USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 469 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 40 GLN : amide:sc= -1.98! K(o=-4.3!,f=-1.9) USER MOD Set 1.2: A 43 ASN : amide:sc= -2.32! K(o=-4.3!,f=-1.6) USER MOD Set 2.1: A 26 GLN : amide:sc= -1.29 K(o=-4.8,f=-3.8) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.5! C(o=-4.8!,f=-5.4!) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.85! K(o=-6!,f=-3.2) USER MOD Set 3.2: A 52 ASN : amide:sc= -3.13! C(o=-6!,f=-9.7!) USER MOD Single : A 1 VAL N :NH3+ -141:sc= -0.109 (180deg=-0.72) USER MOD Single : A 3 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -119:sc= -0.0761 (180deg=-0.54) USER MOD Single : A 6 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.98) USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.702 (180deg=-2.15!) USER MOD Single : A 17 MET CE :methyl 172:sc= -10.1! (180deg=-10.4!) USER MOD Single : A 23 ASN : amide:sc= -0.328 K(o=-0.33,f=-11!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0464 K(o=0.046,f=-4.2!) USER MOD Single : A 33 SER OG : rot 68:sc= 0.908 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 120:sc= -1.05 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -2.99! (180deg=-3.33!) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.535 -18.548 15.315 1.00 0.00 N ATOM 2 CA VAL A 1 -4.803 -18.501 14.017 1.00 0.00 C ATOM 3 C VAL A 1 -4.003 -17.200 13.943 1.00 0.00 C ATOM 4 O VAL A 1 -4.519 -16.126 14.261 1.00 0.00 O ATOM 5 CB VAL A 1 -5.809 -18.574 12.854 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.060 -18.589 11.513 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.651 -19.852 12.979 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.516 -19.518 15.690 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.079 -17.906 15.994 1.00 0.00 H new ATOM 0 H3 VAL A 1 -6.521 -18.253 15.168 1.00 0.00 H new ATOM 0 HA VAL A 1 -4.121 -19.348 13.944 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.460 -17.701 12.894 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.779 -18.641 10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.467 -17.680 11.417 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.402 -19.457 11.473 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.362 -19.901 12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.997 -20.723 12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -7.192 -19.840 13.925 1.00 0.00 H new ATOM 19 N ASP A 2 -2.745 -17.311 13.518 1.00 0.00 N ATOM 20 CA ASP A 2 -1.870 -16.146 13.399 1.00 0.00 C ATOM 21 C ASP A 2 -2.291 -15.275 12.212 1.00 0.00 C ATOM 22 O ASP A 2 -2.769 -15.787 11.196 1.00 0.00 O ATOM 23 CB ASP A 2 -0.415 -16.604 13.221 1.00 0.00 C ATOM 24 CG ASP A 2 -0.200 -17.174 11.817 1.00 0.00 C ATOM 25 OD1 ASP A 2 -0.713 -18.248 11.544 1.00 0.00 O ATOM 26 OD2 ASP A 2 0.464 -16.521 11.031 1.00 0.00 O ATOM 0 H ASP A 2 -2.310 -18.194 13.251 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.953 -15.554 14.310 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.260 -15.764 13.386 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.172 -17.360 13.968 1.00 0.00 H new ATOM 31 N ASN A 3 -2.102 -13.963 12.351 1.00 0.00 N ATOM 32 CA ASN A 3 -2.456 -13.022 11.290 1.00 0.00 C ATOM 33 C ASN A 3 -1.198 -12.496 10.608 1.00 0.00 C ATOM 34 O ASN A 3 -0.489 -11.649 11.158 1.00 0.00 O ATOM 35 CB ASN A 3 -3.252 -11.849 11.871 1.00 0.00 C ATOM 36 CG ASN A 3 -4.482 -12.361 12.619 1.00 0.00 C ATOM 37 OD1 ASN A 3 -4.765 -11.911 13.729 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.235 -13.279 12.076 1.00 0.00 N ATOM 0 H ASN A 3 -1.707 -13.529 13.185 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.068 -13.544 10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.621 -11.272 12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.559 -11.177 11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.057 -13.623 12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.001 -13.652 11.156 1.00 0.00 H new ATOM 45 N LYS A 4 -0.924 -13.010 9.412 1.00 0.00 N ATOM 46 CA LYS A 4 0.256 -12.598 8.656 1.00 0.00 C ATOM 47 C LYS A 4 0.020 -11.264 7.960 1.00 0.00 C ATOM 48 O LYS A 4 0.870 -10.784 7.204 1.00 0.00 O ATOM 49 CB LYS A 4 0.593 -13.670 7.619 1.00 0.00 C ATOM 50 CG LYS A 4 0.718 -15.020 8.327 1.00 0.00 C ATOM 51 CD LYS A 4 1.051 -16.117 7.318 1.00 0.00 C ATOM 52 CE LYS A 4 0.998 -17.473 8.024 1.00 0.00 C ATOM 53 NZ LYS A 4 -0.413 -17.796 8.387 1.00 0.00 N ATOM 0 H LYS A 4 -1.501 -13.710 8.946 1.00 0.00 H new ATOM 0 HA LYS A 4 1.089 -12.478 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.184 -13.715 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.525 -13.423 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.496 -14.968 9.089 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.214 -15.258 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.342 -16.095 6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.041 -15.951 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.403 -18.248 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.619 -17.452 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.493 -17.892 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.039 -17.032 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.692 -18.689 7.934 1.00 0.00 H new ATOM 67 N PHE A 5 -1.143 -10.682 8.220 1.00 0.00 N ATOM 68 CA PHE A 5 -1.521 -9.412 7.622 1.00 0.00 C ATOM 69 C PHE A 5 -0.524 -8.317 7.932 1.00 0.00 C ATOM 70 O PHE A 5 -0.014 -7.671 7.030 1.00 0.00 O ATOM 71 CB PHE A 5 -2.848 -8.953 8.214 1.00 0.00 C ATOM 72 CG PHE A 5 -4.020 -9.582 7.514 