 1.00 0.00 C ATOM 573 CE1 TYR A 54 -1.077 4.551 -12.709 1.00 0.00 C ATOM 574 CE2 TYR A 54 1.149 3.898 -13.412 1.00 0.00 C ATOM 575 CZ TYR A 54 0.059 4.771 -13.496 1.00 0.00 C ATOM 576 OH TYR A 54 0.102 5.848 -14.358 1.00 0.00 O ATOM 0 H TYR A 54 -2.444 1.157 -10.353 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.942 0.386 -12.548 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.557 1.689 -9.873 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.930 1.075 -10.569 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.998 3.286 -11.228 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.944 2.128 -12.476 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.918 5.225 -12.774 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.026 4.068 -14.019 1.00 0.00 H new ATOM 0 HH TYR A 54 0.962 5.856 -14.829 1.00 0.00 H new ATOM 586 N ALA A 55 -0.428 -1.760 -10.171 1.00 0.00 N ATOM 587 CA ALA A 55 0.257 -3.064 -9.928 1.00 0.00 C ATOM 588 C ALA A 55 -0.444 -3.845 -8.810 1.00 0.00 C ATOM 589 O ALA A 55 -0.998 -3.263 -7.900 1.00 0.00 O ATOM 590 CB ALA A 55 1.678 -2.692 -9.505 1.00 0.00 C ATOM 0 H ALA A 55 -1.097 -1.476 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 55 0.243 -3.701 -10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.248 -3.600 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.159 -2.128 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.641 -2.083 -8.602 1.00 0.00 H new ATOM 596 N PRO A 56 -0.379 -5.147 -8.913 1.00 0.00 N ATOM 597 CA PRO A 56 -1.003 -6.024 -7.893 1.00 0.00 C ATOM 598 C PRO A 56 -0.175 -6.000 -6.607 1.00 0.00 C ATOM 599 O PRO A 56 1.034 -6.127 -6.627 1.00 0.00 O ATOM 600 CB PRO A 56 -0.985 -7.405 -8.542 1.00 0.00 C ATOM 601 CG PRO A 56 0.127 -7.352 -9.538 1.00 0.00 C ATOM 602 CD PRO A 56 0.270 -5.916 -9.981 1.00 0.00 C ATOM 0 HA PRO A 56 -2.010 -5.716 -7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.814 -8.186 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.937 -7.626 -9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.056 -7.711 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.090 -7.996 -10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.317 -5.636 -10.094 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.211 -5.746 -10.944 1.00 0.00 H new ATOM 610 N LYS A 57 -0.821 -5.822 -5.490 1.00 0.00 N ATOM 611 CA LYS A 57 -0.087 -5.769 -4.195 1.00 0.00 C ATOM 612 C LYS A 57 1.033 -6.814 -4.147 1.00 0.00 C ATOM 613 O LYS A 57 2.004 -6.646 -3.446 1.00 0.00 O ATOM 614 CB LYS A 57 -1.142 -6.069 -3.130 1.00 0.00 C ATOM 615 CG LYS A 57 -1.957 -7.294 -3.547 1.00 0.00 C ATOM 616 CD LYS A 57 -2.572 -7.941 -2.304 1.00 0.00 C ATOM 617 CE LYS A 57 -4.092 -7.770 -2.339 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.596 -8.571 -1.188 1.00 0.00 N ATOM 0 H LYS A 57 -1.832 -5.710 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 57 0.392 -4.801 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.662 -6.249 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.799 -5.209 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.742 -7.002 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.319 -8.010 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.315 -9.000 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.164 -7.483 -1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.374 -6.721 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.508 -8.127 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.633 -8.503 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.319 -9.566 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.189 -8.204 -0.304 1.00 0.00 H new ATOM 632 N LYS A 58 0.908 -7.891 -4.875 1.00 0.00 N ATOM 633 CA LYS A 58 1.978 -8.939 -4.843 1.00 0.00 C ATOM 634 C LYS A 58 3.140 -8.558 -5.769 1.00 0.00 C ATOM 635 O LYS A 58 4.259 -8.996 -5.597 1.00 0.00 O ATOM 636 CB LYS A 58 1.293 -10.213 -5.344 1.00 0.00 C ATOM 637 CG LYS A 58 2.064 -11.442 -4.852 1.00 0.00 C ATOM 638 CD LYS A 58 1.078 -12.565 -4.521 1.00 0.00 C ATOM 639 CE LYS A 58 0.873 -13.451 -5.753 1.00 0.00 C ATOM 640 NZ LYS A 58 -0.249 -12.817 -6.499 1.00 0.00 N ATOM 0 H LYS A 58 0.118 -8.093 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 58 2.401 -9.060 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.264 -10.249 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.251 -10.210 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.766 -11.774 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.651 -11.187 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.457 -13.162 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.125 -12.143 -4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.776 -13.496 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.629 -14.474 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.684 -13.517 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.962 -12.471 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.114 -12.020 -7.060 1.00 0.00 H new ATOM 654 N GLU A 59 2.878 -7.742 -6.743 1.00 0.00 N ATOM 655 CA GLU A 59 3.962 -7.329 -7.688 1.00 0.00 C ATOM 656 C GLU A 59 4.757 -6.176 -7.091 1.00 0.00 C ATOM 657 O GLU A 59 5.971 -6.184 -7.083 1.00 0.00 O ATOM 658 CB GLU A 59 3.239 -6.893 -8.961 1.00 0.00 C ATOM 659 CG GLU A 59 4.228 -6.214 -9.910 1.00 0.00 C ATOM 660 CD GLU A 59 3.634 -6.180 -11.320 1.00 0.00 C ATOM 661 OE1 GLU A 59 3.626 -7.215 -11.963 1.00 0.00 O ATOM 662 OE2 GLU A 59 3.194 -5.118 -11.731 1.00 0.00 O ATOM 0 H GLU A 59 1.961 -7.338 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 59 4.670 -8.133 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.788 -7.757 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.429 -6.207 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.441 -5.201 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.175 -6.754 -9.915 1.00 0.00 H new ATOM 669 N LEU A 60 4.090 -5.192 -6.570 1.00 0.00 N ATOM 670 CA LEU A 60 4.826 -4.069 -5.954 1.00 0.00 C ATOM 671 C LEU A 60 5.669 -4.638 -4.814 1.00 0.00 C ATOM 672 O LEU A 60 6.881 -4.578 -4.836 1.00 0.00 O ATOM 673 CB LEU A 60 3.721 -3.102 -5.472 1.00 0.00 C ATOM 674 CG LEU A 60 3.928 -2.668 -4.013 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.354 -2.156 -3.815 1.00 0.00 C ATOM 676 CD2 LEU A 60 2.938 -1.553 -3.677 1.00 0.00 C ATOM 0 H LEU A 60 3.073 -5.119 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 60 5.512 -3.543 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.706 -2.221 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.749 -3.585 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 60 3.763 -3.523 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.490 -1.851 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.062 -2.949 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.528 -1.302 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.080 -1.240 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.108 -0.704 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.920 -1.919 -3.809 1.00 0.00 H new ATOM 688 N ILE A 61 5.042 -5.198 -3.824 1.00 0.00 N ATOM 689 CA ILE A 61 5.821 -5.771 -2.697 1.00 0.00 C ATOM 690 C ILE A 61 6.932 -6.637 -3.260 1.00 0.00 C ATOM 691 O ILE A 61 7.986 -6.779 -2.672 1.00 0.00 O ATOM 692 CB ILE A 61 4.827 -6.614 -1.930 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.265 -7.678 -2.875 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.709 -5.713 -1.410 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.214 -8.880 -2.897 1.00 0.00 C ATOM 0 H ILE A 61 4.029 -5.284 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 61 6.280 -5.013 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 61 5.305 -7.103 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.273 -7.988 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.154 -7.268 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.987 -6.312 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.131 -4.953 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.210 -5.230 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.820 -9.643 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.196 -8.562 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.302 -9.292 -1.892 1.00 0.00 H new ATOM 707 N ASN A 62 6.713 -7.205 -4.414 1.00 0.00 N ATOM 708 CA ASN A 62 7.771 -8.040 -5.026 1.00 0.00 C ATOM 709 C ASN A 62 9.107 -7.296 -4.960 1.00 0.00 C ATOM 710 O ASN A 62 10.152 -7.897 -5.098 1.00 0.00 O ATOM 711 CB ASN A 62 7.338 -8.246 -6.476 1.00 0.00 C ATOM 712 CG ASN A 62 7.945 -9.544 -7.010 1.00 0.00 C ATOM 713 OD1 ASN