USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 485 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 53 ASN : amide:sc= -0.165 K(o=-0.33,f=1.9) USER MOD Set 1.2: A 58 SER OG : rot 150:sc= -0.164 USER MOD Set 2.1: A 28 TYR OH : rot 61:sc= 0.955 USER MOD Set 2.2: A 30 HIS : no HD1:sc= 0.529 K(o=2.3,f=-1.8) USER MOD Set 2.3: A 33 LYS NZ :NH3+ 180:sc= 0.811 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.002 X(o=-0.002,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -116:sc= 0.874 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.2) USER MOD Single : A 26 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.7!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.324 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 47 N ASN A 4 -0.842 3.177 10.216 1.00 0.00 N ATOM 48 CA ASN A 4 -1.162 1.842 9.729 1.00 0.00 C ATOM 49 C ASN A 4 -2.196 1.905 8.608 1.00 0.00 C ATOM 50 O ASN A 4 -3.052 2.787 8.588 1.00 0.00 O ATOM 51 CB ASN A 4 -1.654 0.944 10.849 1.00 0.00 C ATOM 52 CG ASN A 4 -0.638 0.721 11.935 1.00 0.00 C ATOM 53 OD1 ASN A 4 0.395 0.075 11.723 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.963 1.179 13.116 1.00 0.00 N ATOM 0 HA ASN A 4 -0.243 1.412 9.332 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.551 1.382 11.287 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.942 -0.020 10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.352 1.008 13.915 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.827 1.707 13.238 1.00 0.00 H new ATOM 61 N GLY A 5 -2.108 0.962 7.674 1.00 0.00 N ATOM 62 CA GLY A 5 -3.090 0.877 6.610 1.00 0.00 C ATOM 63 C GLY A 5 -3.748 -0.488 6.535 1.00 0.00 C ATOM 64 O GLY A 5 -3.373 -1.407 7.265 1.00 0.00 O ATOM 0 H GLY A 5 -1.373 0.255 7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.855 1.638 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.609 1.098 5.657 1.00 0.00 H new ATOM 68 N THR A 6 -4.732 -0.621 5.653 1.00 0.00 N ATOM 69 CA THR A 6 -5.387 -1.903 5.425 1.00 0.00 C ATOM 70 C THR A 6 -5.415 -2.252 3.943 1.00 0.00 C ATOM 71 O THR A 6 -5.803 -1.433 3.110 1.00 0.00 O ATOM 72 CB THR A 6 -6.827 -1.906 5.971 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.807 -1.657 7.383 1.00 0.00 O ATOM 74 CG2 THR A 6 -7.496 -3.246 5.707 1.00 0.00 C ATOM 0 H THR A 6 -5.094 0.144 5.084 1.00 0.00 H new ATOM 0 HA THR A 6 -4.804 -2.653 5.960 1.00 0.00 H new ATOM 0 HB THR A 6 -7.392 -1.123 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.724 -1.658 7.728 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.513 -3.229 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.525 -3.433 4.634 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.931 -4.038 6.198 1.00 0.00 H new ATOM 82 N ILE A 7 -5.002 -3.473 3.618 1.00 0.00 N ATOM 83 CA ILE A 7 -5.068 -3.963 2.247 1.00 0.00 C ATOM 84 C ILE A 7 -6.377 -4.702 1.990 1.00 0.00 C ATOM 85 O ILE A 7 -6.718 -5.650 2.697 1.00 0.00 O ATOM 86 CB ILE A 7 -3.889 -4.898 1.924 1.00 0.00 C ATOM 87 CG1 ILE A 7 -2.572 -4.116 1.928 1.00 0.00 C ATOM 88 CG2 ILE A 7 -4.102 -5.580 0.582 1.00 0.00 C ATOM 89 CD1 ILE A 7 -1.344 -4.990 1.822 1.00 0.00 C ATOM 0 H ILE A 7 -4.618 -4.141 4.286 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.014 -3.090 1.597 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.836 -5.667 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.577 -3.410 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.511 -3.529 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.259 -6.237 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.020 -6.167 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.180 -4.826 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.451 -4.365 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.314 -5.679 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.380 -5.557 0.892 1.00 0.00 H new ATOM 101 N THR A 8 -7.108 -4.261 0.971 1.00 0.00 N ATOM 102 CA THR A 8 -8.415 -4.829 0.668 1.00 0.00 C ATOM 103 C THR A 8 -8.298 -5.980 -0.324 1.00 0.00 C ATOM 104 O THR A 8 -9.117 -6.901 -0.323 1.00 0.00 O ATOM 105 CB THR A 8 -9.374 -3.767 0.097 1.00 0.00 C ATOM 106 OG1 THR A 8 -8.844 -3.251 -1.132 1.00 0.00 O ATOM 107 CG2 THR A 8 -9.555 -2.625 1.085 1.00 0.00 C ATOM 0 H THR A 8 -6.817 -3.513 0.342 1.00 0.00 H new ATOM 0 HA THR A 8 -8.821 -5.203 1.608 1.00 0.00 H new ATOM 0 HB THR A 8 -10.342 -4.234 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.456 -2.577 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.235 -1.885 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.970 -3.012 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.590 -2.159 1.284 1.00 0.00 H new ATOM 115 N THR A 9 -7.276 -5.925 -1.172 1.00 0.00 N ATOM 116 CA THR A 9 -7.009 -6.998 -2.120 1.00 0.00 C ATOM 117 C THR A 9 -5.522 -7.093 -2.440 1.00 0.00 C ATOM 118 O THR A 9 -4.830 -6.079 -2.524 1.00 0.00 O ATOM 119 CB THR A 9 -7.795 -6.802 -3.430 1.00 0.00 C ATOM 120 OG1 THR A 9 -7.671 -7.975 -4.245 1.00 0.00 O ATOM 121 CG2 THR A 9 -7.266 -5.599 -4.195 1.00 0.00 C ATOM 0 H THR A 9 -6.619 -5.147 -1.221 1.00 0.00 H new ATOM 0 HA THR A 9 -7.335 -7.924 -1.647 1.00 0.00 H new ATOM 0 HB THR A 9 -8.843 -6.631 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.202 -7.748 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.833 -5.476 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.371 -4.703 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.214 -5.754 -4.434 1.00 0.00 H new ATOM 129 N TRP A 10 -5.038 -8.316 -2.618 1.00 0.00 N ATOM 130 CA TRP A 10 -3.633 -8.543 -2.938 1.00 0.00 C ATOM 131 C TRP A 10 -3.470 -9.760 -3.843 1.00 0.00 C ATOM 132 O TRP A 10 -3.909 -10.859 -3.506 1.00 0.00 O ATOM 133 CB TRP A 10 -2.815 -8.725 -1.658 1.00 0.00 C ATOM 134 CG TRP A 10 -1.342 -8.848 -1.901 1.00 0.00 C ATOM 135 CD1 TRP A 10 -0.479 -7.839 -2.209 1.00 0.00 C ATOM 136 CD2 TRP A 10 -0.558 -10.047 -1.856 1.00 0.00 C ATOM 137 NE1 TRP A 10 0.793 -8.333 -2.360 1.00 0.00 N ATOM 138 CE2 TRP A 10 0.770 -9.689 -2.147 1.00 0.00 C ATOM 139 CE3 TRP A 10 -0.854 -11.391 -1.598 1.00 0.00 C ATOM 140 CZ2 TRP A 10 1.798 -10.617 -2.189 1.00 0.00 C ATOM 141 CZ3 TRP A 10 0.178 -12.323 -1.638 1.00 0.00 C ATOM 142 CH2 TRP A 10 1.465 -11.946 -1.925 1.00 0.00 C ATOM 0 H TRP A 10 -5.597 -9.166 -2.546 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.263 -7.667 -3.471 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.996 -7.877 -0.997 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.165 -9.616 -1.137 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.756 -6.801 -2.318 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.620 -7.783 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.864 -11.698 -1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.813 -10.325 -2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.038 -13.362 -1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.241 -12.697 -1.947 1.00 0.00 H new ATOM 153 N PHE A 11 -2.835 -9.556 -4.992 1.00 0.00 N ATOM 154 CA PHE A 11 -2.623 -10.635 -5.950 1.00 0.00 C ATOM 155 C PHE A 11 -1.137 -10.951 -6.094 1.00 0.00 C ATOM 156 O PHE A 11 -0.370 -10.155 -6.640 1.00 0.00 O ATOM 157 CB PHE A 11 -3.220 -10.268 -7.310 1.00 0.00 C ATOM 158 CG PHE A 11 -4.711 -10.088 -7.289 1.00 0.00 C ATOM 159 CD1 PHE A 11 -5.558 -11.168 -7.484 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.270 -8.837 -7.073 1.00 0.00 C ATOM 161 CE1 PHE A 11 -6.930 -11.004 -7.466 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.642 -8.670 -7.053 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.472 -9.753 -7.250 1.00 0.00 C ATOM 0 H PHE A 11 -2.458 -8.654 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.128 -11.525 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.757 -9.346 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.968 -11.047 -8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.140 -12.150 -7.652 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.626 -7.984 -6.919 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.578 -11.854 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.064 -7.691 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.544 -9.623 -7.235 1.00 0.00 H new ATOM 173 N LYS A 12 -0.735 -12.115 -5.599 1.00 0.00 N ATOM 174 CA LYS A 12 0.650 -12.559 -5.709 1.00 0.00 C ATOM 175 C LYS A 12 1.041 -12.763 -7.170 1.00 0.00 C ATOM 176 O LYS A 12 2.103 -12.319 -7.605 1.00 0.00 O ATOM 177 CB LYS A 12 0.864 -13.851 -4.919 1.00 0.00 C ATOM 178 CG LYS A 12 2.302 -14.352 -4.913 1.00 0.00 C ATOM 179 CD LYS A 12 2.451 -15.595 -4.048 1.00 0.00 C ATOM 180 CE LYS A 12 3.880 -16.116 -4.067 1.00 0.00 C ATOM 181 NZ LYS A 12 4.033 -17.354 -3.256 1.00 0.00 N ATOM 0 H LYS A 12 -1.350 -12.770 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 12 1.288 -11.782 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.543 -13.691 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.223 -14.628 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.615 -14.576 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.961 -13.567 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.160 -15.364 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.774 -16.372 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.179 -16.317 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.551 -15.347 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.021 -17.675 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.773 -17.157 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.412 -18.097 -3.636 1.00 0.00 H new ATOM 195 N ASP A 13 0.174 -13.433 -7.922 1.00 0.00 N ATOM 196 CA ASP A 13 0.499 -13.840 -9.283 1.00 0.00 C ATOM 197 C ASP A 13 0.440 -12.649 -10.236 1.00 0.00 C ATOM 198 O ASP A 13 1.177 -12.592 -11.220 1.00 0.00 O ATOM 199 CB ASP A 13 -0.451 -14.943 -9.755 1.00 0.00 C ATOM 200 CG ASP A 13 -0.213 -16.300 -9.107 1.00 0.00 C ATOM 201 OD1 ASP A 13 0.816 -16.472 -8.495 1.00 0.00 O ATOM 202 OD2 ASP A 13 -1.119 -17.098 -9.094 1.00 0.00 O ATOM 0 H ASP A 13 -0.759 -13.705 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 13 1.517 -14.231 -9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.476 -14.633 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.357 -15.049 -10.836 1.00 0.00 H new ATOM 207 N LYS A 14 -0.443 -11.703 -9.937 1.00 0.00 N ATOM 208 CA LYS A 14 -0.733 -10.609 -10.855 1.00 0.00 C ATOM 209 C LYS A 14 0.074 -9.366 -10.490 1.00 0.00 C ATOM 210 O LYS A 14 0.348 -8.520 -11.341 1.00 0.00 O ATOM 211 CB LYS A 14 -2.227 -10.288 -10.854 1.00 0.00 C ATOM 212 CG LYS A 14 -3.118 -11.441 -11.298 1.00 0.00 C ATOM 213 CD LYS A 14 -4.581 -11.025 -11.342 1.00 0.00 C ATOM 214 CE LYS A 14 -5.473 -12.179 -11.777 1.00 0.00 C ATOM 215 NZ LYS A 14 -6.908 -11.790 -11.812 1.00 0.00 N ATOM 0 H LYS A 14 -0.971 -11.672 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.445 -10.925 -11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.520 -9.984 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.404 -9.435 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.806 -11.785 -12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.997 -12.281 -10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.891 -10.674 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.703 -10.189 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.166 -12.522 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.341 -13.017 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.481 -12.604 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.209 -11.487 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.039 -11.007 -12.484 1.00 0.00 H new ATOM 229 N GLY A 15 0.452 -9.262 -9.221 1.00 0.00 N ATOM 230 CA GLY A 15 1.214 -8.115 -8.764 1.00 0.00 C ATOM 231 C GLY A 15 0.362 -6.869 -8.630 1.00 0.00 C ATOM 232 O GLY A 15 0.847 -5.752 -8.817 1.00 0.00 O ATOM 0 H GLY A 15 0.244 -9.953 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.669 -8.345 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.028 -7.922 -9.463 1.00 0.00 H new ATOM 236 N PHE A 16 -0.913 -7.057 -8.306 1.00 0.00 N ATOM 237 CA PHE A 16 -1.802 -5.938 -8.015 1.00 0.00 C ATOM 238 C PHE A 16 -2.225 -5.945 -6.550 1.00 0.00 C ATOM 239 O PHE A 16 -2.576 -6.987 -5.999 1.00 0.00 O ATOM 240 CB PHE A 16 -3.034 -5.983 -8.921 1.00 0.00 C ATOM 241 CG PHE A 16 -2.741 -5.659 -10.359 1.00 0.00 C ATOM 242 CD1 PHE A 16 -2.156 -6.602 -11.191 1.00 0.00 C ATOM 243 CD2 PHE A 16 -3.048 -4.412 -10.880 1.00 0.00 C ATOM 244 CE1 PHE A 16 -1.887 -6.305 -12.515 1.00 0.00 C ATOM 245 CE2 PHE A 16 -2.781 -4.113 -12.202 1.00 0.00 C ATOM 246 CZ PHE A 16 -2.199 -5.061 -13.020 1.00 0.00 C ATOM 0 H PHE A 16 -1.354 -7.974 -8.238 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.257 -5.015 -8.210 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.478 -6.977 -8.865 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.777 -5.280 -8.544 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.908 -7.578 -10.801 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.501 -3.665 -10.245 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.432 -7.048 -13.153 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.027 -3.138 -12.596 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.989 -4.828 -14.053 1.00 0.00 H new ATOM 256 N GLY A 17 -2.187 -4.773 -5.923 1.00 0.00 N ATOM 257 CA GLY A 17 -2.654 -4.648 -4.555 1.00 0.00 C ATOM 258 C GLY A 17 -3.229 -3.276 -4.262 1.00 0.00 C ATOM 259 O GLY A 17 -2.829 -2.284 -4.873 1.00 0.00 O ATOM 0 H GLY A 17 -1.841 -3.908 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.414 -5.406 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.827 -4.845 -3.873 1.00 0.00 H new ATOM 263 N PHE A 18 -4.169 -3.218 -3.325 1.00 0.00 N ATOM 264 CA PHE A 18 -4.751 -1.950 -2.903 1.00 0.00 C ATOM 265 C PHE A 18 -4.427 -1.662 -1.440 1.00 0.00 C ATOM 266 O PHE A 18 -4.282 -2.581 -0.633 1.00 0.00 O ATOM 267 CB PHE A 18 -6.266 -1.958 -3.118 1.00 0.00 C ATOM 268 CG PHE A 18 -6.674 -1.900 -4.563 1.00 0.00 C ATOM 269 CD1 PHE A 18 -5.802 -1.411 -5.524 1.00 0.00 C ATOM 270 CD2 PHE A 18 -7.929 -2.333 -4.962 1.00 0.00 C ATOM 271 CE1 PHE A 18 -6.177 -1.357 -6.854 1.00 0.00 C ATOM 272 CE2 PHE A 18 -8.304 -2.283 -6.291 1.00 0.00 C ATOM 273 CZ PHE A 18 -7.427 -1.793 -7.238 1.00 0.00 C ATOM 0 H PHE A 18 -4.544 -4.035 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.315 -1.159 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.683 -2.859 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.703 -1.109 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.820 -1.069 