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.043 -10.961 7.253 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.100 -8.774 7.138 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.154 -11.522 6.608 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.202 -9.334 6.498 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.233 -10.703 6.231 1.00 0.00 C ATOM 0 H PHE A 5 -1.845 -11.075 8.847 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.573 -9.574 6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.880 -9.205 9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.922 -7.868 8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.212 -11.585 7.547 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.078 -7.714 7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.181 -12.582 6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.033 -8.709 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.088 -11.135 5.733 1.00 0.00 H new ATOM 87 N ASN A 6 -0.292 -8.090 9.223 1.00 0.00 N ATOM 88 CA ASN A 6 0.601 -7.022 9.649 1.00 0.00 C ATOM 89 C ASN A 6 1.966 -7.149 9.006 1.00 0.00 C ATOM 90 O ASN A 6 2.477 -6.182 8.471 1.00 0.00 O ATOM 91 CB ASN A 6 0.760 -7.054 11.165 1.00 0.00 C ATOM 92 CG ASN A 6 -0.597 -6.873 11.847 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.390 -6.021 11.446 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.912 -7.633 12.859 1.00 0.00 N ATOM 0 H ASN A 6 -0.707 -8.627 9.984 1.00 0.00 H new ATOM 0 HA ASN A 6 0.158 -6.076 9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.204 -8.001 11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.442 -6.265 11.482 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.816 -7.522 13.319 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.255 -8.339 13.191 1.00 0.00 H new ATOM 101 N LYS A 7 2.528 -8.350 9.033 1.00 0.00 N ATOM 102 CA LYS A 7 3.831 -8.598 8.433 1.00 0.00 C ATOM 103 C LYS A 7 3.802 -8.252 6.951 1.00 0.00 C ATOM 104 O LYS A 7 4.711 -7.597 6.444 1.00 0.00 O ATOM 105 CB LYS A 7 4.186 -10.067 8.657 1.00 0.00 C ATOM 106 CG LYS A 7 5.621 -10.374 8.196 1.00 0.00 C ATOM 107 CD LYS A 7 5.658 -10.675 6.690 1.00 0.00 C ATOM 108 CE LYS A 7 4.767 -11.883 6.348 1.00 0.00 C ATOM 109 NZ LYS A 7 3.571 -11.420 5.585 1.00 0.00 N ATOM 0 H LYS A 7 2.100 -9.169 9.465 1.00 0.00 H new ATOM 0 HA LYS A 7 4.591 -7.969 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.082 -10.311 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.484 -10.700 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.268 -9.526 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.012 -11.227 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.322 -9.801 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.684 -10.876 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.329 -12.608 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.455 -12.389 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.206 -12.201 5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.834 -11.110 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.838 -10.626 4.969 1.00 0.00 H new ATOM 123 N GLU A 8 2.740 -8.672 6.277 1.00 0.00 N ATOM 124 CA GLU A 8 2.573 -8.397 4.856 1.00 0.00 C ATOM 125 C GLU A 8 2.316 -6.907 4.644 1.00 0.00 C ATOM 126 O GLU A 8 2.742 -6.315 3.652 1.00 0.00 O ATOM 127 CB GLU A 8 1.381 -9.226 4.362 1.00 0.00 C ATOM 128 CG GLU A 8 1.434 -9.406 2.847 1.00 0.00 C ATOM 129 CD GLU A 8 1.403 -10.893 2.496 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.453 -11.514 2.543 1.00 0.00 O ATOM 131 OE2 GLU A 8 0.330 -11.392 2.195 1.00 0.00 O ATOM 0 H GLU A 8 1.978 -9.207 6.694 1.00 0.00 H new ATOM 0 HA GLU A 8 3.472 -8.664 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.385 -10.201 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.450 -8.734 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.590 -8.897 2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.340 -8.949 2.450 1.00 0.00 H new ATOM 138 N ARG A 9 1.604 -6.336 5.604 1.00 0.00 N ATOM 139 CA ARG A 9 1.235 -4.940 5.605 1.00 0.00 C ATOM 140 C ARG A 9 2.402 -4.029 5.954 1.00 0.00 C ATOM 141 O ARG A 9 2.458 -2.929 5.457 1.00 0.00 O ATOM 142 CB ARG A 9 0.066 -4.716 6.569 1.00 0.00 C ATOM 143 CG ARG A 9 -1.207 -5.291 5.935 1.00 0.00 C ATOM 144 CD ARG A 9 -2.313 -5.450 6.975 1.00 0.00 C ATOM 145 NE ARG A 9 -2.824 -4.144 7.378 1.00 0.00 N ATOM 146 CZ ARG A 9 -3.261 -3.926 8.613 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.413 -3.855 9.600 1.00 0.00 N ATOM 148 NH2 ARG A 9 -4.536 -3.786 8.837 1.00 0.00 N ATOM 0 H ARG A 9 1.262 -6.846 6.418 1.00 0.00 H new ATOM 0 HA ARG A 9 0.929 -4.678 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.265 -5.201 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.059 -3.652 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.547 -4.634 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.987 -6.258 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.123 -6.054 6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.929 -5.982 7.845 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.846 -3.384 6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.415 -3.967 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.748 -3.688 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.199 -3.844 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.872 -3.619 9.785 1.00 0.00 H new ATOM 162 N VAL A 10 3.318 -4.480 6.817 1.00 0.00 N ATOM 163 CA VAL A 10 4.466 -3.645 7.210 1.00 0.00 C ATOM 164 C VAL A 10 5.282 -3.359 5.981 1.00 0.00 C ATOM 165 O VAL A 10 5.687 -2.231 5.694 1.00 0.00 O ATOM 