A 62 8.054 -10.518 -6.290 1.00 0.00 O ATOM 714 ND2 ASN A 62 8.348 -9.601 -8.250 1.00 0.00 N ATOM 0 H ASN A 62 5.851 -7.125 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 62 7.902 -8.993 -4.513 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.251 -8.287 -6.540 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.661 -7.403 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.754 -10.462 -8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.257 -8.784 -8.854 1.00 0.00 H new ATOM 721 N ILE A 63 9.089 -5.993 -4.749 1.00 0.00 N ATOM 722 CA ILE A 63 10.367 -5.242 -4.672 1.00 0.00 C ATOM 723 C ILE A 63 11.331 -5.920 -3.692 1.00 0.00 C ATOM 724 O ILE A 63 11.873 -6.971 -3.968 1.00 0.00 O ATOM 725 CB ILE A 63 9.961 -3.840 -4.208 1.00 0.00 C ATOM 726 CG1 ILE A 63 8.940 -3.905 -3.047 1.00 0.00 C ATOM 727 CG2 ILE A 63 9.354 -3.090 -5.398 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.205 -2.569 -2.935 1.00 0.00 C ATOM 0 H ILE A 63 8.245 -5.432 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 63 10.898 -5.207 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 63 10.844 -3.318 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.227 -4.711 -3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.452 -4.130 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.059 -2.089 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.092 -3.018 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.479 -3.629 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.486 -2.617 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.924 -1.773 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.680 -2.363 -3.868 1.00 0.00 H new ATOM 740 N LYS A 64 11.555 -5.346 -2.553 1.00 0.00 N ATOM 741 CA LYS A 64 12.476 -5.993 -1.578 1.00 0.00 C ATOM 742 C LYS A 64 12.097 -7.472 -1.456 1.00 0.00 C ATOM 743 O LYS A 64 12.907 -8.309 -1.111 1.00 0.00 O ATOM 744 CB LYS A 64 12.253 -5.239 -0.258 1.00 0.00 C ATOM 745 CG LYS A 64 12.468 -6.172 0.940 1.00 0.00 C ATOM 746 CD LYS A 64 13.876 -6.767 0.883 1.00 0.00 C ATOM 747 CE LYS A 64 13.821 -8.240 1.295 1.00 0.00 C ATOM 748 NZ LYS A 64 13.889 -8.227 2.782 1.00 0.00 N ATOM 0 H LYS A 64 11.146 -4.462 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 64 13.525 -5.951 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.939 -4.394 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.242 -4.832 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.333 -5.622 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.725 -6.969 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.282 -6.674 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.543 -6.217 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.903 -8.713 0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.652 -8.801 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.856 -9.203 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.776 -7.777 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.082 -7.692 3.162 1.00 0.00 H new ATOM 762 N GLY A 65 10.864 -7.789 -1.745 1.00 0.00 N ATOM 763 CA GLY A 65 10.417 -9.204 -1.658 1.00 0.00 C ATOM 764 C GLY A 65 9.322 -9.327 -0.600 1.00 0.00 C ATOM 765 O GLY A 65 9.182 -10.350 0.039 1.00 0.00 O ATOM 0 H GLY A 65 10.147 -7.125 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.042 -9.538 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.259 -9.848 -1.402 1.00 0.00 H new ATOM 769 N ILE A 66 8.545 -8.295 -0.394 1.00 0.00 N ATOM 770 CA ILE A 66 7.479 -8.388 0.636 1.00 0.00 C ATOM 771 C ILE A 66 6.221 -9.040 0.049 1.00 0.00 C ATOM 772 O ILE A 66 6.296 -9.941 -0.762 1.00 0.00 O ATOM 773 CB ILE A 66 7.159 -6.958 1.105 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.339 -5.998 0.882 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.862 -7.015 2.596 1.00 0.00 C ATOM 776 CD1 ILE A 66 7.996 -5.010 -0.237 1.00 0.00 C ATOM 0 H ILE A 66 8.604 -7.405 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 66 7.815 -9.002 1.471 1.00 0.00 H new ATOM 0 HB ILE A 66 6.312 -6.586 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.560 -5.458 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.235 -6.562 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.631 -6.014 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.010 -7.671 