USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= -9.79! C(o=-10!,f=-28!) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.508 K(o=-10,f=-12!) USER MOD Single : A 1 ARG N :NH3+ 141:sc= 0.0163 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0318 USER MOD Single : A 11 THR OG1 : rot -39:sc= 1.16 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -28:sc= 0.132 USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= -1.89 (180deg=-3.99!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 35 TYR OH : rot 180:sc= -2.31! USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= -0.329 (180deg=-2.17!) USER MOD Single : A 43 ASN : amide:sc= -1.79! C(o=-1.8!,f=-5.7!) USER MOD Single : A 44 ASN : amide:sc= -9.14! C(o=-9.1!,f=-22!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 120:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.132 -6.123 5.015 1.00 0.00 N ATOM 2 CA ARG A 1 12.820 -5.539 4.612 1.00 0.00 C ATOM 3 C ARG A 1 11.718 -6.601 4.708 1.00 0.00 C ATOM 4 O ARG A 1 11.942 -7.761 4.427 1.00 0.00 O ATOM 5 CB ARG A 1 13.029 -5.068 3.167 1.00 0.00 C ATOM 6 CG ARG A 1 11.699 -5.051 2.402 1.00 0.00 C ATOM 7 CD ARG A 1 11.945 -4.583 0.960 1.00 0.00 C ATOM 8 NE ARG A 1 12.898 -3.443 1.074 1.00 0.00 N ATOM 9 CZ ARG A 1 14.137 -3.587 0.688 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.403 -4.154 -0.457 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.110 -3.161 1.448 1.00 0.00 N ATOM 0 H1 ARG A 1 14.882 -5.751 4.397 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.338 -5.867 6.002 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.093 -7.159 4.927 1.00 0.00 H new ATOM 0 HA ARG A 1 12.506 -4.718 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.468 -4.070 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.735 -5.728 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.254 -6.046 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.991 -4.385 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.363 -5.385 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.015 -4.272 0.483 1.00 0.00 H new ATOM 0 HE ARG A 1 12.582 -2.550 1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.643 -4.485 -1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.371 -4.266 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.902 -2.716 2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.078 -3.273 1.148 1.00 0.00 H new ATOM 27 N PRO A 2 10.564 -6.149 5.109 1.00 0.00 N ATOM 28 CA PRO A 2 9.386 -7.047 5.260 1.00 0.00 C ATOM 29 C PRO A 2 8.914 -7.577 3.912 1.00 0.00 C ATOM 30 O PRO A 2 9.129 -6.974 2.880 1.00 0.00 O ATOM 31 CB PRO A 2 8.325 -6.143 5.880 1.00 0.00 C ATOM 32 CG PRO A 2 8.738 -4.759 5.498 1.00 0.00 C ATOM 33 CD PRO A 2 10.242 -4.764 5.453 1.00 0.00 C ATOM 0 HA PRO A 2 9.608 -7.928 5.862 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.331 -6.379 5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.288 -6.261 6.963 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.321 -4.482 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.373 -4.031 6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.624 -4.065 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.674 -4.477 6.412 1.00 0.00 H new ATOM 41 N ASP A 3 8.260 -8.703 3.921 1.00 0.00 N ATOM 42 CA ASP A 3 7.756 -9.278 2.646 1.00 0.00 C ATOM 43 C ASP A 3 6.513 -8.513 2.189 1.00 0.00 C ATOM 44 O ASP A 3 6.245 -8.400 1.011 1.00 0.00 O ATOM 45 CB ASP A 3 7.409 -10.736 2.963 1.00 0.00 C ATOM 46 CG ASP A 3 6.556 -10.805 4.233 1.00 0.00 C ATOM 47 OD1 ASP A 3 6.147 -9.758 4.705 1.00 0.00 O ATOM 48 OD2 ASP A 3 6.329 -11.904 4.712 1.00 0.00 O ATOM 0 H ASP A 3 8.053 -9.250 4.757 1.00 0.00 H new ATOM 0 HA ASP A 3 8.490 -9.210 1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.869 -11.180 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.322 -11.316 3.096 1.00 0.00 H new ATOM 53 N PHE A 4 5.752 -7.975 3.110 1.00 0.00 N ATOM 54 CA PHE A 4 4.532 -7.215 2.693 1.00 0.00 C ATOM 55 C PHE A 4 4.945 -5.939 1.965 1.00 0.00 C ATOM 56 O PHE A 4 4.162 -5.318 1.275 1.00 0.00 O ATOM 57 CB PHE A 4 3.758 -6.896 3.979 1.00 0.00 C ATOM 58 CG PHE A 4 4.426 -5.774 4.742 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.367 -4.455 4.265 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.093 -6.051 5.941 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.975 -3.426 4.985 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.702 -5.016 6.658 1.00 0.00 C ATOM 63 CZ PHE A 4 5.640 -3.703 6.179 1.00 0.00 C ATOM 0 H PHE A 4 5.918 -8.027 4.115 1.00 0.00 H new ATOM 0 HA PHE A 4 3.909 -7.790 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.734 -6.615 3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.703 -7.786 4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.851 -4.237 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.137 -7.064 6.313 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.930 -2.412 4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.220 -5.230 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.108 -2.903 6.734 1.00 0.00 H new ATOM 73 N CYS A 5 6.179 -5.553 2.112 1.00 0.00 N ATOM 74 CA CYS A 5 6.669 -4.328 1.434 1.00 0.00 C ATOM 75 C CYS A 5 6.958 -4.632 -0.035 1.00 0.00 C ATOM 76 O CYS A 5 6.827 -3.782 -0.894 1.00 0.00 O ATOM 77 CB CYS A 5 7.946 -3.969 2.193 1.00 0.00 C ATOM 78 SG CYS A 5 8.927 -2.793 1.235 1.00 0.00 S ATOM 0 H CYS A 5 6.874 -6.039 2.678 1.00 0.00 H new ATOM 0 HA CYS A 5 5.949 -3.509 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.694 -3.539 3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.529 -4.869 2.386 1.00 0.00 H new ATOM 83 N LEU A 6 7.327 -5.845 -0.335 1.00 0.00 N ATOM 84 CA LEU A 6 7.605 -6.212 -1.754 1.00 0.00 C ATOM 85 C LEU A 6 6.361 -6.840 -2.374 1.00 0.00 C ATOM 86 O LEU A 6 6.292 -7.070 -3.566 1.00 0.00 O ATOM 87 CB LEU A 6 8.742 -7.228 -1.689 1.00 0.00 C ATOM 88 CG LEU A 6 9.846 -6.682 -0.790 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.901 -7.765 -0.560 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.493 -5.471 -1.468 1.00 0.00 C ATOM 0 H LEU A 6 7.449 -6.600 0.340 1.00 0.00 H new ATOM 0 HA LEU A 6 7.872 -5.349 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.376 -8.178 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.132 -7.421 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 6 9.424 -6.382 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.690 -7.374 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.438 -8.628 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.328 -8.066 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.283 -5.076 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.917 -5.773 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.740 -4.700 -1.632 1.00 0.00 