166 CB VAL A 10 5.421 -4.350 8.193 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.485 -3.339 8.668 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.676 -4.926 9.401 1.00 0.00 C ATOM 0 H VAL A 10 3.292 -5.402 7.252 1.00 0.00 H new ATOM 0 HA VAL A 10 4.057 -2.755 7.687 1.00 0.00 H new ATOM 0 HB VAL A 10 5.892 -5.184 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.166 -3.828 9.364 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.046 -2.971 7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.995 -2.503 9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.387 -5.414 10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.171 -4.121 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.939 -5.654 9.061 1.00 0.00 H new ATOM 178 N ILE A 11 5.520 -4.437 5.279 1.00 0.00 N ATOM 179 CA ILE A 11 6.285 -4.414 4.073 1.00 0.00 C ATOM 180 C ILE A 11 5.602 -3.519 3.058 1.00 0.00 C ATOM 181 O ILE A 11 6.224 -2.668 2.434 1.00 0.00 O ATOM 182 CB ILE A 11 6.339 -5.848 3.546 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.023 -6.757 4.584 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.094 -5.901 2.220 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.792 -8.224 4.204 1.00 0.00 C ATOM 0 H ILE A 11 5.181 -5.364 5.538 1.00 0.00 H new ATOM 0 HA ILE A 11 7.289 -4.030 4.253 1.00 0.00 H new ATOM 0 HB ILE A 11 5.322 -6.201 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.091 -6.544 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.622 -6.559 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.123 -6.929 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.587 -5.273 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.112 -5.539 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.275 -8.870 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.722 -8.431 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.214 -8.415 3.218 1.00 0.00 H new ATOM 197 N ALA A 12 4.311 -3.760 2.908 1.00 0.00 N ATOM 198 CA ALA A 12 3.482 -3.044 1.959 1.00 0.00 C ATOM 199 C ALA A 12 3.198 -1.601 2.357 1.00 0.00 C ATOM 200 O ALA A 12 3.345 -0.698 1.537 1.00 0.00 O ATOM 201 CB ALA A 12 2.184 -3.798 1.853 1.00 0.00 C ATOM 0 H ALA A 12 3.806 -4.464 3.447 1.00 0.00 H new ATOM 0 HA ALA A 12 4.017 -2.990 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.526 -3.292 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.380 -4.812 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.705 -3.836 2.831 1.00 0.00 H new ATOM 207 N ILE A 13 2.800 -1.380 3.606 1.00 0.00 N ATOM 208 CA ILE A 13 2.526 -0.037 4.072 1.00 0.00 C ATOM 209 C ILE A 13 3.805 0.759 3.954 1.00 0.00 C ATOM 210 O ILE A 13 3.801 1.918 3.576 1.00 0.00 O ATOM 211 CB ILE A 13 2.041 -0.055 5.536 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.506 1.344 5.900 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.196 -0.457 6.477 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.914 1.734 7.321 1.00 0.00 C ATOM 0 H ILE A 13 2.663 -2.111 4.304 1.00 0.00 H new ATOM 0 HA ILE A 13 1.737 0.415 3.471 1.00 0.00 H new ATOM 0 HB ILE A 13 1.243 -0.789 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.890 2.079 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.419 1.356 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.840 -0.466 7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.555 -1.451 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.010 0.261 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.524 2.725 7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.508 1.010 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.001 1.745 7.397 1.00 0.00 H new ATOM 226 N GLY A 14 4.903 0.086 4.258 1.00 0.00 N ATOM 227 CA GLY A 14 6.205 0.680 4.179 1.00 0.00 C ATOM 228 C GLY A 14 6.520 1.008 2.727 1.00 0.00 C ATOM 229 O GLY A 14 7.117 2.047 2.435 1.00 0.00 O ATOM 0 H GLY A 14 4.905 -0.887 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.242 1.585 4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.954 -0.003 4.580 1.00 0.00 H new ATOM 233 N GLU A 15 6.094 0.120 1.807 1.00 0.00 N ATOM 234 CA GLU A 15 6.326 0.354 0.389 1.00 0.00 C ATOM 235 C GLU A 15 5.455 1.502 -0.111 1.00 0.00 C ATOM 236 O GLU A 15 5.913 2.385 -0.835 1.00 0.00 O ATOM 237 CB GLU A 15 5.921 -0.887 -0.421 1.00 0.00 C ATOM 238 CG GLU A 15 6.868 -2.066 -0.176 1.00 0.00 C ATOM 239 CD GLU A 15 7.653 -2.380 -1.453 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.617 -1.679 -1.719 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.273 -3.307 -2.149 1.00 0.00 O ATOM 0 H GLU A 15 5.599 -0.745 2.025 1.00 0.00 H new ATOM 0 HA GLU A 15 7.384 0.584 0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.904 -1.177 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.915 -0.641 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.556 -1.828 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.299 -2.942 0.136 1.00 0.00 H new ATOM 248 N ILE A 16 4.182 1.441 0.265 1.00 0.00 N ATOM 249 CA ILE A 16 3.201 2.427 -0.146 1.00 0.00 C ATOM 250 C ILE A 16 3.392 3.792 0.521 1.00 0.00 C ATOM 251 O ILE A 16 3.219 4.833 -0.114 1.00 0.00 O ATOM 252 CB ILE A 16 1.804 1.834 0.062 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.614 0.803 -1.054 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.680 2.895 -0.007 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.448 -0.111 -0.751 1.00 0.00 C ATOM 0 H ILE A 16 3.806 0.705 0.863 1.00 0.00 H new ATOM 0 HA ILE A 16 3.338 2.644 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 16 1.737 1.396 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.444 1.314 