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.733 -7.401 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.834 -4.331 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.797 -5.558 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.112 -4.437 0.042 1.00 0.00 H new ATOM 788 N SER A 67 5.070 -8.585 0.467 1.00 0.00 N ATOM 789 CA SER A 67 3.784 -9.156 -0.036 1.00 0.00 C ATOM 790 C SER A 67 2.645 -8.506 0.742 1.00 0.00 C ATOM 791 O SER A 67 2.675 -7.323 1.028 1.00 0.00 O ATOM 792 CB SER A 67 3.854 -10.651 0.279 1.00 0.00 C ATOM 793 OG SER A 67 2.639 -11.270 -0.116 1.00 0.00 O ATOM 0 H SER A 67 4.964 -7.831 1.146 1.00 0.00 H new ATOM 0 HA SER A 67 3.623 -8.985 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.695 -11.106 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.023 -10.802 1.345 1.00 0.00 H new ATOM 0 HG SER A 67 2.681 -12.229 0.083 1.00 0.00 H new ATOM 799 N GLU A 68 1.661 -9.262 1.131 1.00 0.00 N ATOM 800 CA GLU A 68 0.570 -8.657 1.930 1.00 0.00 C ATOM 801 C GLU A 68 1.204 -7.960 3.131 1.00 0.00 C ATOM 802 O GLU A 68 0.631 -7.071 3.730 1.00 0.00 O ATOM 803 CB GLU A 68 -0.304 -9.828 2.373 1.00 0.00 C ATOM 804 CG GLU A 68 -1.545 -9.894 1.483 1.00 0.00 C ATOM 805 CD GLU A 68 -2.403 -11.093 1.884 1.00 0.00 C ATOM 806 OE1 GLU A 68 -2.138 -11.662 2.931 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.311 -11.424 1.139 1.00 0.00 O ATOM 0 H GLU A 68 1.566 -10.258 0.933 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.021 -7.924 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.256 -10.761 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.596 -9.705 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.122 -8.974 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.250 -9.979 0.437 1.00 0.00 H new ATOM 814 N ALA A 69 2.400 -8.359 3.477 1.00 0.00 N ATOM 815 CA ALA A 69 3.099 -7.728 4.625 1.00 0.00 C ATOM 816 C ALA A 69 2.928 -6.211 4.572 1.00 0.00 C ATOM 817 O ALA A 69 2.120 -5.640 5.277 1.00 0.00 O ATOM 818 CB ALA A 69 4.568 -8.115 4.452 1.00 0.00 C ATOM 0 H ALA A 69 2.922 -9.099 3.008 1.00 0.00 H new ATOM 0 HA ALA A 69 2.704 -8.057 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.155 -7.686 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.663 -9.201 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.935 -7.735 3.499 1.00 0.00 H new ATOM 824 N LYS A 70 3.682 -5.557 3.738 1.00 0.00 N ATOM 825 CA LYS A 70 3.575 -4.081 3.626 1.00 0.00 C ATOM 826 C LYS A 70 2.290 -3.708 2.884 1.00 0.00 C ATOM 827 O LYS A 70 1.456 -2.982 3.389 1.00 0.00 O ATOM 828 CB LYS A 70 4.800 -3.672 2.811 1.00 0.00 C ATOM 829 CG LYS A 70 6.010 -3.507 3.733 1.00 0.00 C ATOM 830 CD LYS A 70 6.180 -4.747 4.616 1.00 0.00 C ATOM 831 CE LYS A 70 5.404 -4.563 5.921 1.00 0.00 C ATOM 832 NZ LYS A 70 6.206 -5.283 6.950 1.00 0.00 N ATOM 0 H LYS A 70 4.374 -5.987 3.124 1.00 0.00 H new ATOM 0 HA LYS A 70 3.540 -3.584 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.011 -4.426 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.602 -2.738 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.910 -3.350 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.882 -2.623 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.821 -5.631 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.236 -4.910 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.297 -3.508 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.398 -4.976 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.076 -4.825 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.890 -6.272 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.212 -5.255 6.688 1.00 0.00 H new ATOM 846 N ALA A 71 2.128 -4.198 1.686 1.00 0.00 N ATOM 847 CA ALA A 71 0.899 -3.868 0.906 1.00 0.00 C ATOM 848 C ALA A 71 -0.350 -3.991 1.784 1.00 0.00 C ATOM 849 O ALA A 71 -0.921 -3.006 2.208 1.00 0.00 O ATOM 850 CB ALA A 71 0.851 -4.903 -0.217 1.00 0.00 C ATOM 0 H ALA A 71 2.791 -4.812 1.213 1.00 0.00 H new ATOM 0 HA ALA A 71 0.923 -2.846 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.028 -4.727 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.749 -4.818 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.797 -5.903 0.212 1.00 0.00 H new ATOM 856 N ASP A 72 -0.782 -5.195 2.044 1.00 0.00 N ATOM 857 CA