H new ATOM 102 N GLU A 7 5.375 -7.117 -1.570 1.00 0.00 N ATOM 103 CA GLU A 7 4.126 -7.730 -2.103 1.00 0.00 C ATOM 104 C GLU A 7 3.303 -6.675 -2.844 1.00 0.00 C ATOM 105 O GLU A 7 3.494 -5.491 -2.652 1.00 0.00 O ATOM 106 CB GLU A 7 3.375 -8.232 -0.871 1.00 0.00 C ATOM 107 CG GLU A 7 3.783 -9.677 -0.578 1.00 0.00 C ATOM 108 CD GLU A 7 3.235 -10.593 -1.674 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.809 -10.604 -2.750 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.253 -11.269 -1.417 1.00 0.00 O ATOM 0 H GLU A 7 5.379 -6.945 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 7 4.325 -8.535 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.599 -7.599 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.300 -8.173 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.869 -9.757 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.398 -9.985 0.394 1.00 0.00 H new ATOM 117 N PRO A 8 2.411 -7.143 -3.671 1.00 0.00 N ATOM 118 CA PRO A 8 1.547 -6.228 -4.452 1.00 0.00 C ATOM 119 C PRO A 8 0.483 -5.602 -3.547 1.00 0.00 C ATOM 120 O PRO A 8 0.212 -6.100 -2.473 1.00 0.00 O ATOM 121 CB PRO A 8 0.906 -7.143 -5.493 1.00 0.00 C ATOM 122 CG PRO A 8 0.939 -8.509 -4.883 1.00 0.00 C ATOM 123 CD PRO A 8 2.125 -8.554 -3.953 1.00 0.00 C ATOM 0 HA PRO A 8 2.093 -5.398 -4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.116 -6.834 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.457 -7.117 -6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.016 -8.710 -4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.027 -9.273 -5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.896 -9.105 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.978 -9.049 -4.418 1.00 0.00 H new ATOM 131 N PRO A 9 -0.090 -4.530 -4.020 1.00 0.00 N ATOM 132 CA PRO A 9 -1.141 -3.828 -3.245 1.00 0.00 C ATOM 133 C PRO A 9 -2.420 -4.670 -3.198 1.00 0.00 C ATOM 134 O PRO A 9 -2.526 -5.690 -3.851 1.00 0.00 O ATOM 135 CB PRO A 9 -1.348 -2.528 -4.019 1.00 0.00 C ATOM 136 CG PRO A 9 -0.893 -2.826 -5.411 1.00 0.00 C ATOM 137 CD PRO A 9 0.180 -3.880 -5.307 1.00 0.00 C ATOM 0 HA PRO A 9 -0.869 -3.649 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.394 -2.222 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.771 -1.713 -3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.724 -3.180 -6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.506 -1.927 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.125 -4.590 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.177 -3.440 -5.331 1.00 0.00 H new ATOM 145 N TYR A 10 -3.384 -4.266 -2.416 1.00 0.00 N ATOM 146 CA TYR A 10 -4.647 -5.059 -2.316 1.00 0.00 C ATOM 147 C TYR A 10 -5.872 -4.154 -2.425 1.00 0.00 C ATOM 148 O TYR A 10 -6.347 -3.612 -1.448 1.00 0.00 O ATOM 149 CB TYR A 10 -4.586 -5.709 -0.933 1.00 0.00 C ATOM 150 CG TYR A 10 -5.619 -6.806 -0.846 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.423 -8.009 -1.535 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.775 -6.618 -0.080 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.382 -9.025 -1.456 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.735 -7.634 -0.002 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.540 -8.837 -0.690 1.00 0.00 C ATOM 156 OH TYR A 10 -8.487 -9.838 -0.614 1.00 0.00 O ATOM 0 H TYR A 10 -3.354 -3.423 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.734 -5.791 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.591 -6.117 -0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.767 -4.962 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.532 -8.153 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.926 -5.690 0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.230 -9.954 -1.985 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.627 -7.489 0.590 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.227 -9.546 -0.041 1.00 0.00 H new ATOM 166 N THR A 11 -6.403 -4.016 -3.607 1.00 0.00 N ATOM 167 CA THR A 11 -7.618 -3.178 -3.777 1.00 0.00 C ATOM 168 C THR A 11 -8.727 -3.763 -2.905 1.00 0.00 C ATOM 169 O THR A 11 -9.666 -3.089 -2.531 1.00 0.00 O ATOM 170 CB THR A 11 -7.973 -3.275 -5.265 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.211 -2.321 -5.993 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.465 -2.991 -5.468 1.00 0.00 C ATOM 0 H THR A 11 -6.048 -4.447 -4.460 1.00 0.00 H new ATOM 0 HA THR A 11 -7.474 -2.138 -3.483 1.00 0.00 H new ATOM 0 HB THR A 11 -7.748 -4.280 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.143 -1.492 -5.475 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.708 -3.062 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.053 -3.720 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.697 -1.988 -5.109 1.00 0.00 H new ATOM 180 N GLY A 12 -8.618 -5.024 -2.584 1.00 0.00 N ATOM 181 CA GLY A 12 -9.659 -5.672 -1.736 1.00 0.00 C ATOM 182 C GLY A 12 -10.950 -5.831 -2.541 1.00 0.00 C ATOM 183 O GLY A 12 -11.291 -4.987 -3.346 1.00 0.00 O ATOM 0 H GLY A 12 -7.853 -5.633 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.309 -6.646 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.845 -5.070 -0.847 1.00 0.00 H new ATOM 187 N PRO A 13 -11.626 -6.920 -2.293 1.00 0.00 N ATOM 188 CA PRO A 13 -12.897 -7.208 -3.000 1.00 0.00 C ATOM 189 C PRO A 13 -14.023 -6.329 -2.450 1.00 0.00 C ATOM 190 O PRO A 13 -15.008 -6.818 -1.930 1.00 0.00 O ATOM 191 CB PRO A 13 -13.156 -8.678 -2.685 1.00 0.00 C ATOM 192 CG PRO A 13 -12.430 -8.937 -1.403 1.00 0.00 C ATOM 193 CD PRO A 13 -11.270 -7.975 -1.341 1.00 0.00 C ATOM 0 HA PRO A 13 -12.848 -7.008 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.223 -8.877 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.788 -9.323 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.094 -8.794 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.077 -9.967 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.137 -7.576 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.334 -8.461 -1.617 1.00 0.00 H new ATOM 201 N CYS A 14 -13.888 -5.035 -2.557 1.00 0.00 N ATOM 202 CA CYS A 14 -14.953 -4.130 -2.039 1.00 0.00 C ATOM 203 C CYS A 14 -15.409 -3.167 -3.136 1.00 0.00 C ATOM 204 O CYS A 14 -15.062 -3.316 -4.292 1.00 0.00 O ATOM 205 CB CYS A 14 -14.299 -3.362 -0.891 1.00 0.00 C ATOM 206 SG CYS A 14 -14.650 -4.202 0.673 1.00 0.00 S ATOM 0 H CYS A 14 -13.087 -4.566 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.836 -4.679 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.222 -3.298 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.678 -2.340 -0.860 1.00 0.00 H new ATOM 211 N LYS A 15 -16.187 -2.180 -2.786 1.00 0.00 N ATOM 212 CA LYS A 15 -16.665 -1.211 -3.813 1.00 0.00 C ATOM 213 C LYS A 15 -15.922 0.122 -3.674 1.00 0.00 C ATOM 214 O LYS A 15 -15.692 0.817 -4.643 