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.523 0.213 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.285 2.413 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.840 3.645 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.693 3.376 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.333 -0.834 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.633 -0.638 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.464 0.480 -0.661 1.00 0.00 H new ATOM 267 N MET A 17 3.739 3.785 1.796 1.00 0.00 N ATOM 268 CA MET A 17 3.948 5.029 2.532 1.00 0.00 C ATOM 269 C MET A 17 5.159 5.788 1.971 1.00 0.00 C ATOM 270 O MET A 17 5.284 6.999 2.162 1.00 0.00 O ATOM 271 CB MET A 17 4.124 4.732 4.029 1.00 0.00 C ATOM 272 CG MET A 17 2.765 4.336 4.638 1.00 0.00 C ATOM 273 SD MET A 17 1.642 5.754 4.690 1.00 0.00 S ATOM 274 CE MET A 17 0.091 4.805 4.660 1.00 0.00 C ATOM 0 H MET A 17 3.883 2.938 2.345 1.00 0.00 H new ATOM 0 HA MET A 17 3.071 5.665 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.845 3.927 4.168 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.522 5.609 4.540 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.318 3.535 4.050 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.913 3.947 5.646 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.750 5.477 4.828 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.020 4.320 3.690 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.113 4.048 5.444 1.00 0.00 H new ATOM 284 N ARG A 18 6.035 5.063 1.261 1.00 0.00 N ATOM 285 CA ARG A 18 7.223 5.657 0.650 1.00 0.00 C ATOM 286 C ARG A 18 6.829 6.570 -0.510 1.00 0.00 C ATOM 287 O ARG A 18 7.477 7.587 -0.764 1.00 0.00 O ATOM 288 CB ARG A 18 8.138 4.537 0.137 1.00 0.00 C ATOM 289 CG ARG A 18 9.366 5.125 -0.569 1.00 0.00 C ATOM 290 CD ARG A 18 10.210 3.987 -1.147 1.00 0.00 C ATOM 291 NE ARG A 18 11.432 4.517 -1.749 1.00 0.00 N ATOM 292 CZ ARG A 18 11.416 5.103 -2.942 1.00 0.00 C ATOM 293 NH1 ARG A 18 11.055 6.349 -3.052 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.762 4.429 -4.002 1.00 0.00 N ATOM 0 H ARG A 18 5.939 4.061 1.098 1.00 0.00 H new ATOM 0 HA ARG A 18 7.747 6.253 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.456 3.910 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.587 3.897 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.053 5.801 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.958 5.711 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.463 3.277 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.635 3.442 -1.895 1.00 0.00 H new ATOM 0 HE ARG A 18 12.314 4.436 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.784 6.877 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.043 6.798 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.045 3.453 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.750 4.878 -4.918 1.00 0.00 H new ATOM 308 N LEU A 19 5.776 6.161 -1.215 1.00 0.00 N ATOM 309 CA LEU A 19 5.267 6.879 -2.380 1.00 0.00 C ATOM 310 C LEU A 19 5.195 8.395 -2.135 1.00 0.00 C ATOM 311 O LEU A 19 4.350 8.871 -1.373 1.00 0.00 O ATOM 312 CB LEU A 19 3.897 6.301 -2.729 1.00 0.00 C ATOM 313 CG LEU A 19 4.029 4.768 -2.853 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.670 4.114 -3.118 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.013 4.443 -3.977 1.00 0.00 C ATOM 0 H LEU A 19 5.249 5.317 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 19 5.951 6.746 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.170 6.557 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.533 6.727 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 19 4.404 4.366 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.796 3.034 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.991 4.339 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.254 4.503 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.113 3.362 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.643 4.857 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.985 4.878 -3.746 1.00 0.00 H new ATOM 327 N PRO A 20 6.099 9.147 -2.744 1.00 0.00 N ATOM 328 CA PRO A 20 6.185 10.631 -2.571 1.00 0.00 C ATOM 329 C PRO A 20 5.091 11.419 -3.292 1.00 0.00 C ATOM 330 O PRO A 20 4.941 12.617 -3.038 1.00 0.00 O ATOM 331 CB PRO A 20 7.546 11.019 -3.175 1.00 0.00 C ATOM 332 CG PRO A 20 8.179 9.772 -3.705 1.00 0.00 C ATOM 333 CD PRO A 20 7.140 8.658 -3.665 1.00 0.00 C ATOM 0 HA PRO A 20 6.065 10.873 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.416 11.751 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.182 11.480 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.531 9.928 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.049 9.503 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.731 8.463 -4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.575 7.724 -3.310 1.00 0.00 H new ATOM 341 N ASN A 21 4.360 10.786 -4.216 1.00 0.00 N ATOM 342 CA ASN A 21 3.338 11.527 -4.970 1.00 0.00 C ATOM 343 C ASN A 21 1.969 11.417 -4.324 1.00 0.00 C ATOM 344 O ASN A 21 1.408 12.421 -3.881 1.00 0.00 O ATOM 345 CB ASN A 21 3.291 11.047 -6.432 1.00 0.00 C ATOM 346 CG ASN A 21 4.695 11.121 -7.036 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.462 12.032 -6.721 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.078 10.225 -7.892 1.00 0.00 N ATOM 0 H ASN A 21 4.449 9.799 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 21 3.620 12.580 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.916 10.024 -6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.602 11.666 -7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.011 