ASP A 72 -2.003 -5.394 2.881 1.00 0.00 C ATOM 858 C ASP A 72 -2.028 -4.398 4.040 1.00 0.00 C ATOM 859 O ASP A 72 -2.993 -3.687 4.238 1.00 0.00 O ATOM 860 CB ASP A 72 -1.903 -6.828 3.406 1.00 0.00 C ATOM 861 CG ASP A 72 -3.309 -7.392 3.619 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.003 -6.886 4.487 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.669 -8.321 2.914 1.00 0.00 O ATOM 0 H ASP A 72 -0.341 -6.053 1.712 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.917 -5.233 2.310 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.354 -7.449 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.347 -6.846 4.343 1.00 0.00 H new ATOM 868 N LYS A 73 -0.978 -4.336 4.808 1.00 0.00 N ATOM 869 CA LYS A 73 -0.953 -3.379 5.948 1.00 0.00 C ATOM 870 C LYS A 73 -1.486 -2.014 5.502 1.00 0.00 C ATOM 871 O LYS A 73 -2.025 -1.259 6.288 1.00 0.00 O ATOM 872 CB LYS A 73 0.521 -3.286 6.342 1.00 0.00 C ATOM 873 CG LYS A 73 0.714 -2.156 7.355 1.00 0.00 C ATOM 874 CD LYS A 73 0.427 -2.680 8.763 1.00 0.00 C ATOM 875 CE LYS A 73 -0.713 -1.873 9.390 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.389 -2.823 10.316 1.00 0.00 N ATOM 0 H LYS A 73 -0.138 -4.904 4.697 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.578 -3.701 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.853 -4.232 6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.133 -3.104 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.733 -1.773 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.048 -1.326 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.158 -3.736 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.322 -2.603 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.333 -1.002 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.402 -1.505 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.184 -2.344 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.745 -3.638 9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.711 -3.151 11.033 1.00 0.00 H new ATOM 890 N ILE A 74 -1.339 -1.690 4.245 1.00 0.00 N ATOM 891 CA ILE A 74 -1.836 -0.372 3.753 1.00 0.00 C ATOM 892 C ILE A 74 -3.338 -0.458 3.447 1.00 0.00 C ATOM 893 O ILE A 74 -4.095 0.441 3.754 1.00 0.00 O ATOM 894 CB ILE A 74 -0.998 -0.080 2.491 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.516 1.372 2.533 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.819 -0.299 1.213 1.00 0.00 C ATOM 897 CD1 ILE A 74 0.505 1.541 3.658 1.00 0.00 C ATOM 0 H ILE A 74 -0.897 -2.279 3.539 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.727 0.427 4.486 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.150 -0.765 2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.068 1.645 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.361 2.042 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.200 -0.085 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.158 -1.334 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.683 0.366 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.847 2.576 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.042 1.286 4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.355 0.882 3.480 1.00 0.00 H new ATOM 909 N LEU A 75 -3.769 -1.532 2.844 1.00 0.00 N ATOM 910 CA LEU A 75 -5.219 -1.675 2.519 1.00 0.00 C ATOM 911 C LEU A 75 -6.048 -1.708 3.806 1.00 0.00 C ATOM 912 O LEU A 75 -7.245 -1.502 3.791 1.00 0.00 O ATOM 913 CB LEU A 75 -5.334 -3.006 1.775 1.00 0.00 C ATOM 914 CG LEU A 75 -5.149 -2.770 0.273 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.665 -2.870 -0.088 1.00 0.00 C ATOM 916 CD2 LEU A 75 -5.933 -3.823 -0.517 1.00 0.00 C ATOM 0 H LEU A 75 -3.181 -2.317 2.562 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.590 -0.842 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.581 -3.705 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.307 -3.458 1.966 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.519 -1.776 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.539 -2.701 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.104 -2.118 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.294 -3.862 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.799 -3.651 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.567 -4.817 