1.00 0.00 O ATOM 215 CB LYS A 15 -18.155 -1.029 -3.521 1.00 0.00 C ATOM 216 CG LYS A 15 -18.973 -1.582 -4.689 1.00 0.00 C ATOM 217 CD LYS A 15 -20.335 -2.062 -4.179 1.00 0.00 C ATOM 218 CE LYS A 15 -20.821 -3.227 -5.044 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.486 -4.160 -4.092 1.00 0.00 N ATOM 0 H LYS A 15 -16.512 -2.003 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.488 -1.566 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.422 -1.546 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.381 0.027 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.108 -0.812 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.439 -2.406 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.256 -2.376 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.056 -1.245 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.515 -2.886 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.990 -3.712 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.847 -4.986 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.800 -4.473 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.277 -3.673 -3.624 1.00 0.00 H new ATOM 233 N ALA A 16 -15.541 0.483 -2.479 1.00 0.00 N ATOM 234 CA ALA A 16 -14.814 1.770 -2.287 1.00 0.00 C ATOM 235 C ALA A 16 -13.534 1.784 -3.130 1.00 0.00 C ATOM 236 O ALA A 16 -12.984 0.751 -3.460 1.00 0.00 O ATOM 237 CB ALA A 16 -14.477 1.817 -0.795 1.00 0.00 C ATOM 0 H ALA A 16 -15.701 -0.057 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.407 2.631 -2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.939 2.738 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.398 1.785 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.854 0.961 -0.536 1.00 0.00 H new ATOM 243 N ARG A 17 -13.058 2.947 -3.483 1.00 0.00 N ATOM 244 CA ARG A 17 -11.816 3.028 -4.305 1.00 0.00 C ATOM 245 C ARG A 17 -10.976 4.228 -3.863 1.00 0.00 C ATOM 246 O ARG A 17 -10.960 5.259 -4.507 1.00 0.00 O ATOM 247 CB ARG A 17 -12.298 3.208 -5.745 1.00 0.00 C ATOM 248 CG ARG A 17 -13.329 4.337 -5.801 1.00 0.00 C ATOM 249 CD ARG A 17 -13.412 4.880 -7.229 1.00 0.00 C ATOM 250 NE ARG A 17 -14.575 5.808 -7.222 1.00 0.00 N ATOM 251 CZ ARG A 17 -14.391 7.088 -7.396 1.00 0.00 C ATOM 252 NH1 ARG A 17 -14.240 7.569 -8.600 1.00 0.00 N ATOM 253 NH2 ARG A 17 -14.352 7.889 -6.367 1.00 0.00 N ATOM 0 H ARG A 17 -13.475 3.845 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.190 2.142 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.455 3.439 -6.396 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.738 2.281 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.305 3.969 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.049 5.134 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.495 5.399 -7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.554 4.075 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.517 5.443 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.266 6.944 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.096 8.570 -8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.465 7.515 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.208 8.889 -6.505 1.00 0.00 H new ATOM 267 N ILE A 18 -10.279 4.102 -2.769 1.00 0.00 N ATOM 268 CA ILE A 18 -9.440 5.235 -2.282 1.00 0.00 C ATOM 269 C ILE A 18 -8.017 5.114 -2.831 1.00 0.00 C ATOM 270 O ILE A 18 -7.587 4.054 -3.241 1.00 0.00 O ATOM 271 CB ILE A 18 -9.435 5.100 -0.758 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.848 4.784 -0.263 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.961 6.412 -0.130 1.00 0.00 C ATOM 274 CD1 ILE A 18 -10.810 4.502 1.240 1.00 0.00 C ATOM 0 H ILE A 18 -10.253 3.263 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.827 6.201 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.761 4.292 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.513 5.622 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.247 3.921 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.958 6.315 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.953 6.638 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.634 7.218 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.816 4.277 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.158 3.650 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.429 5.378 1.765 1.00 0.00 H new ATOM 286 N ILE A 19 -7.281 6.190 -2.836 1.00 0.00 N ATOM 287 CA ILE A 19 -5.884 6.136 -3.353 1.00 0.00 C ATOM 288 C ILE A 19 -4.916 5.845 -2.204 1.00 0.00 C ATOM 289 O ILE A 19 -4.322 6.741 -1.638 1.00 0.00 O ATOM 290 CB ILE A 19 -5.623 7.522 -3.943 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.600 7.780 -5.094 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.188 7.594 -4.471 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.383 6.738 -6.194 1.00 0.00 C ATOM 0 H ILE A 19 -7.586 7.105 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.744 5.351 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.764 8.276 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.627 7.732 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.450 8.783 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.004 8.583 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.490 7.411 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.047 6.839 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.079 6.923 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.360 6.808 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.555 5.741 -5.789 1.00 0.00 H new ATOM 305 N ARG A 20 -4.755 4.597 -1.853 1.00 0.00 N ATOM 306 CA ARG A 20 -3.826 4.249 -0.740 1.00 0.00 C ATOM 307 C ARG A 20 -2.383 4.225 -1.249 1.00 0.00 C ATOM 308 O ARG A 20 -2.126 4.392 -2.425 1.00 0.00 O ATOM 309 CB ARG A 20 -4.255 2.856 -0.279 1.00 0.00 C ATOM 310 CG ARG A 20 -5.436 2.971 0.690 1.00 0.00 C ATOM 311 CD ARG A 20 -5.079 3.933 1.825 1.00 0.00 C ATOM 312 NE ARG A 20 -5.674 5.237 1.422 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.225 6.008 2.318 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.931 5.488 3.283 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.068 7.302 2.248 1.00 0.00 N ATOM 0 H ARG A 20 -5.226 3.804 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.867 4.974 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.536 2.249 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.421 2.351 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.319 3.329 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.683 1.990 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.486 3.590 2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.999 4.013 1.950 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.651 5.528 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.053 