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.621 -2.714 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.489 -0.973 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.283 -2.627 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.720 -1.751 -8.277 1.00 0.00 H new ATOM 283 N ILE A 19 -4.315 -0.381 -1.107 1.00 0.00 N ATOM 284 CA ILE A 19 -4.181 0.038 0.283 1.00 0.00 C ATOM 285 C ILE A 19 -5.185 1.131 0.629 1.00 0.00 C ATOM 286 O ILE A 19 -5.303 2.129 -0.083 1.00 0.00 O ATOM 287 CB ILE A 19 -2.758 0.544 0.585 1.00 0.00 C ATOM 288 CG1 ILE A 19 -1.740 -0.585 0.404 1.00 0.00 C ATOM 289 CG2 ILE A 19 -2.684 1.111 1.994 1.00 0.00 C ATOM 290 CD1 ILE A 19 -0.302 -0.120 0.437 1.00 0.00 C ATOM 0 H ILE A 19 -4.314 0.385 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.382 -0.840 0.897 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.516 1.341 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.890 -1.327 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.929 -1.084 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.672 1.464 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.383 1.942 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.944 0.334 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.360 -0.975 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.134 0.599 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.094 0.352 1.397 1.00 0.00 H new ATOM 302 N LYS A 20 -5.909 0.938 1.727 1.00 0.00 N ATOM 303 CA LYS A 20 -6.780 1.977 2.263 1.00 0.00 C ATOM 304 C LYS A 20 -6.084 2.750 3.379 1.00 0.00 C ATOM 305 O LYS A 20 -5.682 2.171 4.388 1.00 0.00 O ATOM 306 CB LYS A 20 -8.086 1.370 2.775 1.00 0.00 C ATOM 307 CG LYS A 20 -9.112 2.391 3.249 1.00 0.00 C ATOM 308 CD LYS A 20 -10.372 1.714 3.766 1.00 0.00 C ATOM 309 CE LYS A 20 -11.401 2.734 4.227 1.00 0.00 C ATOM 310 NZ LYS A 20 -12.644 2.085 4.726 1.00 0.00 N ATOM 0 H LYS A 20 -5.909 0.070 2.263 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.010 2.673 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.529 0.770 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.859 0.692 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.678 3.006 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.368 3.060 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.801 1.092 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.118 1.052 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.972 3.351 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.647 3.400 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.319 2.815 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.068 1.517 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.414 1.469 5.532 1.00 0.00 H new ATOM 324 N ASP A 21 -5.947 4.057 3.189 1.00 0.00 N ATOM 325 CA ASP A 21 -5.186 4.887 4.116 1.00 0.00 C ATOM 326 C ASP A 21 -6.027 5.247 5.337 1.00 0.00 C ATOM 327 O ASP A 21 -7.242 5.054 5.345 1.00 0.00 O ATOM 328 CB ASP A 21 -4.693 6.158 3.420 1.00 0.00 C ATOM 329 CG ASP A 21 -3.503 6.825 4.096 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.034 6.302 5.079 1.00 0.00 O ATOM 331 OD2 ASP A 21 -2.974 7.757 3.539 1.00 0.00 O ATOM 0 H ASP A 21 -6.352 4.565 2.403 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.321 4.314 4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.422 5.913 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.515 6.873 3.371 1.00 0.00 H new ATOM 336 N GLU A 22 -5.369 5.770 6.369 1.00 0.00 N ATOM 337 CA GLU A 22 -6.071 6.305 7.529 1.00 0.00 C ATOM 338 C GLU A 22 -6.901 7.527 7.146 1.00 0.00 C ATOM 339 O GLU A 22 -7.778 7.954 7.895 1.00 0.00 O ATOM 340 CB GLU A 22 -5.080 6.664 8.638 1.00 0.00 C ATOM 341 CG GLU A 22 -4.394 5.467 9.281 1.00 0.00 C ATOM 342 CD GLU A 22 -3.408 5.901 10.330 1.00 0.00 C ATOM 343 OE1 GLU A 22 -3.252 7.084 10.519 1.00 0.00 O ATOM 344 OE2 GLU A 22 -2.895 5.053 11.021 1.00 0.00 O ATOM 0 H GLU A 22 -4.352 5.834 6.424 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.746 5.534 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.318 7.326 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.606 7.224 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.142 4.814 9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.881 4.885 8.516 1.00 0.00 H new ATOM 351 N ASN A 23 -6.616 8.085 5.974 1.00 0.00 N ATOM 352 CA ASN A 23 -7.415 9.179 5.434 1.00 0.00 C ATOM 353 C ASN A 23 -8.620 8.644 4.667 1.00 0.00 C ATOM 354 O ASN A 23 -9.528 9.397 4.313 1.00 0.00 O ATOM 355 CB ASN A 23 -6.586 10.089 4.547 1.00 0.00 C ATOM 356 CG ASN A 23 -5.582 10.918 5.300 1.00 0.00 C ATOM 357 OD1 ASN A 23 -5.753 11.207 6.490 1.00 0.00 O ATOM 358 ND2 ASN A 23 -4.578 11.369 4.592 1.00 0.00 N ATOM 0 H ASN A 23 -5.838 7.798 5.380 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.773 9.769 6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.062 9.482 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.254 10.753 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.891 11.990 5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.483 11.100 3.613 1.00 0.00 H new ATOM 365 N GLY A 24 -8.623 7.340 4.413 1.00 0.00 N ATOM 366 CA GLY A 24 -9.784 6.700 3.823 1.00 0.00 C ATOM 367 C GLY A 24 -9.668 6.563 2.318 1.00 0.00 C ATOM 368 O GLY A 24 -10.613 6.142 1.651 1.00 0.00 O ATOM 0 H GLY A 24 -7.841 6.714 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.915 5.713 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.676 7.278 4.064 1.00 0.00 H new ATOM 372 N ASP A 25 -8.506 6.917 1.781 1.00 0.00 N ATOM 373 CA ASP A 25 -8.273 6.841 0.343 1.00 0.00 C ATOM 374 C ASP A 25 -7.791 5.451 -0.058 1.00 0.00 C ATOM 375 O ASP A 25 -6.899 4.887 0.575 1.00 0.00 O ATOM 376 CB ASP A 25 -7.255 7.899 -0.093 1.00 0.00 C ATOM 377 CG ASP A 25 -7.787 9.325 -0.085 1.00 0.00 C ATOM 378 OD1 ASP A 25 -8.980 9.493 0.014 1.00 0.00 O ATOM 379 OD2 ASP A 25 -6.994 10.233 -0.019 1.00 0.00 O ATOM 0 H ASP A 25 -7.710 7.260 2.320 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.219 7.035 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.388 7.844 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.908 7.659 -1.098 1.00 0.00 H new ATOM 384 N ASN A 26 -8.388 4.904 -1.112 1.00 0.00 N ATOM 385 CA ASN A 26 -7.964 3.615 -1.646 1.00 0.00 C ATOM 386 C ASN A 26 -6.985 3.800 -2.802 1.00 0.00 C ATOM 387 O ASN A 26 -7.354 4.286 -3.871 1.00 0.00 O ATOM 388 CB ASN A 26 -9.150 2.779 -2.091 1.00 0.00 C ATOM 389 CG ASN A 26 -8.775 1.411 -2.588 1.00 0.00 C ATOM 390 OD1 ASN A 26 -7.635 1.170 -3.002 1.00 0.00 O ATOM 391 ND2 ASN A 26 -9.749 0.537 -2.625 1.00 0.00 N ATOM 0 H ASN A 26 -9.166 5.333 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.458 3.081 -0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.843 2.675 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.681 3.310 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.585 -0.394 -3.009 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.672 0.787 -2.270 1.00 0.00 H new ATOM 398 N ARG A 27 -5.734 3.410 -2.577 1.00 0.00 N ATOM 399 CA ARG A 27 -4.666 3.681 -3.532 1.00 0.00 C ATOM 400 C ARG A 27 -4.047 2.381 -4.040 1.00 0.00 C ATOM 401 O ARG A 27 -3.988 1.387 -3.317 1.00 0.00 O ATOM 402 CB ARG A 27 -3.611 4.619 -2.965 1.00 0.00 C ATOM 403 CG ARG A 27 -4.145 5.949 -2.455 1.00 0.00 C