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.992 -3.751 -0.268 1.00 0.00 H new ATOM 928 N ALA A 76 -5.420 -1.967 4.921 1.00 0.00 N ATOM 929 CA ALA A 76 -6.174 -2.014 6.207 1.00 0.00 C ATOM 930 C ALA A 76 -6.296 -0.609 6.802 1.00 0.00 C ATOM 931 O ALA A 76 -7.375 -0.152 7.121 1.00 0.00 O ATOM 932 CB ALA A 76 -5.341 -2.913 7.122 1.00 0.00 C ATOM 0 H ALA A 76 -4.419 -2.148 4.997 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.188 -2.392 6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.831 -2.998 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.248 -3.902 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.349 -2.480 7.253 1.00 0.00 H new ATOM 938 N GLU A 77 -5.197 0.079 6.958 1.00 0.00 N ATOM 939 CA GLU A 77 -5.254 1.452 7.537 1.00 0.00 C ATOM 940 C GLU A 77 -5.786 2.446 6.501 1.00 0.00 C ATOM 941 O GLU A 77 -6.285 3.502 6.838 1.00 0.00 O ATOM 942 CB GLU A 77 -3.808 1.789 7.905 1.00 0.00 C ATOM 943 CG GLU A 77 -3.226 0.675 8.778 1.00 0.00 C ATOM 944 CD GLU A 77 -2.883 1.237 10.159 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.198 2.244 10.212 1.00 0.00 O ATOM 946 OE2 GLU A 77 -3.310 0.651 11.138 1.00 0.00 O ATOM 0 H GLU A 77 -4.264 -0.250 6.710 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.919 1.506 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.210 1.906 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.770 2.739 8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.944 -0.140 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.333 0.260 8.310 1.00 0.00 H new ATOM 953 N ALA A 78 -5.675 2.124 5.242 1.00 0.00 N ATOM 954 CA ALA A 78 -6.164 3.056 4.184 1.00 0.00 C ATOM 955 C ALA A 78 -7.681 2.936 4.007 1.00 0.00 C ATOM 956 O ALA A 78 -8.377 3.923 3.871 1.00 0.00 O ATOM 957 CB ALA A 78 -5.446 2.614 2.909 1.00 0.00 C ATOM 0 H ALA A 78 -5.266 1.255 4.898 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.962 4.097 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.752 3.252 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.368 2.696 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.705 1.579 2.686 1.00 0.00 H new ATOM 963 N ALA A 79 -8.196 1.739 3.995 1.00 0.00 N ATOM 964 CA ALA A 79 -9.666 1.563 3.810 1.00 0.00 C ATOM 965 C ALA A 79 -10.421 1.844 5.114 1.00 0.00 C ATOM 966 O ALA A 79 -11.622 2.036 5.113 1.00 0.00 O ATOM 967 CB ALA A 79 -9.837 0.100 3.399 1.00 0.00 C ATOM 0 H ALA A 79 -7.665 0.875 4.105 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.067 2.253 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.895 -0.113 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.289 -0.085 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.449 -0.547 4.186 1.00 0.00 H new ATOM 973 N LYS A 80 -9.741 1.856 6.228 1.00 0.00 N ATOM 974 CA LYS A 80 -10.446 2.110 7.519 1.00 0.00 C ATOM 975 C LYS A 80 -10.030 3.454 8.128 1.00 0.00 C ATOM 976 O LYS A 80 -10.509 3.837 9.177 1.00 0.00 O ATOM 977 CB LYS A 80 -10.022 0.960 8.432 1.00 0.00 C ATOM 978 CG LYS A 80 -11.264 0.215 8.926 1.00 0.00 C ATOM 979 CD LYS A 80 -12.089 1.136 9.828 1.00 0.00 C ATOM 980 CE LYS A 80 -13.342 0.397 10.305 1.00 0.00 C ATOM 981 NZ LYS A 80 -13.166 0.252 11.776 1.00 0.00 N ATOM 0 H LYS A 80 -8.735 1.702 6.302 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.526 2.159 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.366 0.277 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.455 1.345 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.865 -0.114 8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.970 -0.680 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.493 1.453 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.371 2.038 9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.246 0.959 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.435 -0.575 9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.986 -0.246 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.302 -0.293 11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.087 1.193 12.211 1.00 0.00 H new ATOM 995 N LEU A 81 -9.147 4.175 7.493 1.00 0.00 N ATOM 996 CA LEU A 81 -8.719 5.485 8.067 1.00 0.00 C ATOM 997 C LEU A 81 -8.902 6.617 7.051 1.00 0.00 C ATOM 998 O LEU A 81 -9.417 7.670 7.371 1.00 0.00 O ATOM 999 CB LEU A 81 -7.241 5.305 8.409 