4.477 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.361 6.092 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.515 7.709 1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.498 7.907 2.948 1.00 0.00 H new ATOM 329 N TYR A 21 -1.437 4.024 -0.374 1.00 0.00 N ATOM 330 CA TYR A 21 -0.015 3.999 -0.815 1.00 0.00 C ATOM 331 C TYR A 21 0.598 2.616 -0.604 1.00 0.00 C ATOM 332 O TYR A 21 0.266 1.909 0.325 1.00 0.00 O ATOM 333 CB TYR A 21 0.690 5.023 0.074 1.00 0.00 C ATOM 334 CG TYR A 21 0.406 6.416 -0.432 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.235 6.990 -1.401 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.685 7.131 0.072 1.00 0.00 C ATOM 337 CE1 TYR A 21 0.972 8.284 -1.866 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.948 8.424 -0.394 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.119 9.001 -1.362 1.00 0.00 C ATOM 340 OH TYR A 21 -0.379 10.276 -1.822 1.00 0.00 O ATOM 0 H TYR A 21 -1.587 3.876 0.624 1.00 0.00 H new ATOM 0 HA TYR A 21 0.082 4.227 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.347 4.923 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.764 4.838 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.077 6.436 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.324 6.686 0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.611 8.729 -2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.791 8.977 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.172 10.631 -1.370 1.00 0.00 H new ATOM 350 N PHE A 22 1.509 2.239 -1.457 1.00 0.00 N ATOM 351 CA PHE A 22 2.175 0.916 -1.311 1.00 0.00 C ATOM 352 C PHE A 22 3.616 1.020 -1.810 1.00 0.00 C ATOM 353 O PHE A 22 3.949 1.885 -2.594 1.00 0.00 O ATOM 354 CB PHE A 22 1.351 -0.053 -2.163 1.00 0.00 C ATOM 355 CG PHE A 22 1.717 0.083 -3.622 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.037 1.000 -4.432 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.734 -0.713 -4.166 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.374 1.123 -5.786 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.069 -0.592 -5.520 1.00 0.00 C ATOM 360 CZ PHE A 22 2.390 0.326 -6.330 1.00 0.00 C ATOM 0 H PHE A 22 1.822 2.794 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 22 2.220 0.574 -0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.526 -1.077 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.288 0.148 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.253 1.613 -4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.259 -1.420 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.851 1.832 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.851 -1.207 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.649 0.420 -7.374 1.00 0.00 H new ATOM 370 N TYR A 23 4.473 0.161 -1.350 1.00 0.00 N ATOM 371 CA TYR A 23 5.904 0.232 -1.785 1.00 0.00 C ATOM 372 C TYR A 23 6.092 -0.439 -3.149 1.00 0.00 C ATOM 373 O TYR A 23 5.934 -1.635 -3.289 1.00 0.00 O ATOM 374 CB TYR A 23 6.688 -0.525 -0.714 1.00 0.00 C ATOM 375 CG TYR A 23 8.164 -0.438 -1.027 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.838 0.786 -0.908 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.861 -1.579 -1.442 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.204 0.864 -1.204 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.226 -1.501 -1.734 1.00 0.00 C ATOM 380 CZ TYR A 23 10.898 -0.280 -1.617 1.00 0.00 C ATOM 381 OH TYR A 23 12.246 -0.204 -1.904 1.00 0.00 O ATOM 0 H TYR A 23 4.254 -0.588 -0.693 1.00 0.00 H new ATOM 0 HA TYR A 23 6.240 1.263 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.487 -0.101 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.371 -1.567 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.303 1.668 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.343 -2.522 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.723 1.807 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.762 -2.384 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 23 12.465 0.702 -2.206 1.00 0.00 H new ATOM 391 N ASN A 24 6.445 0.318 -4.153 1.00 0.00 N ATOM 392 CA ASN A 24 6.657 -0.286 -5.499 1.00 0.00 C ATOM 393 C ASN A 24 8.056 -0.896 -5.578 1.00 0.00 C ATOM 394 O ASN A 24 8.978 -0.291 -6.085 1.00 0.00 O ATOM 395 CB ASN A 24 6.527 0.876 -6.481 1.00 0.00 C ATOM 396 CG ASN A 24 6.806 0.377 -7.897 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.530 -0.580 -8.084 1.00 0.00 O ATOM 398 ND2 ASN A 24 6.258 0.987 -8.910 1.00 0.00 N ATOM 0 H ASN A 24 6.595 1.325 -4.099 1.00 0.00 H new ATOM 0 HA ASN A 24 5.944 -1.081 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.526 1.304 -6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.227 1.669 -6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.437 0.661 -9.860 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.650 1.791 -8.753 1.00 0.00 H new ATOM 405 N ALA A 25 8.225 -2.088 -5.078 1.00 0.00 N ATOM 406 CA ALA A 25 9.569 -2.725 -5.127 1.00 0.00 C ATOM 407 C ALA A 25 10.179 -2.552 -6.518 1.00 0.00 C ATOM 408 O ALA A 25 11.384 -2.534 -6.681 1.00 0.00 O ATOM 409 CB ALA A 25 9.321 -4.203 -4.821 1.00 0.00 C ATOM 0 H ALA A 25 7.493 -2.647 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 25 10.267 -2.280 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.268 -4.742 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.867 -4.299 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.651 -4.622 -5.571 1.00 0.00 H new ATOM 415 N LYS A 26 9.358 -2.416 -7.523 1.00 0.00 N ATOM 416 CA LYS A 26 9.894 -2.235 -8.902 1.00 0.00 C ATOM 417 C LYS A 26 10.364 -0.790 -9.092 1.00 0.00 C ATOM 418 O LYS A 26 11.190 -0.502 -9.935 1.00 0.00 O ATOM 419 CB LYS A 26 8.723 -2.551 -9.833 1.00 0.00 C ATOM 420 CG LYS A 26 8.117 -3.904 -9.454 1.00 0.00 C ATOM 421 CD LYS A 26 9.201 -4.982 -9.502 1.00 0.00 C ATOM 422 CE LYS A 26 8.644 -6.291 -8.941 1.00 0.00 C ATOM 423 NZ LYS A 26 8.052 -5.922 -7.625 1.00 0.00 N ATOM 0 H LYS A 26 8.341 -2.422 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 26 10.750 -2.879 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.967 -1.769 -9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.063 -2.571 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.684 -3.853 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.308 -4.157 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.538 -5.128 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.069 -4.666 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.894 -6.718 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.430 -7.038 -8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.248 -6.673 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.470 -5.029 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.024 -5.806 -7.727 1.00 0.00 H new ATOM 437 N ALA