10.277 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.446 9.469 -8.156 1.00 0.00 H new ATOM 355 N LEU A 22 1.444 10.200 -4.288 1.00 0.00 N ATOM 356 CA LEU A 22 0.120 9.917 -3.721 1.00 0.00 C ATOM 357 C LEU A 22 -0.237 10.794 -2.538 1.00 0.00 C ATOM 358 O LEU A 22 0.615 11.141 -1.714 1.00 0.00 O ATOM 359 CB LEU A 22 0.080 8.475 -3.246 1.00 0.00 C ATOM 360 CG LEU A 22 0.200 7.552 -4.444 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.729 6.209 -3.977 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.172 7.377 -5.081 1.00 0.00 C ATOM 0 H LEU A 22 1.921 9.374 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.599 10.117 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.893 8.288 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.851 8.281 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 22 0.884 7.976 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.819 5.537 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.707 6.344 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.041 5.780 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.091 6.714 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.858 6.944 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.550 8.347 -5.404 1.00 0.00 H new ATOM 374 N ASN A 23 -1.527 11.079 -2.428 1.00 0.00 N ATOM 375 CA ASN A 23 -2.033 11.846 -1.308 1.00 0.00 C ATOM 376 C ASN A 23 -2.241 10.870 -0.176 1.00 0.00 C ATOM 377 O ASN A 23 -2.332 9.663 -0.414 1.00 0.00 O ATOM 378 CB ASN A 23 -3.344 12.550 -1.682 1.00 0.00 C ATOM 379 CG ASN A 23 -4.250 11.601 -2.462 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.840 10.698 -1.884 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.383 11.750 -3.750 1.00 0.00 N ATOM 0 H ASN A 23 -2.237 10.790 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.332 12.628 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.853 12.890 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.131 13.435 -2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.980 11.113 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.890 12.503 -4.230 1.00 0.00 H new ATOM 388 N SER A 24 -2.291 11.366 1.047 1.00 0.00 N ATOM 389 CA SER A 24 -2.452 10.478 2.183 1.00 0.00 C ATOM 390 C SER A 24 -3.622 9.533 1.986 1.00 0.00 C ATOM 391 O SER A 24 -3.556 8.396 2.393 1.00 0.00 O ATOM 392 CB SER A 24 -2.664 11.261 3.462 1.00 0.00 C ATOM 393 OG SER A 24 -3.789 12.120 3.319 1.00 0.00 O ATOM 0 H SER A 24 -2.224 12.358 1.277 1.00 0.00 H new ATOM 0 HA SER A 24 -1.533 9.897 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.820 10.577 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.774 11.847 3.693 1.00 0.00 H new ATOM 0 HG SER A 24 -3.924 12.623 4.149 1.00 0.00 H new ATOM 399 N LEU A 25 -4.683 10.005 1.357 1.00 0.00 N ATOM 400 CA LEU A 25 -5.847 9.164 1.136 1.00 0.00 C ATOM 401 C LEU A 25 -5.499 7.989 0.273 1.00 0.00 C ATOM 402 O LEU A 25 -5.829 6.875 0.620 1.00 0.00 O ATOM 403 CB LEU A 25 -6.946 9.947 0.449 1.00 0.00 C ATOM 404 CG LEU A 25 -7.263 11.239 1.210 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.275 12.357 0.840 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.661 11.679 0.809 1.00 0.00 C ATOM 0 H LEU A 25 -4.764 10.955 0.994 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.189 8.817 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.643 10.187 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.844 9.333 0.378 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.188 11.053 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.524 13.261 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.261 12.045 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.338 12.559 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.918 12.599 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.693 11.855 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.377 10.900 1.070 1.00 0.00 H new ATOM 418 N GLN A 26 -4.814 8.242 -0.836 1.00 0.00 N ATOM 419 CA GLN A 26 -4.408 7.166 -1.715 1.00 0.00 C ATOM 420 C GLN A 26 -3.427 6.286 -0.997 1.00 0.00 C ATOM 421 O GLN A 26 -3.532 5.069 -1.013 1.00 0.00 O ATOM 422 CB GLN A 26 -3.753 7.709 -2.959 1.00 0.00 C ATOM 423 CG GLN A 26 -4.825 8.264 -3.894 1.00 0.00 C ATOM 424 CD GLN A 26 -5.625 7.120 -4.515 1.00 0.00 C ATOM 425 OE1 GLN A 26 -6.806 6.951 -4.213 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.046 6.319 -5.365 1.00 0.00 N ATOM 0 H GLN A 26 -4.533 9.174 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.294 6.599 -2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.042 8.493 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.189 6.922 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.492 8.927 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.360 8.861 -4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.067 6.461 -5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.572 5.550 -5.781 1.00 0.00 H new ATOM 435 N VAL A 27 -2.499 6.941 -0.326 1.00 0.00 N ATOM 436 CA VAL A 27 -1.489 6.264 0.447 1.00 0.00 C ATOM 437 C VAL A 27 -2.187 5.373 1.462 1.00 0.00 C ATOM 438 O VAL A 27 -1.831 4.212 1.654 1.00 0.00 O ATOM 439 CB VAL A 27 -0.650 7.352 1.149 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.151 6.797 2.319 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.319 7.989 0.145 1.00 0.00 C ATOM 0 H VAL A 27 -2.429 7.958 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.840 5.643 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.347 8.095 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.725 7.600 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.529 