ATOM 404 CD ARG A 27 -3.092 6.936 -2.102 1.00 0.00 C ATOM 405 NE ARG A 27 -3.597 8.177 -1.535 1.00 0.00 N ATOM 406 CZ ARG A 27 -3.589 8.476 -0.221 1.00 0.00 C ATOM 407 NH1 ARG A 27 -3.141 7.616 0.666 1.00 0.00 N ATOM 408 NH2 ARG A 27 -4.066 9.649 0.155 1.00 0.00 N ATOM 0 H ARG A 27 -5.436 2.906 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.114 4.196 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.097 4.113 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.867 4.815 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.793 6.383 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.764 5.766 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.406 6.478 -1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.514 7.168 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.984 8.869 -2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.792 6.706 0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.142 7.858 1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.427 10.300 -0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.073 9.904 1.143 1.00 0.00 H new ATOM 422 N TYR A 28 -3.588 2.398 -5.286 1.00 0.00 N ATOM 423 CA TYR A 28 -2.982 1.220 -5.892 1.00 0.00 C ATOM 424 C TYR A 28 -1.465 1.244 -5.734 1.00 0.00 C ATOM 425 O TYR A 28 -0.824 2.275 -5.934 1.00 0.00 O ATOM 426 CB TYR A 28 -3.356 1.128 -7.374 1.00 0.00 C ATOM 427 CG TYR A 28 -2.567 0.092 -8.143 1.00 0.00 C ATOM 428 CD1 TYR A 28 -2.683 -1.258 -7.845 1.00 0.00 C ATOM 429 CD2 TYR A 28 -1.708 0.467 -9.165 1.00 0.00 C ATOM 430 CE1 TYR A 28 -1.965 -2.209 -8.544 1.00 0.00 C ATOM 431 CE2 TYR A 28 -0.985 -0.475 -9.871 1.00 0.00 C ATOM 432 CZ TYR A 28 -1.115 -1.812 -9.557 1.00 0.00 C ATOM 433 OH TYR A 28 -0.397 -2.754 -10.258 1.00 0.00 O ATOM 0 H TYR A 28 -3.624 3.215 -5.896 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.367 0.340 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.418 0.896 -7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.205 2.103 -7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.346 -1.571 -7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.602 1.513 -9.413 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.068 -3.256 -8.300 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.321 -0.166 -10.665 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.014 -3.364 -10.714 1.00 0.00 H new ATOM 443 N PHE A 29 -0.896 0.098 -5.373 1.00 0.00 N ATOM 444 CA PHE A 29 0.543 -0.010 -5.166 1.00 0.00 C ATOM 445 C PHE A 29 1.102 -1.244 -5.868 1.00 0.00 C ATOM 446 O PHE A 29 0.363 -2.173 -6.197 1.00 0.00 O ATOM 447 CB PHE A 29 0.862 -0.070 -3.672 1.00 0.00 C ATOM 448 CG PHE A 29 0.635 -1.426 -3.065 1.00 0.00 C ATOM 449 CD1 PHE A 29 -0.626 -1.804 -2.634 1.00 0.00 C ATOM 450 CD2 PHE A 29 1.683 -2.321 -2.926 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.836 -3.051 -2.075 1.00 0.00 C ATOM 452 CE2 PHE A 29 1.479 -3.569 -2.367 1.00 0.00 C ATOM 453 CZ PHE A 29 0.216 -3.934 -1.942 1.00 0.00 C ATOM 0 H PHE A 29 -1.410 -0.769 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 29 1.014 0.875 -5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.902 0.219 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.247 0.662 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.454 -1.118 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.672 -2.041 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.824 -3.334 -1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.305 -4.257 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.052 -4.909 -1.506 1.00 0.00 H new ATOM 463 N HIS A 30 2.412 -1.246 -6.095 1.00 0.00 N ATOM 464 CA HIS A 30 3.092 -2.416 -6.642 1.00 0.00 C ATOM 465 C HIS A 30 3.894 -3.132 -5.559 1.00 0.00 C ATOM 466 O HIS A 30 4.469 -2.498 -4.675 1.00 0.00 O ATOM 467 CB HIS A 30 4.010 -2.018 -7.802 1.00 0.00 C ATOM 468 CG HIS A 30 3.284 -1.414 -8.963 1.00 0.00 C ATOM 469 ND1 HIS A 30 2.905 -0.088 -8.996 1.00 0.00 N ATOM 470 CD2 HIS A 30 2.867 -1.954 -10.133 1.00 0.00 C ATOM 471 CE1 HIS A 30 2.286 0.161 -10.137 1.00 0.00 C ATOM 472 NE2 HIS A 30 2.250 -0.954 -10.843 1.00 0.00 N ATOM 0 H HIS A 30 3.024 -0.451 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 30 2.332 -3.099 -7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.752 -1.307 -7.439 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.553 -2.899 -8.143 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.996 -2.979 -10.448 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.879 1.114 -10.440 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.831 -1.056 -11.767 1.00 0.00 H new ATOM 479 N VAL A 31 3.927 -4.458 -5.636 1.00 0.00 N ATOM 480 CA VAL A 31 4.665 -5.261 -4.668 1.00 0.00 C ATOM 481 C VAL A 31 6.146 -4.902 -4.669 1.00 0.00 C ATOM 482 O VAL A 31 6.850 -5.119 -3.682 1.00 0.00 O ATOM 483 CB VAL A 31 4.513 -6.768 -4.949 1.00 0.00 C ATOM 484 CG1 VAL A 31 3.049 -7.178 -4.876 1.00 0.00 C ATOM 485 CG2 VAL A 31 5.095 -7.118 -6.310 1.00 0.00 C ATOM 0 H VAL A 31 3.452 -4.999 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 31 4.241 -5.039 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 31 5.065 -7.318 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.960 -8.246 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.660 -6.962 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.477 -6.620 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.979 -8.186 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.570 -6.559 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.154 -6.860 -6.330 1.00 0.00 H new ATOM 495 N ILE A 32 6.614 -4.350 -5.784 1.00 0.00 N ATOM 496 CA ILE A 32 8.010 -3.948 -5.910 1.00 0.00 C ATOM 497 C ILE A 32 8.276 -2.645 -5.163 1.00 0.00 C ATOM 498 O ILE A 32 9.425 -2.289 -4.903 1.00 0.00 O ATOM 499 CB ILE A 32 8.418 -3.777 -7.385 1.00 0.00 C ATOM 500 CG1 ILE A 32 7.629 -2.633 -8.027 1.00 0.00 C ATOM 501 CG2 ILE A 32 8.201 -5.074 -8.150 1.00 0.00 C ATOM 502 CD1 ILE A 32 8.106 -2.268 -9.415 1.00 0.00 C ATOM 0 H ILE A 32 6.047 -4.171 -6.613 1.00 0.00 H new ATOM 0 HA ILE A 32 8.609 -4.745 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 32 9.479 -3.529 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.577 -2.912 -8.076 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.696 -1.753 -7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.494 -4.936 -9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.805 -5.865 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.148 -5.352 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.500 -1.450 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.150 -1.957 -9.371 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.013 -3.133 -10.071 1.00 0.00 H new ATOM 514 N LYS A 33 7.205 -1.938 -4.818 1.00 0.00 N ATOM 515 CA LYS A 33 7.323 -0.648 -4.151 1.00 0.00 C ATOM 516 C LYS A 33 7.172 -0.800 -2.640 1.00 0.00 C ATOM 517 O LYS A 33 6.912 0.172 -1.931 1.00 0.00 O ATOM 518 CB LYS A 33 6.280 0.332 -4.690 1.00 0.00 C ATOM 519 CG LYS A 33 6.485 0.730 -6.147 1.00 0.00 C ATOM 520 CD LYS A 33 5.275 1.473 -6.692 1.00 0.00 C ATOM 521 CE LYS A 33 5.517 1.958 -8.113 1.00 0.00 C ATOM 522 NZ LYS A 33 4.293 2.553 -8.715 1.00 0.00 N ATOM 0 H LYS A 33 6.245 -2.238 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 33 8.317 -0.251 -4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.291 -0.114 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.292 1.232 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.370 1.360 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.668 -0.161 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.404 0.818 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.048 2.323 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.317 2.698 -8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.855 1.124 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.501 2.871 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.536 1.840 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.984 3.365 -8.143 1.00 0.00 H new ATOM 536 N VAL A 34 7.341 -2.025 -2.153 1.00 0.00 N ATOM 537 CA VAL A 34 7.290 -2.292 -0.721 1.00 0.00 C ATOM 538 C VAL A 34 8.675 -2.612 -0.171 1.00 0.00 C ATOM 539 O VAL A 34 9.436 -3.366 -0.779 1.00 0.00 O ATOM 540 CB VAL A 34 6.337 -3.459 -0.398 1.00 0.00 C ATOM 541 CG1 VAL A 34 6.291 -3.710 1.102 1.00 0.00 C ATOM 542 CG2 VAL A 34 4.941 -3.171 -0.931 1.00 0.00 C ATOM 0 H VAL A 34 7.514 -2.848 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 34 6.914 -1.386 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 34 6.715 -4.357 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.613 -4.537 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.290 -3.959 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.937 -2.813 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.282 -4.006 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.556 -2.262 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.984 -3.039 -2.012 1.00 0.00 H new ATOM 552 N ALA A 35 8.996 -2.037 0.982 1.00 0.00 N ATOM 553 CA ALA A 35 10.310 -2.218 1.588 1.00 0.00 C ATOM 554 C ALA A 35 10.469 -3.630 2.140 1.00 0.00 C ATOM 555 O ALA A 35 11.475 -4.293 1.892 1.00 0.00 O ATOM 556 CB ALA A 35 10.530 -1.191 2.688 1.00 0.00 C ATOM 0 H ALA A 35 8.364 -1.441 1.517 1.00 0.00 H new ATOM 0 HA ALA A 35 11.063 -2.071 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.515 -1.338 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.468 -0.188 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.765 -1.310 3.455 1.00 0.00 H new ATOM 562 N ASN A 36 9.470 -4.084 2.889 1.00 0.00 N ATOM 563 CA ASN A 36 9.463 -5.446 3.412 1.00 0.00 C ATOM 564 C ASN A 36 8.095 -6.094 3.224 1.00 0.00 C ATOM 565 O ASN A 36 7.284 -6.166 4.147 1.00 0.00 O ATOM 566 CB ASN A 36 9.869 -5.482 4.874 1.00 0.00 C ATOM 567 CG ASN A 36 11.304 -5.101 5.114 1.00 0.00 C ATOM 568 OD1 ASN A 36 12.225 -5.890 4.877 1.00 0.00 O ATOM 569 ND2 ASN A 36 11.492 -3.927 5.659 1.00 0.00 N ATOM 0 H ASN A 36 8.654 -3.529 3.148 1.00 0.00 H new ATOM 0 HA ASN A 36 10.198 -6.017 2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.224 -4.807 5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.699 -6.485 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.434 -3.626 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.697 -3.313 5.834 1.00 0.00 H new ATOM 576 N PRO A 37 7.832 -6.577 2.001 1.00 0.00 N ATOM 577 CA PRO A 37 6.548 -7.193 1.653 1.00 0.00 C ATOM 578 C PRO A 37 6.326 -8.518 2.375 1.00 0.00 C ATOM 579 O PRO A 37 5.201 -9.013 2.451 1.00 0.00 O ATOM 580 CB PRO A 37 6.630 -7.380 0.134 1.00 0.00 C ATOM 581 CG PRO A 37 8.091 -7.424 -0.157 1.00 0.00 C ATOM 582 CD PRO A 37 8.722 -6.470 0.821 1.00 0.00 C ATOM 0 HA PRO A 37 5.701 -6.577 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.135 -8.299 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.144 -6.559 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.486 -8.432 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.296 -7.125 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.747 -6.754 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.756 -5.453 0.430 1.00 0.00 H new ATOM 590 N ASP A 38 7.404 -9.086 2.904 1.00 0.00 N ATOM 591 CA ASP A 38 7.312 -10.298 3.709 1.00 0.00 C ATOM 592 C ASP A 38 6.612 -10.018 5.035 1.00 0.00 C ATOM 593 O ASP A 38 5.970 -10.898 5.608 1.00 0.00 O ATOM 594 CB ASP A 38 8.703 -10.884 3.960 1.00 0.00 C ATOM 595 CG ASP A 38 9.338 -11.542 2.742 1.00 0.00 C ATOM 596 OD1 ASP A 38 8.639 -11.767 1.782 1.00 0.00 O ATOM 597 OD2 ASP A 38 10.538 -11.672 2.720 1.00 0.00 O ATOM 0 H ASP A 38 8.352 -8.726 2.790 1.00 0.00 H new ATOM 0 HA ASP A 38 6.720 -11.026 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.360 -10.089 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.635 -11.620 4.761 1.00 0.00 H new ATOM 602 N LEU A 39 6.741 -8.786 5.518 1.00 0.00 N ATOM 603 CA LEU A 39 6.156 -8.402 6.798 1.00 0.00 C ATOM 604 C LEU A 39 4.776 -7.785 6.603 1.00 0.00 C ATOM 605 O LEU A 39 4.041 -7.567 7.567 1.00 0.00 O ATOM 606 CB LEU A 39 7.082 -7.422 7.531 1.00 0.00 C ATOM 607 CG LEU A 39 8.467 -7.976 7.888 1.00 0.00 C ATOM 608 CD1 LEU A 39 9.318 -6.886 8.524 1.00 0.00 C ATOM 609 CD2 LEU A 39 8.314 -9.160 8.832 1.00 0.00 C ATOM 0 H LEU A 39 7.245 -8.037 5.043 1.00 0.00 H new ATOM 0 HA LEU A 39 6.042 -9.300 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.212 -6.536 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.590 -7.099 8.448 1.00 0.00 H new ATOM 0 HG LEU A 39 8.968 -8.313 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.299 -7.290 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.433 -6.059 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.832 -6.528 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.299 -9.553 9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.807 -8.837 9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.726 -9.939 8.346 1.00 0.00 H new ATOM 621 N ILE A 40 4.429 -7.506 5.350 1.00 0.00 N ATOM 622 CA ILE A 40 3.124 -6.944 5.026 1.00 0.00 C ATOM 623 C ILE A 40 2.028 -7.997 5.145 1.00 0.00 C ATOM 624 O ILE A 40 2.155 -9.104 4.620 1.00 0.00 O ATOM 625 CB ILE A 40 3.101 -6.350 3.606 1.00 0.00 C ATOM 626 CG1 ILE A 40 4.057 -5.158 3.511 1.00 0.00 C ATOM 627 CG2 ILE A 40 1.688 -5.936 3.225 1.00 0.00 C ATOM 628 CD1 ILE A 40 3.689 -4.007 4.420 1.00 0.00 C ATOM 0 H ILE A 40 5.034 -7.660 4.543 1.00 0.00 H new ATOM 0 HA ILE A 40 2.937 -6.146 5.745 1.00 0.00 H new ATOM 0 HB ILE A 40 3.434 -7.115 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.065 -5.493 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.079 -4.803 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.690 -5.518 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.033 -6.807 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.327 -5.186 3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.412 -3.201 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.694 -3.644 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.696 -4.345 5.456 1.00 0.00 H new ATOM 640 N LYS A 41 0.948 -7.645 5.834 1.00 0.00 N ATOM 641 CA LYS A 41 -0.227 -8.506 5.910 1.00 0.00 C ATOM 642 C LYS A 41 -1.490 -7.734 5.540 1.00 0.00 C ATOM 643 O LYS A 41 -1.491 -6.503 5.503 1.00 0.00 O ATOM 644 CB LYS A 41 -0.365 -9.106 7.310 1.00 0.00 C ATOM 645 CG LYS A 41 0.755 -10.063 7.697 1.00 0.00 C ATOM 646 CD LYS A 41 0.550 -10.617 9.098 1.00 0.00 C ATOM 647 CE LYS A 41 1.672 -11.565 9.490 1.00 0.00 C ATOM 648 NZ LYS A 41 1.455 -12.160 10.837 1.00 0.00 N ATOM 0 H LYS A 41 0.862 -6.768 6.348 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.097 -9.318 5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.401 -8.295 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.316 -9.634 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.798 -10.884 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.713 -9.545 7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.500 -9.795 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.405 -11.141 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.749 -12.362 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.620 -11.028 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.243 -12.800 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.408 -11.402 11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.563 -12.694 10.841 1.00 0.00 H new ATOM 662 N LYS A 42 -2.566 -8.465 5.268 1.00 0.00 N ATOM 663 CA LYS A 42 -3.809 -7.856 4.811 1.00 0.00 C ATOM 664 C LYS A 42 -4.214 -6.698 5.715 1.00 0.00 C ATOM 665 O LYS A 42 -4.154 -5.535 5.315 1.00 0.00 O ATOM 666 CB LYS A 42 -4.928 -8.898 4.754 1.00 0.00 C ATOM 667 CG LYS A 42 -4.736 -9.971 3.690 1.00 0.00 C ATOM 668 CD LYS A 42 -5.893 -10.958 3.685 1.00 0.00 C ATOM 669 CE LYS A 42 -5.682 -12.054 2.650 1.00 0.00 C ATOM 670 NZ LYS A 42 -6.802 -13.034 2.641 1.00 0.00 N ATOM 0 H LYS A 42 -2.602 -9.481 5.356 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.642 -7.465 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.009 -9.380 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.874 -8.388 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.651 -9.503 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.802 -10.503 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.997 -11.404 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.823 -10.430 3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.585 -11.605 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.747 -12.574 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.619 -13.763 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.879 -13.481 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.691 -12.543 2.417 1.00 0.00 H new ATOM 684 N ASP A 43 -4.622 -7.022 6.938 1.00 0.00 N ATOM 685 CA ASP A 43 -5.112 -6.015 7.872 1.00 0.00 C ATOM 686 C ASP A 43 -3.953 -5.316 8.576 1.00 0.00 C ATOM 687 O ASP A 43 -4.061 -4.156 8.970 1.00 0.00 O ATOM 688 CB ASP A 43 -6.052 -6.648 8.900 1.00 0.00 C ATOM 689 CG ASP A 43 -7.403 -7.072 8.341 1.00 0.00 C ATOM 690 OD1 ASP A 43 -7.727 -6.665 7.251 1.00 0.00 O ATOM 691 OD2 ASP A 43 -8.029 -7.918 8.933 1.00 0.00 O ATOM 0 H ASP A 43 -4.623 -7.974 7.305 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.668 -5.269 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.562 -7.520 9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.215 -5.938 9.711 1.00 0.00 H new ATOM 696 N ALA A 44 -2.843 -6.033 8.731 1.00 0.00 N ATOM 697 CA ALA A 44 -1.739 -5.563 9.557 1.00 0.00 C ATOM 698 C ALA A 44 -0.723 -4.787 8.725 1.00 0.00 C ATOM 699 O ALA A 44 0.389 -4.521 9.177 1.00 0.00 O ATOM 700 CB ALA A 44 -1.067 -6.733 10.257 1.00 0.00 C ATOM 0 H ALA A 44 -2.686 -6.941 8.295 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.144 -4.888 10.311 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.244 -6.366 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.792 -7.243 10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.682 -7.430 9.513 1.00 0.00 H new ATOM 706 N ALA A 45 -1.113 -4.429 7.506 1.00 0.00 N ATOM 707 CA ALA A 45 -0.239 -3.677 6.614 1.00 0.00 C ATOM 708 C ALA A 45 0.112 -2.317 7.207 1.00 0.00 C ATOM 709 O ALA A 45 -0.551 -1.841 8.129 1.00 0.00 O ATOM 710 CB ALA A 45 -0.895 -3.508 5.252 1.00 0.00 C ATOM 0 H ALA A 45 -2.029 -4.648 7.114 1.00 0.00 H new ATOM 0 HA ALA A 45 0.686 -4.240 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.231 -2.945 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.089 -4.489 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.836 -2.969 5.366 1.00 0.00 H new ATOM 716 N VAL A 46 1.159 -1.697 6.673 1.00 0.00 N ATOM 717 CA VAL A 46 1.644 -0.427 7.198 1.00 0.00 C ATOM 718 C VAL A 46 1.510 0.684 6.160 1.00 0.00 C ATOM 719 O VAL A 46 1.174 0.430 5.002 1.00 0.00 O ATOM 720 CB VAL A 46 3.114 -0.524 7.647 1.00 0.00 C ATOM 721 CG1 VAL A 46 3.263 -1.541 8.769 1.00 0.00 C ATOM 722 CG2 VAL A 46 4.006 -0.895 6.472 1.00 0.00 C ATOM 0 H VAL A 46 1.688 -2.054 5.877 1.00 0.00 H new ATOM 0 HA VAL A 46 1.027 -0.188 8.064 1.00 0.00 H new ATOM 0 HB VAL A 46 3.424 0.451 8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.308 -1.596 9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.653 -1.237 9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.935 -2.520 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.041 -0.959 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.695 -1.859 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.922 -0.133 5.697 1.00 0.00 H new ATOM 732 N THR A 47 1.774 1.917 6.582 1.00 0.00 N ATOM 733 CA THR A 47 1.640 3.070 5.704 1.00 0.00 C ATOM 734 C THR A 47 2.886 3.254 4.844 1.00 0.00 C ATOM 735 O THR A 47 3.816 2.451 4.902 1.00 0.00 O ATOM 736 CB THR A 47 1.383 4.362 6.502 1.00 0.00 C ATOM 737 OG1 THR A 47 0.959 5.402 5.610 1.00 0.00 O ATOM 738 CG2 THR A 47 2.647 4.802 7.225 1.00 0.00 C ATOM 0 H THR A 47 2.082 2.141 7.528 1.00 0.00 H new ATOM 0 HA THR A 47 0.782 2.877 5.060 1.00 0.00 H new ATOM 0 HB THR A 47 0.604 4.167 7.239 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.794 6.223 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.447 5.716 7.784 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.964 4.018 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.437 4.987 6.497 1.00 0.00 H new ATOM 746 N PHE A 48 2.897 4.316 4.045 1.00 0.00 N ATOM 747 CA PHE A 48 3.840 4.433 2.941 1.00 0.00 C ATOM 748 C PHE A 48 4.130 5.898 2.625 1.00 0.00 C ATOM 749 O PHE A 48 3.427 6.794 3.089 1.00 0.00 O ATOM 750 CB PHE A 48 3.302 3.720 1.699 1.00 0.00 C ATOM 751 CG PHE A 48 1.953 4.211 1.256 1.00 0.00 C ATOM 752 CD1 PHE A 48 0.792 3.676 1.793 1.00 0.00 C ATOM 753 CD2 PHE A 48 1.843 5.211 0.300 1.00 0.00 C ATOM 754 CE1 PHE A 48 -0.449 4.126 1.386 1.00 0.00 C ATOM 755 CE2 PHE A 48 0.602 5.664 -0.108 1.00 0.00 C ATOM 756 CZ PHE A 48 -0.543 5.122 0.434 1.00 0.00 C ATOM 0 H PHE A 48 2.262 5.108 4.143 1.00 0.00 H new ATOM 0 HA PHE A 48 4.773 3.956 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.012 3.848 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.240 2.651 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.859 2.898 2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.736 5.640 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.345 3.699 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.530 6.443 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.512 5.475 0.115 1.00 0.00 H new ATOM 766 N GLU A 49 5.170 6.131 1.830 1.00 0.00 N ATOM 767 CA GLU A 49 5.511 7.480 1.394 1.00 0.00 C ATOM 768 C GLU A 49 4.441 8.035 0.459 1.00 0.00 C ATOM 769 O GLU A 49 4.052 7.407 -0.523 1.00 0.00 O ATOM 770 CB GLU A 49 6.877 7.493 0.703 1.00 0.00 C ATOM 771 CG GLU A 49 7.367 8.878 0.307 1.00 0.00 C ATOM 772 CD GLU A 49 8.725 8.814 -0.335 1.00 0.00 C ATOM 773 OE1 GLU A 49 9.243 7.732 -0.475 1.00 