A 27 9.847 0.122 -8.312 1.00 0.00 N ATOM 438 CA ALA A 27 10.272 1.545 -8.453 1.00 0.00 C ATOM 439 C ALA A 27 11.335 1.886 -7.406 1.00 0.00 C ATOM 440 O ALA A 27 12.150 2.765 -7.600 1.00 0.00 O ATOM 441 CB ALA A 27 9.004 2.364 -8.215 1.00 0.00 C ATOM 0 H ALA A 27 9.152 -0.056 -7.587 1.00 0.00 H new ATOM 0 HA ALA A 27 10.711 1.749 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.235 3.426 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.252 2.094 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.619 2.157 -7.216 1.00 0.00 H new ATOM 447 N GLY A 28 11.329 1.200 -6.296 1.00 0.00 N ATOM 448 CA GLY A 28 12.339 1.490 -5.237 1.00 0.00 C ATOM 449 C GLY A 28 11.704 2.364 -4.151 1.00 0.00 C ATOM 450 O GLY A 28 12.322 2.680 -3.155 1.00 0.00 O ATOM 0 H GLY A 28 10.670 0.453 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.704 0.559 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.200 1.998 -5.670 1.00 0.00 H new ATOM 454 N LEU A 29 10.472 2.754 -4.336 1.00 0.00 N ATOM 455 CA LEU A 29 9.793 3.604 -3.320 1.00 0.00 C ATOM 456 C LEU A 29 8.330 3.180 -3.184 1.00 0.00 C ATOM 457 O LEU A 29 8.004 2.011 -3.248 1.00 0.00 O ATOM 458 CB LEU A 29 9.895 5.030 -3.865 1.00 0.00 C ATOM 459 CG LEU A 29 9.119 5.135 -5.179 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.308 6.432 -5.190 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.103 5.142 -6.352 1.00 0.00 C ATOM 0 H LEU A 29 9.905 2.519 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 29 10.244 3.517 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.496 5.737 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.940 5.294 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 29 8.445 4.283 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.755 6.507 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.608 6.431 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.982 7.283 -5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.551 5.217 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.775 5.995 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.684 4.220 -6.345 1.00 0.00 H new ATOM 473 N CYS A 30 7.450 4.123 -2.998 1.00 0.00 N ATOM 474 CA CYS A 30 6.006 3.777 -2.854 1.00 0.00 C ATOM 475 C CYS A 30 5.171 4.483 -3.923 1.00 0.00 C ATOM 476 O CYS A 30 5.578 5.474 -4.495 1.00 0.00 O ATOM 477 CB CYS A 30 5.614 4.281 -1.465 1.00 0.00 C ATOM 478 SG CYS A 30 6.417 3.267 -0.202 1.00 0.00 S ATOM 0 H CYS A 30 7.666 5.118 -2.939 1.00 0.00 H new ATOM 0 HA CYS A 30 5.833 2.707 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.908 5.324 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.531 4.240 -1.344 1.00 0.00 H new ATOM 483 N GLN A 31 3.999 3.978 -4.186 1.00 0.00 N ATOM 484 CA GLN A 31 3.118 4.614 -5.204 1.00 0.00 C ATOM 485 C GLN A 31 1.663 4.519 -4.744 1.00 0.00 C ATOM 486 O GLN A 31 1.349 3.827 -3.796 1.00 0.00 O ATOM 487 CB GLN A 31 3.333 3.810 -6.486 1.00 0.00 C ATOM 488 CG GLN A 31 4.745 4.067 -7.017 1.00 0.00 C ATOM 489 CD GLN A 31 4.672 4.414 -8.504 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.656 4.881 -8.982 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.713 4.205 -9.263 1.00 0.00 N ATOM 0 H GLN A 31 3.611 3.148 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 31 3.346 5.669 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.195 2.747 -6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.594 4.094 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.211 4.883 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.368 3.185 -6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.566 3.813 -8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.674 4.433 -10.256 1.00 0.00 H new ATOM 500 N THR A 32 0.773 5.209 -5.397 1.00 0.00 N ATOM 501 CA THR A 32 -0.654 5.150 -4.978 1.00 0.00 C ATOM 502 C THR A 32 -1.387 4.044 -5.738 1.00 0.00 C ATOM 503 O THR A 32 -1.129 3.795 -6.898 1.00 0.00 O ATOM 504 CB THR A 32 -1.230 6.521 -5.334 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.651 6.975 -6.551 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.915 7.516 -4.216 1.00 0.00 C ATOM 0 H THR A 32 0.969 5.808 -6.199 1.00 0.00 H new ATOM 0 HA THR A 32 -0.762 4.927 -3.917 1.00 0.00 H new ATOM 0 HB THR A 32 -2.311 6.441 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.020 7.853 -6.782 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.326 8.493 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.359 7.168 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.165 7.598 -4.095 1.00 0.00 H new ATOM 514 N PHE A 33 -2.306 3.386 -5.088 1.00 0.00 N ATOM 515 CA PHE A 33 -3.072 2.300 -5.766 1.00 0.00 C ATOM 516 C PHE A 33 -4.525 2.310 -5.281 1.00 0.00 C ATOM 517 O PHE A 33 -4.861 2.958 -4.309 1.00 0.00 O ATOM 518 CB PHE A 33 -2.357 0.995 -5.386 1.00 0.00 C ATOM 519 CG PHE A 33 -2.777 0.536 -4.007 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.114 1.017 -2.868 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.829 -0.379 -3.868 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.504 0.586 -1.596 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.218 -0.811 -2.593 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.555 -0.328 -1.457 1.00 0.00 C ATOM 0 H PHE A 33 -2.561 3.553 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.104 2.423 -6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.588 0.221 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.278 1.145 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.302 1.721 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.340 -0.751 -4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.994 0.959 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.029 -1.516 -2.486 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.855 -0.661 -0.474 1.00 0.00 H new ATOM 534 N VAL A 34 -5.392 1.611 -5.959 1.00 0.00 N ATOM 535 CA VAL A 34 -6.826 1.599 -5.543 1.00 0.00 C ATOM 536 C VAL A 34 -7.012 0.741 -4.290 1.00 0.00 C ATOM 537 O VAL A 34 -6.588 -0.395 -4.238 1.00 0.00 O ATOM 538 CB VAL A 34 -7.579 0.992 -6.727 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.074 0.925 -6.406 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.362 1.865 -7.966 1.00 0.00 C ATOM 0 H VAL A 34 -5.173 1.048 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.190 2.597 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.206 -0.014 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.609 0.492 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.229 0.305 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.450 1.930 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.898 1.435 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.736 2.870 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.298 1.912 -8.196 1.00 0.00 