6.368 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.832 6.025 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.909 8.757 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.984 7.223 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.246 8.440 -0.670 1.00 0.00 H new ATOM 451 N VAL A 28 -3.211 5.943 2.069 1.00 0.00 N ATOM 452 CA VAL A 28 -4.031 5.238 3.041 1.00 0.00 C ATOM 453 C VAL A 28 -4.930 4.222 2.368 1.00 0.00 C ATOM 454 O VAL A 28 -5.214 3.155 2.910 1.00 0.00 O ATOM 455 CB VAL A 28 -4.805 6.205 3.913 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.595 5.401 4.949 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.781 7.088 4.631 1.00 0.00 C ATOM 0 H VAL A 28 -3.499 6.907 1.903 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.366 4.682 3.702 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.492 6.812 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.159 6.083 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.284 4.728 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.906 4.819 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.301 7.801 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.126 6.464 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.187 7.628 3.894 1.00 0.00 H new ATOM 467 N ALA A 29 -5.380 4.587 1.179 1.00 0.00 N ATOM 468 CA ALA A 29 -6.254 3.754 0.384 1.00 0.00 C ATOM 469 C ALA A 29 -5.605 2.420 0.225 1.00 0.00 C ATOM 470 O ALA A 29 -6.253 1.372 0.242 1.00 0.00 O ATOM 471 CB ALA A 29 -6.393 4.373 -0.992 1.00 0.00 C ATOM 0 H ALA A 29 -5.145 5.477 0.739 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.229 3.661 0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.050 3.755 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.817 5.373 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.412 4.437 -1.463 1.00 0.00 H new ATOM 477 N PHE A 30 -4.298 2.485 0.097 1.00 0.00 N ATOM 478 CA PHE A 30 -3.520 1.324 -0.029 1.00 0.00 C ATOM 479 C PHE A 30 -3.441 0.622 1.281 1.00 0.00 C ATOM 480 O PHE A 30 -3.539 -0.595 1.302 1.00 0.00 O ATOM 481 CB PHE A 30 -2.151 1.697 -0.492 1.00 0.00 C ATOM 482 CG PHE A 30 -2.210 1.883 -1.967 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.411 0.784 -2.795 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.106 3.154 -2.497 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.517 0.965 -4.166 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.207 3.347 -3.856 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.422 2.250 -4.707 1.00 0.00 C ATOM 0 H PHE A 30 -3.767 3.356 0.080 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.979 0.655 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.818 2.613 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.434 0.918 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.484 -0.207 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.945 3.999 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.673 0.115 -4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.121 4.342 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.513 2.399 -5.773 1.00 0.00 H new ATOM 497 N ILE A 31 -3.312 1.385 2.386 1.00 0.00 N ATOM 498 CA ILE A 31 -3.262 0.728 3.689 1.00 0.00 C ATOM 499 C ILE A 31 -4.515 -0.113 3.802 1.00 0.00 C ATOM 500 O ILE A 31 -4.507 -1.232 4.321 1.00 0.00 O ATOM 501 CB ILE A 31 -3.302 1.713 4.865 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.142 2.697 4.816 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.224 0.930 6.188 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.355 3.748 5.916 1.00 0.00 C ATOM 0 H ILE A 31 -3.244 2.403 2.398 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.330 0.165 3.743 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.235 2.273 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.196 2.177 4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.091 3.176 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.252 1.627 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.070 0.246 6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.294 0.362 6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.534 4.464 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.296 4.270 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.387 3.256 6.888 1.00 0.00 H new ATOM 516 N ASN A 32 -5.594 0.473 3.290 1.00 0.00 N ATOM 517 CA ASN A 32 -6.889 -0.166 3.300 1.00 0.00 C ATOM 518 C ASN A 32 -6.917 -1.388 2.392 1.00 0.00 C ATOM 519 O ASN A 32 -7.484 -2.413 2.752 1.00 0.00 O ATOM 520 CB ASN A 32 -7.937 0.857 2.857 1.00 0.00 C ATOM 521 CG ASN A 32 -8.416 1.683 4.048 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.615 1.901 4.212 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.543 2.165 4.891 1.00 0.00 N ATOM 0 H ASN A 32 -5.587 1.398 2.861 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.108 -0.515 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.513 1.515 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.783 0.345 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.856 2.723 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.549 1.984 4.755 1.00 0.00 H new ATOM 530 N SER A 33 -6.303 -1.282 1.218 1.00 0.00 N ATOM 531 CA SER A 33 -6.283 -2.395 0.287 1.00 0.00 C ATOM 532 C SER A 33 -5.521 -3.586 0.868 1.00 0.00 C ATOM 533 O SER A 33 -5.874 -4.738 0.610 1.00 0.00 O ATOM 534 CB SER A 33 -5.645 -1.955 -1.019 1.00 0.00 C ATOM 535 OG SER A 33 -6.286 -0.776 -1.487 1.00 0.00 O ATOM 0 H SER A 33 -5.819 -0.445 0.895 1.00 0.00 H new ATOM 0 HA SER A 33 -7.310 -2.710 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.581 -1.769 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.730 -2.747 -1.763 1.00 0.00 H new ATOM 0 HG SER A 33 -6.087 -0.033 -0.880 1.00 0.00 H new ATOM 541 N LEU A 34 -4.462 -3.301 1.635 1.00 0.00 N ATOM 542 CA LEU A 34 -3.646 -4.383 2.229 1.00 0.00 C ATOM 543 C LEU A 34 -4.494 -5.270 3.137 1.00 0.00 C ATOM 544 O LEU A 34 -4.420 -6.493 3.069 1.00 0.00 O ATOM 545 CB LEU A 34 -2.489 -3.850 3.101 1.00 0.00 C ATOM 546 CG LEU A 34 -1.837 -2.590 2.527 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.549 -2.274 3.291 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.502 -2.775 1.047 1.00 0.00 C ATOM 0 H LEU A 34 -4.150 -2.356 1.859 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.246 -4.938 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.865 -3.634 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.733 -4.628 3.206 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.545 -1.767 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.091 -1.376 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.781 -2.110 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.144 -3.110 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.040 -1.866 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.811 -3.610 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.416 -2.981 0.490 1.00 0.00 H new ATOM 560 N ARG A 35 -5.288 -4.639 3.997 1.00 0.00 N ATOM 561 CA ARG A 35 -6.143 -5.378 4.925 1.00 0.00 C ATOM 562 C ARG A 35 -7.295 -6.020 4.170 1.00 0.00 C ATOM 563 O ARG A 35 -7.725 -7.128 4.491 1.00 0.00 O ATOM 564 CB ARG A 35 -6.631 -4.446 6.046 1.00 0.00 C ATOM 565 CG ARG A 35 -7.960 -3.770 5.686 1.00 0.00 C ATOM 566 CD ARG A 35 -8.235 -2.620 6.658 1.00 0.00 C ATOM 567 NE ARG A 35 -9.584 -2.103 6.451 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.808 -1.040 5.688 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.798 -1.156 4.391 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.037 0.116 6.237 1.00 0.00 N ATOM 0 H ARG A 35 -5.358 -3.624 4.072 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.572 -6.180 5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.751 -5.017 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.876 -3.684 6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.922 -3.394 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.772 -4.496 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.123 -2.967 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.505 -1.824 6.509 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.372 -2.568 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.618 -2.064 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.970 -0.339 3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.044 0.206 7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.209 0.933 5.652 1.00 0.00 H new ATOM 584 N ASP A 36 -7.760 -5.319 3.141 1.00 0.00 N ATOM 585 CA ASP A 36 -8.831 -5.816 2.301 1.00 0.00 C ATOM 586 C ASP A 36 -8.312 -7.008 1.509 1.00 0.00 C ATOM 587 O ASP A 36 -9.087 -7.835 1.025 1.00 0.00 O ATOM 588 CB ASP A 36 -9.305 -4.702 1.350 1.00 0.00 C ATOM 589 CG ASP A 36 -9.953 -3.541 2.125 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.340 -3.737 3.270 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.049 -2.465 1.559 1.00 0.00 O ATOM 0 H ASP A 36 -7.406 -4.401 2.872 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.678 -6.127 2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.459 -4.329 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.021 -5.110 0.637 1.00 0.00 H new ATOM 596 N ASP A 37 -6.979 -7.075 1.390 1.00 0.00 N ATOM 597 CA ASP A 37 -6.327 -8.156 0.658 1.00 0.00 C ATOM 598 C ASP A 37 -4.802 -8.132 0.881 1.00 0.00 C ATOM 599 O ASP A 37 -4.076 -7.441 0.159 1.00 0.00 O ATOM 600 CB ASP A 37 -6.635 -8.015 -0.839 1.00 0.00 C ATOM 601 CG ASP A 37 -6.378 -9.339 -1.567 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.331 -9.929 -1.345 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.230 -9.742 -2.339 1.00 0.00 O ATOM 0 H ASP A 37 -6.337 -6.392 1.792 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.710 -9.107 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.674 -7.714 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.015 -7.229 -1.271 1.00 0.00 H new ATOM 608 N PRO A 38 -4.303 -8.874 1.853 1.00 0.00 N ATOM 609 CA PRO A 38 -2.840 -8.932 2.142 1.00 0.00 C ATOM 610 C PRO A 38 -2.083 -9.662 1.036 1.00 0.00 C ATOM 611 O PRO A 38 -0.934 -9.345 0.743 1.00 0.00 O ATOM 612 CB PRO A 38 -2.719 -9.684 3.474 1.00 0.00 C ATOM 613 CG PRO A 38 -4.106 -10.021 3.918 1.00 0.00 C ATOM 614 CD PRO A 38 -5.069 -9.732 2.765 1.00 0.00 C ATOM 0 HA PRO A 38 -2.405 -7.934 2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.123 -10.589 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.215 -9.068 4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.166 -11.070 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.377 -9.432 4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.386 -10.651 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.971 -9.232 3.117 1.00 0.00 H new ATOM 622 N SER A 39 -2.752 -10.628 0.409 1.00 0.00 N ATOM 623 CA SER A 39 -2.149 -11.383 -0.682 1.00 0.00 C ATOM 624 C SER A 39 -1.819 -10.430 -1.817 1.00 0.00 C ATOM 625 O SER A 39 -0.853 -10.631 -2.557 1.00 0.00 O ATOM 626 CB SER A 39 -3.110 -12.470 -1.173 1.00 0.00 C ATOM 627 OG SER A 39 -3.547 -13.247 -0.065 1.00 0.00 O ATOM 0 H SER A 39 -3.707 -10.904 0.638 1.00 0.00 H new ATOM 0 HA SER A 39 -1.238 -11.865 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.965 -12.016 -1.673 