0.00 O ATOM 774 OE2 GLU A 49 9.196 9.831 -0.786 1.00 0.00 O ATOM 0 H GLU A 49 5.790 5.403 1.475 1.00 0.00 H new ATOM 0 HA GLU A 49 5.561 8.118 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.611 7.037 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.825 6.870 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.657 9.334 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.409 9.517 1.189 1.00 0.00 H new ATOM 781 N PRO A 50 3.953 9.246 0.773 1.00 0.00 N ATOM 782 CA PRO A 50 2.828 9.855 0.058 1.00 0.00 C ATOM 783 C PRO A 50 3.175 10.195 -1.388 1.00 0.00 C ATOM 784 O PRO A 50 4.286 10.637 -1.683 1.00 0.00 O ATOM 785 CB PRO A 50 2.506 11.110 0.876 1.00 0.00 C ATOM 786 CG PRO A 50 3.752 11.379 1.647 1.00 0.00 C ATOM 787 CD PRO A 50 4.328 10.025 1.961 1.00 0.00 C ATOM 0 HA PRO A 50 1.978 9.177 -0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.249 11.950 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.656 10.945 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.452 11.978 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.537 11.936 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.409 10.064 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.906 9.604 2.874 1.00 0.00 H new ATOM 795 N THR A 51 2.217 9.988 -2.286 1.00 0.00 N ATOM 796 CA THR A 51 2.419 10.284 -3.699 1.00 0.00 C ATOM 797 C THR A 51 1.086 10.445 -4.423 1.00 0.00 C ATOM 798 O THR A 51 0.056 9.944 -3.968 1.00 0.00 O ATOM 799 CB THR A 51 3.241 9.184 -4.395 1.00 0.00 C ATOM 800 OG1 THR A 51 3.494 9.561 -5.755 1.00 0.00 O ATOM 801 CG2 THR A 51 2.490 7.861 -4.371 1.00 0.00 C ATOM 0 H THR A 51 1.294 9.617 -2.060 1.00 0.00 H new ATOM 0 HA THR A 51 2.972 11.222 -3.748 1.00 0.00 H new ATOM 0 HB THR A 51 4.184 9.064 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.019 8.861 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.086 7.095 -4.867 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.307 7.565 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.538 7.973 -4.890 1.00 0.00 H new ATOM 809 N THR A 52 1.112 11.147 -5.551 1.00 0.00 N ATOM 810 CA THR A 52 -0.098 11.387 -6.328 1.00 0.00 C ATOM 811 C THR A 52 0.217 11.496 -7.816 1.00 0.00 C ATOM 812 O THR A 52 1.225 12.087 -8.205 1.00 0.00 O ATOM 813 CB THR A 52 -0.819 12.668 -5.871 1.00 0.00 C ATOM 814 OG1 THR A 52 -2.031 12.830 -6.619 1.00 0.00 O ATOM 815 CG2 THR A 52 0.070 13.884 -6.083 1.00 0.00 C ATOM 0 H THR A 52 1.957 11.559 -5.947 1.00 0.00 H new ATOM 0 HA THR A 52 -0.754 10.533 -6.159 1.00 0.00 H new ATOM 0 HB THR A 52 -1.049 12.579 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.490 13.645 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.456 14.781 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.987 13.769 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.316 13.975 -7.141 1.00 0.00 H new ATOM 823 N ASN A 53 -0.650 10.924 -8.644 1.00 0.00 N ATOM 824 CA ASN A 53 -0.490 11.001 -10.092 1.00 0.00 C ATOM 825 C ASN A 53 -1.698 11.670 -10.738 1.00 0.00 C ATOM 826 O ASN A 53 -2.773 11.745 -10.141 1.00 0.00 O ATOM 827 CB ASN A 53 -0.259 9.630 -10.700 1.00 0.00 C ATOM 828 CG ASN A 53 0.944 8.917 -10.147 1.00 0.00 C ATOM 829 OD1 ASN A 53 2.089 9.335 -10.356 1.00 0.00 O ATOM 830 ND2 ASN A 53 0.696 7.800 -9.512 1.00 0.00 N ATOM 0 H ASN A 53 -1.471 10.402 -8.338 1.00 0.00 H new ATOM 0 HA ASN A 53 0.392 11.610 -10.290 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.143 9.015 -10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.143 9.736 -11.779 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.466 7.230 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.268 7.500 -9.366 1.00 0.00 H new ATOM 837 N ASN A 54 -1.516 12.155 -11.961 1.00 0.00 N ATOM 838 CA ASN A 54 -2.618 12.723 -12.731 1.00 0.00 C ATOM 839 C ASN A 54 -3.560 11.628 -13.222 1.00 0.00 C ATOM 840 O ASN A 54 -4.712 11.893 -13.568 1.00 0.00 O ATOM 841 CB ASN A 54 -2.113 13.548 -13.900 1.00 0.00 C ATOM 842 CG ASN A 54 -1.484 14.852 -13.494 1.00 0.00 C ATOM 843 OD1 ASN A 54 -1.736 15.372 -12.402 1.00 0.00 O ATOM 844 ND2 ASN A 54 -0.732 15.422 -14.401 1.00 0.00 N ATOM 0 H ASN A 54 -0.616 12.167 -12.441 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.172 13.386 -12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.384 12.962 -14.459 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.944 13.751 -14.576 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.323 16.339 -14.222 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.555 14.949 -15.287 1.00 0.00 H new ATOM 851 N LYS A 55 -3.063 10.396 -13.249 1.00 0.00 N ATOM 852 CA LYS A 55 -3.868 9.255 -13.669 1.00 0.00 C ATOM 853 C LYS A 55 -4.604 8.643 -12.481 1.00 0.00 C ATOM 854 O LYS A 55 -5.500 7.818 -12.653 1.00 0.00 O ATOM 855 CB LYS A 55 -2.991 8.200 -14.348 1.00 0.00 C ATOM 856 CG LYS A 55 -2.361 8.655 -15.657 1.00 0.00 C ATOM 857 CD LYS A 55 -1.487 7.565 -16.259 1.00 0.00 C ATOM 858 CE LYS A 55 -0.875 8.010 -17.578 1.00 0.00 C ATOM 859 NZ LYS A 55 -0.035 6.945 -18.190 1.00 0.00 N ATOM 0 H LYS A 55 -2.106 10.162 -12.985 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.608 9.610 -14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.198 7.906 -13.660 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.593 7.312 -14.538 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.144 8.928 -16.364 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.763 9.549 -15.483 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.694 7.304 -15.558 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.082 6.665 -16.417 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.669 8.288 -18.271 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.269 8.901 -17.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.363 7.289 -19.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.739 6.697 -17.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.619 6.103 -18.371 1.00 0.00 H new ATOM 873 N GLY A 56 -4.220 9.054 -11.276 1.00 0.00 N ATOM 874 CA GLY A 56 -4.899 8.586 -10.081 1.00 0.00 C ATOM 875 C GLY A 56 -3.972 8.499 -8.885 1.00 0.00 C ATOM 876 O GLY A 56 -2.756 8.642 -9.020 1.00 0.00 O ATOM 0 H GLY A 56 -3.451 9.702 -11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.725 9.259 -9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.332 7.604 -10.274 1.00 0.00 H new ATOM 880 N LEU A 57 -4.547 8.266 -7.711 1.00 0.00 N ATOM 881 CA LEU A 57 -3.762 8.138 -6.488 1.00 0.00 C ATOM 882 C LEU A 57 -3.122 6.757 -6.392 1.00 0.00 C ATOM 883 O LEU A 57 -3.728 5.754 -6.765 1.00 0.00 O ATOM 884 CB LEU A 57 -4.642 8.405 -5.260 1.00 0.00 C ATOM 885 CG LEU A 57 -5.212 9.826 -5.163 1.00 0.00 C ATOM 886 CD1 LEU A 57 -6.145 9.933 -3.964 1.00 0.00 C ATOM 887 CD2 LEU A 57 -4.072 10.826 -5.050 1.00 0.00 C ATOM 0 H LEU A 57 -5.553 8.162 -7.580 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.964 8.880 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.471 7.698 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.057 8.203 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.785 10.050 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.545 10.945 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.966 9.225 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.593 9.706 