H new ATOM 550 N TYR A 35 -7.644 1.280 -3.282 1.00 0.00 N ATOM 551 CA TYR A 35 -7.861 0.502 -2.024 1.00 0.00 C ATOM 552 C TYR A 35 -9.356 0.199 -1.843 1.00 0.00 C ATOM 553 O TYR A 35 -10.204 0.981 -2.223 1.00 0.00 O ATOM 554 CB TYR A 35 -7.353 1.425 -0.915 1.00 0.00 C ATOM 555 CG TYR A 35 -7.622 0.802 0.433 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.575 -0.590 0.587 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.921 1.618 1.530 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.824 -1.163 1.840 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.170 1.045 2.782 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.122 -0.346 2.937 1.00 0.00 C ATOM 561 OH TYR A 35 -8.369 -0.910 4.173 1.00 0.00 O ATOM 0 H TYR A 35 -8.021 2.228 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.347 -0.459 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.284 1.601 -1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.846 2.395 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.347 -1.220 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.960 2.691 1.410 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.786 -2.236 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.399 1.675 3.629 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.558 -0.202 4.824 1.00 0.00 H new ATOM 571 N GLY A 36 -9.687 -0.938 -1.285 1.00 0.00 N ATOM 572 CA GLY A 36 -11.127 -1.292 -1.106 1.00 0.00 C ATOM 573 C GLY A 36 -11.599 -0.945 0.309 1.00 0.00 C ATOM 574 O GLY A 36 -12.698 -1.286 0.700 1.00 0.00 O ATOM 0 H GLY A 36 -9.024 -1.635 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.732 -0.756 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.271 -2.356 -1.292 1.00 0.00 H new ATOM 578 N ALA A 37 -10.788 -0.272 1.082 1.00 0.00 N ATOM 579 CA ALA A 37 -11.212 0.091 2.470 1.00 0.00 C ATOM 580 C ALA A 37 -11.542 -1.164 3.287 1.00 0.00 C ATOM 581 O ALA A 37 -12.115 -1.080 4.355 1.00 0.00 O ATOM 582 CB ALA A 37 -12.461 0.956 2.296 1.00 0.00 C ATOM 0 H ALA A 37 -9.855 0.042 0.816 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.421 0.614 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.831 1.262 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.212 1.841 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.231 0.383 1.780 1.00 0.00 H new ATOM 588 N CYS A 38 -11.189 -2.323 2.802 1.00 0.00 N ATOM 589 CA CYS A 38 -11.487 -3.570 3.568 1.00 0.00 C ATOM 590 C CYS A 38 -10.465 -4.661 3.235 1.00 0.00 C ATOM 591 O CYS A 38 -9.741 -4.570 2.263 1.00 0.00 O ATOM 592 CB CYS A 38 -12.888 -3.993 3.122 1.00 0.00 C ATOM 593 SG CYS A 38 -12.823 -4.619 1.425 1.00 0.00 S ATOM 0 H CYS A 38 -10.709 -2.462 1.913 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.435 -3.408 4.645 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.276 -4.763 3.789 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.571 -3.145 3.182 1.00 0.00 H new ATOM 598 N ARG A 39 -10.398 -5.692 4.036 1.00 0.00 N ATOM 599 CA ARG A 39 -9.419 -6.786 3.766 1.00 0.00 C ATOM 600 C ARG A 39 -8.073 -6.190 3.350 1.00 0.00 C ATOM 601 O ARG A 39 -7.393 -6.703 2.482 1.00 0.00 O ATOM 602 CB ARG A 39 -10.028 -7.590 2.617 1.00 0.00 C ATOM 603 CG ARG A 39 -11.176 -8.454 3.145 1.00 0.00 C ATOM 604 CD ARG A 39 -11.774 -9.264 1.993 1.00 0.00 C ATOM 605 NE ARG A 39 -12.863 -10.069 2.612 1.00 0.00 N ATOM 606 CZ ARG A 39 -13.706 -10.716 1.855 1.00 0.00 C ATOM 607 NH1 ARG A 39 -14.411 -10.071 0.965 1.00 0.00 N ATOM 608 NH2 ARG A 39 -13.846 -12.006 1.987 1.00 0.00 N ATOM 0 H ARG A 39 -10.978 -5.824 4.865 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.238 -7.407 4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.394 -6.916 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.267 -8.221 2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.813 -9.123 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.942 -7.824 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.162 -8.611 1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.024 -9.905 1.530 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.950 -10.115 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.302 -9.062 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.070 -10.576 0.373 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.296 -12.510 2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.505 -12.511 1.395 1.00 0.00 H new ATOM 622 N ALA A 40 -7.687 -5.107 3.964 1.00 0.00 N ATOM 623 CA ALA A 40 -6.389 -4.465 3.608 1.00 0.00 C ATOM 624 C ALA A 40 -5.220 -5.193 4.277 1.00 0.00 C ATOM 625 O ALA A 40 -5.383 -5.867 5.275 1.00 0.00 O ATOM 626 CB ALA A 40 -6.506 -3.038 4.145 1.00 0.00 C ATOM 0 H ALA A 40 -8.215 -4.637 4.699 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.197 -4.493 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.589 -2.490 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.350 -2.538 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.662 -3.067 5.223 1.00 0.00 H new ATOM 632 N LYS A 41 -4.041 -5.056 3.735 1.00 0.00 N ATOM 633 CA LYS A 41 -2.852 -5.728 4.336 1.00 0.00 C ATOM 634 C LYS A 41 -1.793 -4.680 4.690 1.00 0.00 C ATOM 635 O LYS A 41 -2.059 -3.494 4.677 1.00 0.00 O ATOM 636 CB LYS A 41 -2.331 -6.672 3.250 1.00 0.00 C ATOM 637 CG LYS A 41 -3.478 -7.545 2.734 1.00 0.00 C ATOM 638 CD LYS A 41 -3.016 -8.314 1.496 1.00 0.00 C ATOM 639 CE LYS A 41 -2.196 -9.533 1.925 1.00 0.00 C ATOM 640 NZ LYS A 41 -3.125 -10.351 2.754 1.00 0.00 N ATOM 0 H LYS A 41 -3.848 -4.505 2.898 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.096 -6.266 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.901 -6.097 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.535 -7.300 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.797 -8.241 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.340 -6.924 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.878 -8.631 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.416 -7.667 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.841 -10.094 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.316 -9.236 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.964 -11.360 2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.952 -10.159 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.108 -10.106 2.518 1.00 0.00 H new ATOM 654 N ARG A 42 -0.597 -5.098 5.006 1.00 0.00 N ATOM 655 CA ARG A 42 0.463 -4.107 5.355 1.00 0.00 C ATOM 656 C ARG A 42 0.912 -3.351 4.101 1.00 0.00 C ATOM 657 O ARG A 42 1.493 -2.286 4.182 1.00 0.00 O ATOM 658 CB ARG A 42 1.620 -4.929 5.931 1.00 0.00 C ATOM 659 CG ARG A 42 1.092 -5.885 7.002 1.00 0.00 C ATOM 660 CD ARG A 42 2.265 -6.434 7.816 1.00 0.00 C ATOM 661 NE ARG A 42 2.562 -7.764 7.216 1.00 0.00 N ATOM 662 CZ ARG A 42 2.209 -8.855 7.838 1.00 0.00 C ATOM 