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.833 6.333 9.469 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.719 5.756 10.347 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -6.329 7.604 8.781 1.00 0.00 C ATOM 0 H LEU A 81 -8.706 3.918 6.610 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.313 5.757 8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.063 4.295 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.632 5.429 7.514 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.697 6.571 10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.432 6.490 11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.076 4.852 10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.855 5.515 9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.039 8.335 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.467 7.363 8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.122 8.020 8.159 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.481 6.418 5.832 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.631 7.497 4.811 1.00 0.00 C ATOM 1016 C VAL A 82 -9.516 7.025 3.654 1.00 0.00 C ATOM 1017 O VAL A 82 -9.026 6.680 2.598 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.211 7.775 4.320 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -7.261 8.707 3.106 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.410 8.443 5.440 1.00 0.00 C ATOM 0 H VAL A 82 -8.042 5.560 5.499 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.105 8.388 5.223 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.734 6.837 4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.247 8.904 2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.834 8.235 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.737 9.646 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.396 8.643 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.889 9.381 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.373 7.782 6.306 1.00 0.00 H new ATOM 1030 N PRO A 83 -10.798 7.032 3.898 1.00 0.00 N ATOM 1031 CA PRO A 83 -11.770 6.603 2.866 1.00 0.00 C ATOM 1032 C PRO A 83 -11.943 7.697 1.807 1.00 0.00 C ATOM 1033 O PRO A 83 -11.700 7.485 0.635 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.061 6.403 3.652 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.927 7.279 4.859 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.455 7.431 5.147 1.00 0.00 C ATOM 0 HA PRO A 83 -11.458 5.706 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.931 6.682 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.191 5.359 3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.385 8.252 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.441 6.837 5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.206 8.457 5.417 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.145 6.799 5.979 1.00 0.00 H new ATOM 1044 N MET A 84 -12.364 8.865 2.209 1.00 0.00 N ATOM 1045 CA MET A 84 -12.554 9.969 1.224 1.00 0.00 C ATOM 1046 C MET A 84 -11.844 11.237 1.706 1.00 0.00 C ATOM 1047 O MET A 84 -12.432 12.081 2.355 1.00 0.00 O ATOM 1048 CB MET A 84 -14.066 10.191 1.168 1.00 0.00 C ATOM 1049 CG MET A 84 -14.420 10.991 -0.086 1.00 0.00 C ATOM 1050 SD MET A 84 -15.439 12.415 0.373 1.00 0.00 S ATOM 1051 CE MET A 84 -14.751 13.585 -0.825 1.00 0.00 C ATOM 0 H MET A 84 -12.585 9.103 3.176 1.00 0.00 H new ATOM 0 HA MET A 84 -12.139 9.726 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 84 -14.585 9.232 1.159 1.00 0.00 H new ATOM 0 HB3 MET A 84 -14.399 10.725 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 84 -13.511 11.327 -0.585 1.00 0.00 H new ATOM 0 HG3 MET A 84 -14.957 10.359 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 84 -15.246 14.550 -0.716 1.00 0.00 H new ATOM 0 HE2 MET A 84 -13.682 13.703 -0.646 1.00 0.00 H new ATOM 0 HE3 MET A 84 -14.910 13.207 -1.835 1.00 0.00 H new ATOM 1061 N GLY A 85 -10.585 11.382 1.394 1.00 0.00 N ATOM 1062 CA GLY A 85 -9.846 12.597 1.837 1.00 0.00 C ATOM 1063 C GLY A 85 -8.762 12.940 0.813 1.00 0.00 C ATOM 1064 O GLY A 85 -8.841 14.009 0.233 1.00 0.00 O ATOM 0 H GLY A 85 -10.038 10.713 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.535 13.434 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.396 12.425 2.815 1.00 0.00 H new TER 1068 GLY A 85