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.479 11.835 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.485 10.610 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.434 10.751 -5.930 1.00 0.00 H new ATOM 899 N SER A 58 -1.891 6.716 -5.891 1.00 0.00 N ATOM 900 CA SER A 58 -1.122 5.477 -5.856 1.00 0.00 C ATOM 901 C SER A 58 -0.299 5.383 -4.574 1.00 0.00 C ATOM 902 O SER A 58 -0.201 6.348 -3.816 1.00 0.00 O ATOM 903 CB SER A 58 -0.223 5.384 -7.074 1.00 0.00 C ATOM 904 OG SER A 58 0.765 6.377 -7.073 1.00 0.00 O ATOM 0 H SER A 58 -1.405 7.525 -5.504 1.00 0.00 H new ATOM 0 HA SER A 58 -1.819 4.639 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.250 4.402 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.826 5.473 -7.978 1.00 0.00 H new ATOM 0 HG SER A 58 1.563 6.045 -7.534 1.00 0.00 H new ATOM 910 N ALA A 59 0.290 4.216 -4.341 1.00 0.00 N ATOM 911 CA ALA A 59 1.101 3.994 -3.149 1.00 0.00 C ATOM 912 C ALA A 59 2.537 3.639 -3.521 1.00 0.00 C ATOM 913 O ALA A 59 2.776 2.889 -4.469 1.00 0.00 O ATOM 914 CB ALA A 59 0.488 2.896 -2.291 1.00 0.00 C ATOM 0 H ALA A 59 0.222 3.409 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 59 1.121 4.920 -2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.103 2.741 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.517 3.189 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.438 1.971 -2.865 1.00 0.00 H new ATOM 920 N TYR A 60 3.489 4.181 -2.769 1.00 0.00 N ATOM 921 CA TYR A 60 4.900 4.032 -3.099 1.00 0.00 C ATOM 922 C TYR A 60 5.755 4.000 -1.835 1.00 0.00 C ATOM 923 O TYR A 60 5.469 4.699 -0.862 1.00 0.00 O ATOM 924 CB TYR A 60 5.360 5.166 -4.018 1.00 0.00 C ATOM 925 CG TYR A 60 6.851 5.190 -4.264 1.00 0.00 C ATOM 926 CD1 TYR A 60 7.455 4.245 -5.081 1.00 0.00 C ATOM 927 CD2 TYR A 60 7.652 6.161 -3.681 1.00 0.00 C ATOM 928 CE1 TYR A 60 8.818 4.262 -5.308 1.00 0.00 C ATOM 929 CE2 TYR A 60 9.015 6.189 -3.901 1.00 0.00 C ATOM 930 CZ TYR A 60 9.595 5.237 -4.716 1.00 0.00 C ATOM 931 OH TYR A 60 10.952 5.261 -4.939 1.00 0.00 O ATOM 0 H TYR A 60 3.308 4.727 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 60 5.024 3.084 -3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.845 5.076 -4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.058 6.118 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.849 3.483 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.202 6.908 -3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.272 3.517 -5.945 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.624 6.951 -3.438 1.00 0.00 H new ATOM 0 HH TYR A 60 11.351 6.011 -4.450 1.00 0.00 H new ATOM 941 N ALA A 61 6.804 3.187 -1.858 1.00 0.00 N ATOM 942 CA ALA A 61 7.719 3.088 -0.728 1.00 0.00 C ATOM 943 C ALA A 61 6.971 2.746 0.557 1.00 0.00 C ATOM 944 O ALA A 61 6.951 3.533 1.503 1.00 0.00 O ATOM 945 CB ALA A 61 8.494 4.387 -0.561 1.00 0.00 C ATOM 0 H ALA A 61 7.042 2.586 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 61 8.423 2.281 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.174 4.299 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.067 4.588 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.797 5.206 -0.384 1.00 0.00 H new ATOM 951 N VAL A 62 6.357 1.568 0.582 1.00 0.00 N ATOM 952 CA VAL A 62 5.699 1.075 1.786 1.00 0.00 C ATOM 953 C VAL A 62 6.720 0.669 2.843 1.00 0.00 C ATOM 954 O VAL A 62 7.547 -0.214 2.617 1.00 0.00 O ATOM 955 CB VAL A 62 4.786 -0.126 1.479 1.00 0.00 C ATOM 956 CG1 VAL A 62 4.134 -0.639 2.755 1.00 0.00 C ATOM 957 CG2 VAL A 62 3.727 0.257 0.457 1.00 0.00 C ATOM 0 H VAL A 62 6.301 0.937 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 62 5.089 1.893 2.169 1.00 0.00 H new ATOM 0 HB VAL A 62 5.397 -0.925 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.492 -1.488 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.906 -0.952 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.536 0.155 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.091 -0.604 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.119 1.072 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.211 0.578 -0.465 1.00 0.00 H new ATOM 967 N LYS A 63 6.657 1.322 3.999 1.00 0.00 N ATOM 968 CA LYS A 63 7.730 1.240 4.983 1.00 0.00 C ATOM 969 C LYS A 63 7.255 0.532 6.248 1.00 0.00 C ATOM 970 O LYS A 63 6.332 0.992 6.920 1.00 0.00 O ATOM 971 CB LYS A 63 8.255 2.636 5.325 1.00 0.00 C ATOM 972 CG LYS A 63 8.925 3.358 4.163 1.00 0.00 C ATOM 973 CD LYS A 63 9.458 4.717 4.590 1.00 0.00 C ATOM 974 CE LYS A 63 10.102 5.451 3.424 1.00 0.00 C ATOM 975 NZ LYS A 63 10.698 6.749 3.843 1.00 0.00 N ATOM 0 H LYS A 63 5.874 1.914 4.277 1.00 0.00 H new ATOM 0 HA LYS A 63 8.542 0.658 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.426 3.245 5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.969 2.552 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.743 2.749 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.210 3.484 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.644 5.318 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.188 4.589 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.876 4.823 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.355 5.628 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.126 7.217 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.956 7.359 4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.429 6.579 4.563 1.00 0.00 H new ATOM 989 N VAL A 64 7.894 -0.590 6.567 1.00 0.00 N ATOM 990 CA VAL A 64 7.534 -1.364 7.750 1.00 0.00 C ATOM 991 C VAL A 64 8.377 -0.954 8.952 1.00 0.00 C ATOM 992 O VAL A 64 9.606 -0.973 8.897 1.00 0.00 O ATOM 993 CB VAL A 64 7.701 -2.876 7.508 1.00 0.00 C ATOM 994 CG1 VAL A 64 7.344 -3.658 8.763 1.00 0.00 C ATOM 995 CG2 VAL A 64 6.840 -3.327 6.338 1.00 0.00 C ATOM 0 H VAL A 64 8.663 -0.983 6.023 1.00 0.00 H new ATOM 0 HA VAL A 64 6.485 -1.154 7.957 1.00 0.00 H new ATOM 0 HB VAL A 64 8.745 -3.072 7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.467 -4.724 8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.000 -3.355 9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.308 -3.455 9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.971 -4.398 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.793 -3.117 6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.139 -2.790 5.438 1.00 0.00 H new ATOM 1005 N VAL A 65 7.707 -0.586 10.040 1.00 0.00 N ATOM 1006 CA VAL A 65 8.395 -0.158 11.253 1.00 0.00 C ATOM 1007 C VAL A 65 8.565 -1.319 12.226 1.00 0.00 C ATOM 1008 O VAL A 65 7.614 -2.031 12.553 1.00 0.00 O ATOM 1009 CB VAL A 65 7.639 0.985 11.957 1.00 0.00 C ATOM 1010 CG1 VAL A 65 8.335 1.361 13.256 1.00 0.00 C ATOM 1011 CG2 VAL A 65 7.532 2.196 11.043 1.00 0.00 C ATOM 0 H VAL A 65 6.689 -0.576 10.106 1.00 0.00 H new ATOM 0 HA VAL A 65 9.377 0.204 10.949 1.00 0.00 H new ATOM 0 HB VAL A 65 6.632 0.639 12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.788 2.170 13.741 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.364 0.495 13.917 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.353 1.688 13.042 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.995 2.993 11.557 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.531 2.543 10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.993 1.921 10.136 1.00 0.00 H new