663 NH1 ARG A 42 0.945 -9.149 7.971 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.120 -9.650 8.329 1.00 0.00 N ATOM 0 H ARG A 42 -0.309 -6.076 5.038 1.00 0.00 H new ATOM 0 HA ARG A 42 0.107 -3.363 6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.109 -5.492 5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.371 -4.266 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.393 -5.365 7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.544 -6.704 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.130 -5.773 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.005 -6.526 8.870 1.00 0.00 H new ATOM 0 HE ARG A 42 3.042 -7.822 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.234 -8.526 7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.668 -10.002 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.108 -9.418 8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.844 -10.503 8.815 1.00 0.00 H new ATOM 678 N ASN A 43 0.647 -3.890 2.942 1.00 0.00 N ATOM 679 CA ASN A 43 1.058 -3.197 1.687 1.00 0.00 C ATOM 680 C ASN A 43 -0.021 -2.194 1.265 1.00 0.00 C ATOM 681 O ASN A 43 -0.518 -2.225 0.157 1.00 0.00 O ATOM 682 CB ASN A 43 1.195 -4.310 0.648 1.00 0.00 C ATOM 683 CG ASN A 43 2.138 -3.854 -0.467 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.753 -3.794 -1.617 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.368 -3.532 -0.172 1.00 0.00 N ATOM 0 H ASN A 43 0.164 -4.779 2.810 1.00 0.00 H new ATOM 0 HA ASN A 43 1.985 -2.636 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.581 -5.215 1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.218 -4.558 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.007 -3.230 -0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.691 -3.583 0.794 1.00 0.00 H new ATOM 692 N ASN A 44 -0.382 -1.303 2.146 1.00 0.00 N ATOM 693 CA ASN A 44 -1.429 -0.290 1.817 1.00 0.00 C ATOM 694 C ASN A 44 -1.356 0.857 2.828 1.00 0.00 C ATOM 695 O ASN A 44 -2.109 0.907 3.781 1.00 0.00 O ATOM 696 CB ASN A 44 -2.754 -1.045 1.948 1.00 0.00 C ATOM 697 CG ASN A 44 -3.923 -0.056 1.938 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.724 1.140 1.885 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.145 -0.514 1.974 1.00 0.00 N ATOM 0 H ASN A 44 0.005 -1.231 3.087 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.309 0.144 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.860 -1.755 1.128 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.763 -1.622 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.933 0.133 1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.312 -1.519 2.019 1.00 0.00 H new ATOM 706 N PHE A 45 -0.446 1.771 2.635 1.00 0.00 N ATOM 707 CA PHE A 45 -0.309 2.906 3.592 1.00 0.00 C ATOM 708 C PHE A 45 -1.235 4.058 3.190 1.00 0.00 C ATOM 709 O PHE A 45 -1.484 4.290 2.026 1.00 0.00 O ATOM 710 CB PHE A 45 1.162 3.323 3.499 1.00 0.00 C ATOM 711 CG PHE A 45 2.033 2.083 3.533 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.411 1.519 4.759 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.451 1.492 2.333 1.00 0.00 C ATOM 714 CE1 PHE A 45 3.208 0.366 4.784 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.245 0.337 2.357 1.00 0.00 C ATOM 716 CZ PHE A 45 3.624 -0.228 3.583 1.00 0.00 C ATOM 0 H PHE A 45 0.210 1.781 1.854 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.587 2.629 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.337 3.880 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.418 3.985 4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.088 1.973 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.161 1.927 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.502 -0.066 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.565 -0.118 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.235 -1.118 3.603 1.00 0.00 H new ATOM 726 N LYS A 46 -1.753 4.772 4.149 1.00 0.00 N ATOM 727 CA LYS A 46 -2.673 5.902 3.832 1.00 0.00 C ATOM 728 C LYS A 46 -1.905 7.066 3.199 1.00 0.00 C ATOM 729 O LYS A 46 -2.462 7.863 2.470 1.00 0.00 O ATOM 730 CB LYS A 46 -3.257 6.316 5.184 1.00 0.00 C ATOM 731 CG LYS A 46 -4.086 7.590 5.023 1.00 0.00 C ATOM 732 CD LYS A 46 -4.698 7.973 6.373 1.00 0.00 C ATOM 733 CE LYS A 46 -5.465 9.290 6.237 1.00 0.00 C ATOM 734 NZ LYS A 46 -5.609 9.796 7.631 1.00 0.00 N ATOM 0 H LYS A 46 -1.579 4.622 5.143 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.444 5.616 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.879 5.514 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.454 6.482 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.459 8.401 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.873 7.434 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.368 7.185 6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.914 8.074 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.923 10.000 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.438 9.134 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.126 10.698 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.135 9.102 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.667 9.941 8.047 1.00 0.00 H new ATOM 748 N SER A 47 -0.634 7.175 3.472 1.00 0.00 N ATOM 749 CA SER A 47 0.153 8.296 2.882 1.00 0.00 C ATOM 750 C SER A 47 1.543 7.814 2.462 1.00 0.00 C ATOM 751 O SER A 47 2.023 6.798 2.923 1.00 0.00 O ATOM 752 CB SER A 47 0.262 9.329 4.001 1.00 0.00 C ATOM 753 OG SER A 47 1.021 8.782 5.072 1.00 0.00 O ATOM 0 H SER A 47 -0.108 6.541 4.074 1.00 0.00 H new ATOM 0 HA SER A 47 -0.320 8.704 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.738 10.236 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.731 9.610 4.350 1.00 0.00 H new ATOM 0 HG SER A 47 1.095 9.443 5.792 1.00 0.00 H new ATOM 759 N ALA A 48 2.194 8.541 1.596 1.00 0.00 N ATOM 760 CA ALA A 48 3.556 8.127 1.152 1.00 0.00 C ATOM 761 C ALA A 48 4.520 8.173 2.338 1.00 0.00 C ATOM 762 O ALA A 48 5.534 7.504 2.357 1.00 0.00 O ATOM 763 CB ALA A 48 3.960 9.154 0.091 1.00 0.00 C ATOM 0 H ALA A 48 1.843 9.402 1.177 1.00 0.00 H new ATOM 0 HA ALA A 48 3.576 7.111 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.955 8.916 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.245 9.128 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.968 10.150 0.533 1.00 0.00 H new ATOM 769 N GLU A 49 4.205 8.958 3.332 1.00 0.00 N ATOM 770 CA GLU A 49 5.096 9.051 4.524 1.00 0.00 C ATOM 771 C GLU A 49 4.972 7.782 5.370 1.00 0.00 C ATOM 772 O GLU A 49 5.899 7.382 6.046 1.00 0.00 O ATOM 773 CB GLU A 49 4.591 10.269 5.299 1.00 0.00 C ATOM 774 CG GLU A 49 5.548 10.576 6.451 1.00 0.00 C ATOM 775 CD GLU A 49 6.481 11.722 6.050 1.00 0.00 C ATOM 776 OE1 GLU A 49 7.385 11.476 5.269 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.274 12.824 6.530 1.00 0.00 O ATOM 0 H GLU A 49 3.368 9.540 3.370 1.00 0.00 H new ATOM 0 HA GLU A 49 6.147 9.150 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.517 11.130 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.590 10.077 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.984 10.848 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.131 9.689 6.700 1.00 0.00 H new ATOM 784 N ASP A 50 3.835 7.143 5.333 1.00 0.00 N ATOM 785 CA ASP A 50 3.654 5.897 6.130 1.00 0.00 C ATOM 786 C ASP A 50 4.275 4.717 5.385 1.00 0.00 C ATOM 787 O ASP A 50 4.760 3.775 5.980 1.00 0.00 O ATOM 788 CB ASP A 50 2.140 5.721 6.257 1.00 0.00 C ATOM 789 CG ASP A 50 1.708 6.023 7.693 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.562 6.394 8.483 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.531 5.877 7.979 1.00 0.00 O ATOM 0 H ASP A 50 3.024 7.430 4.785 1.00 0.00 H new ATOM 0 HA ASP A 50 4.134 5.950 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.627 6.388 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.858 4.703 5.988 1.00 0.00 H new ATOM 796 N CYS A 51 4.275 4.770 4.081 1.00 0.00 N ATOM 797 CA CYS A 51 4.875 3.662 3.287 1.00 0.00 C ATOM 798 C CYS A 51 6.395 3.818 3.269 1.00 0.00 C ATOM 799 O CYS A 51 7.131 2.869 3.464 1.00 0.00 O ATOM 800 CB CYS A 51 4.300 3.823 1.881 1.00 0.00 C ATOM 801 SG CYS A 51 4.881 2.466 0.836 1.00 0.00 S ATOM 0 H CYS A 51 3.884 5.535 3.531 1.00 0.00 H new ATOM 0 HA CYS A 51 4.652 2.678 3.700 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.211 3.826 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.607 4.780 1.458 1.00 0.00 H new ATOM 806 N MET A 52 6.873 5.014 3.050 1.00 0.00 N ATOM 807 CA MET A 52 8.347 5.236 3.032 1.00 0.00 C ATOM 808 C MET A 52 8.912 5.023 4.437 1.00 0.00 C ATOM 809 O MET A 52 9.863 4.292 4.633 1.00 0.00 O ATOM 810 CB MET A 52 8.526 6.690 2.597 1.00 0.00 C ATOM 811 CG MET A 52 10.012 6.975 2.368 1.00 0.00 C ATOM 812 SD MET A 52 10.204 8.091 0.956 1.00 0.00 S ATOM 813 CE MET A 52 10.107 6.832 -0.340 1.00 0.00 C ATOM 0 H MET A 52 6.307 5.846 2.883 1.00 0.00 H new ATOM 0 HA MET A 52 8.867 4.550 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.963 6.879 1.683 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.130 7.360 3.360 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.449 7.423 3.261 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.547 6.044 2.184 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.204 7.307 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.912 6.109 -0.206 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.146 6.321 -0.279 1.00 0.00 H new ATOM 823 N ARG A 53 8.323 5.651 5.418 1.00 0.00 N ATOM 824 CA ARG A 53 8.812 5.484 6.815 1.00 0.00 C ATOM 825 C ARG A 53 8.763 4.005 7.211 1.00 0.00 C ATOM 826 O ARG A 53 9.416 3.580 8.145 1.00 0.00 O ATOM 827 CB ARG A 53 7.842 6.305 7.667 1.00 0.00 C ATOM 828 CG ARG A 53 8.144 6.080 9.149 1.00 0.00 C ATOM 829 CD ARG A 53 6.975 5.336 9.801 1.00 0.00 C ATOM 830 NE ARG A 53 5.760 6.104 9.408 1.00 0.00 N ATOM 831 CZ ARG A 53 5.283 7.023 10.205 1.00 0.00 C ATOM 832 NH1 ARG A 53 4.402 6.707 11.114 1.00 0.00 N ATOM 833 NH2 ARG A 53 5.685 8.259 10.090 1.00 0.00 N ATOM 0 H ARG A 53 7.522 6.274 5.311 1.00 0.00 H new ATOM 0 HA ARG A 53 9.843 5.813 6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.934 7.363 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.814 6.016 7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.063 5.504 9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.304 7.036 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.920 4.305 9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.086 5.300 10.885 1.00 0.00 H new ATOM 0 HE ARG A 53 5.301 5.912 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.085 5.742 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.030 7.425 11.736 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.372 8.508 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.313 8.976 10.712 1.00 0.00 H new ATOM 847 N THR A 54 7.996 3.220 6.505 1.00 0.00 N ATOM 848 CA THR A 54 7.902 1.768 6.831 1.00 0.00 C ATOM 849 C THR A 54 8.953 0.982 6.043 1.00 0.00 C ATOM 850 O THR A 54 9.657 0.152 6.582 1.00 0.00 O ATOM 851 CB THR A 54 6.491 1.359 6.397 1.00 0.00 C ATOM 852 OG1 THR A 54 5.550 1.822 7.360 1.00 0.00 O ATOM 853 CG2 THR A 54 6.410 -0.166 6.279 1.00 0.00 C ATOM 0 H THR A 54 7.428 3.523 5.714 1.00 0.00 H new ATOM 0 HA THR A 54 8.080 1.567 7.887 1.00 0.00 H new ATOM 0 HB THR A 54 6.263 1.802 5.428 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.918 2.436 6.931 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.405 -0.454 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.131 -0.512 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.636 -0.618 7.245 1.00 0.00 H new ATOM 861 N CYS A 55 9.056 1.232 4.767 1.00 0.00 N ATOM 862 CA CYS A 55 10.056 0.496 3.940 1.00 0.00 C ATOM 863 C CYS A 55 10.938 1.479 3.167 1.00 0.00 C ATOM 864 O CYS A 55 11.182 1.314 1.988 1.00 0.00 O ATOM 865 CB CYS A 55 9.220 -0.346 2.977 1.00 0.00 C ATOM 866 SG CYS A 55 10.094 -1.888 2.612 1.00 0.00 S ATOM 0 H CYS A 55 8.491 1.914 4.260 1.00 0.00 H new ATOM 0 HA CYS A 55 10.725 -0.114 4.546 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.246 -0.562 3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.038 0.208 2.056 1.00 0.00 H new ATOM 871 N GLY A 56 11.420 2.500 3.821 1.00 0.00 N ATOM 872 CA GLY A 56 12.287 3.489 3.122 1.00 0.00 C ATOM 873 C GLY A 56 13.751 3.226 3.479 1.00 0.00 C ATOM 874 O GLY A 56 14.617 4.044 3.238 1.00 0.00 O ATOM 0 H GLY A 56 11.251 2.692 4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.146 3.415 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.007 4.502 3.411 1.00 0.00 H new ATOM 878 N GLY A 57 14.036 2.089 4.054 1.00 0.00 N ATOM 879 CA GLY A 57 15.444 1.774 4.427 1.00 0.00 C ATOM 880 C GLY A 57 16.177 1.194 3.216 1.00 0.00 C ATOM 881 O GLY A 57 16.612 0.060 3.226 1.00 0.00 O ATOM 0 H GLY A 57 13.354 1.365 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.950 2.675 4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.462 1.061 5.252 1.00 0.00 H new ATOM 885 N ALA A 58 16.317 1.963 2.171 1.00 0.00 N ATOM 886 CA ALA A 58 17.023 1.453 0.961 1.00 0.00 C ATOM 887 C ALA A 58 18.163 2.399 0.577 1.00 0.00 C ATOM 888 O ALA A 58 19.021 1.985 -0.184 1.00 0.00 O ATOM 889 CB ALA A 58 15.958 1.421 -0.135 1.00 0.00 C ATOM 890 OXT ALA A 58 18.160 3.524 1.053 1.00 0.00 O ATOM 0 H ALA A 58 15.974 2.921 2.102 1.00 0.00 H new ATOM 0 HA ALA A 58 17.468 0.471 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.400 1.055 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.146 0.759 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.567 2.426 -0.292 1.00 0.00 H new TER 896 ALA A 58