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.613 -13.107 -1.905 1.00 0.00 H new ATOM 0 HG SER A 39 -4.164 -13.942 -0.376 1.00 0.00 H new ATOM 633 N GLN A 40 -2.634 -9.380 -1.927 1.00 0.00 N ATOM 634 CA GLN A 40 -2.443 -8.371 -2.950 1.00 0.00 C ATOM 635 C GLN A 40 -1.620 -7.203 -2.416 1.00 0.00 C ATOM 636 O GLN A 40 -1.427 -6.220 -3.119 1.00 0.00 O ATOM 637 CB GLN A 40 -3.800 -7.859 -3.453 1.00 0.00 C ATOM 638 CG GLN A 40 -4.529 -8.968 -4.227 1.00 0.00 C ATOM 639 CD GLN A 40 -4.047 -9.007 -5.675 1.00 0.00 C ATOM 640 OE1 GLN A 40 -2.931 -9.448 -5.951 1.00 0.00 O ATOM 641 NE2 GLN A 40 -4.826 -8.566 -6.623 1.00 0.00 N ATOM 0 H GLN A 40 -3.433 -9.213 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.902 -8.829 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.409 -7.532 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.654 -6.991 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.350 -9.932 -3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.605 -8.794 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.751 -8.201 -6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.511 -8.586 -7.593 1.00 0.00 H new ATOM 650 N SER A 41 -1.108 -7.324 -1.183 1.00 0.00 N ATOM 651 CA SER A 41 -0.289 -6.260 -0.598 1.00 0.00 C ATOM 652 C SER A 41 0.853 -5.964 -1.550 1.00 0.00 C ATOM 653 O SER A 41 1.275 -4.827 -1.689 1.00 0.00 O ATOM 654 CB SER A 41 0.267 -6.689 0.774 1.00 0.00 C ATOM 655 OG SER A 41 1.294 -7.653 0.580 1.00 0.00 O ATOM 0 H SER A 41 -1.245 -8.136 -0.581 1.00 0.00 H new ATOM 0 HA SER A 41 -0.899 -5.370 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.660 -5.824 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.530 -7.107 1.388 1.00 0.00 H new ATOM 0 HG SER A 41 2.134 -7.315 0.954 1.00 0.00 H new ATOM 661 N ALA A 42 1.314 -7.024 -2.214 1.00 0.00 N ATOM 662 CA ALA A 42 2.391 -6.946 -3.188 1.00 0.00 C ATOM 663 C ALA A 42 1.941 -6.233 -4.467 1.00 0.00 C ATOM 664 O ALA A 42 2.700 -5.496 -5.094 1.00 0.00 O ATOM 665 CB ALA A 42 2.839 -8.358 -3.543 1.00 0.00 C ATOM 0 H ALA A 42 0.944 -7.966 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 42 3.209 -6.376 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.647 -8.311 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.191 -8.865 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.000 -8.911 -3.966 1.00 0.00 H new ATOM 671 N ASN A 43 0.697 -6.475 -4.846 1.00 0.00 N ATOM 672 CA ASN A 43 0.112 -5.866 -6.028 1.00 0.00 C ATOM 673 C ASN A 43 -0.180 -4.414 -5.775 1.00 0.00 C ATOM 674 O ASN A 43 -0.171 -3.577 -6.669 1.00 0.00 O ATOM 675 CB ASN A 43 -1.217 -6.527 -6.283 1.00 0.00 C ATOM 676 CG ASN A 43 -1.692 -6.312 -7.722 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.139 -5.492 -8.458 1.00 0.00 O ATOM 678 ND2 ASN A 43 -2.696 -7.011 -8.169 1.00 0.00 N ATOM 0 H ASN A 43 0.065 -7.098 -4.343 1.00 0.00 H new ATOM 0 HA ASN A 43 0.804 -5.977 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.136 -7.595 -6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.960 -6.129 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.023 -6.879 -9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.155 -7.690 -7.562 1.00 0.00 H new ATOM 685 N LEU A 44 -0.560 -4.174 -4.545 1.00 0.00 N ATOM 686 CA LEU A 44 -0.993 -2.870 -4.127 1.00 0.00 C ATOM 687 C LEU A 44 0.093 -1.839 -4.209 1.00 0.00 C ATOM 688 O LEU A 44 -0.166 -0.758 -4.704 1.00 0.00 O ATOM 689 CB LEU A 44 -1.608 -2.988 -2.753 1.00 0.00 C ATOM 690 CG LEU A 44 -2.931 -3.744 -2.935 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.421 -4.336 -1.617 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.966 -2.786 -3.508 1.00 0.00 C ATOM 0 H LEU A 44 -0.577 -4.879 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.751 -2.504 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.944 -3.524 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.780 -2.003 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.774 -4.576 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.360 -4.864 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.676 -5.032 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.578 -3.535 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.912 -3.310 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.108 -1.951 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.620 -2.409 -4.470 1.00 0.00 H new ATOM 704 N LEU A 45 1.319 -2.166 -3.818 1.00 0.00 N ATOM 705 CA LEU A 45 2.379 -1.169 -4.008 1.00 0.00 C ATOM 706 C LEU A 45 2.577 -1.070 -5.499 1.00 0.00 C ATOM 707 O LEU A 45 2.919 -0.036 -6.015 1.00 0.00 O ATOM 708 CB LEU A 45 3.768 -1.388 -3.349 1.00 0.00 C ATOM 709 CG LEU A 45 3.847 -2.586 -2.426 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.788 -2.493 -1.332 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.706 -3.842 -3.266 1.00 0.00 C ATOM 0 H LEU A 45 1.599 -3.051 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 45 2.020 -0.277 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.514 -1.502 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.033 -0.494 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 45 4.809 -2.614 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.861 -3.363 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.947 -1.587 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.798 -2.463 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.760 -4.719 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.746 -3.829 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.511 -3.881 -4.000 1.00 0.00 H new ATOM 723 N ALA A 46 2.349 -2.192 -6.182 1.00 0.00 N ATOM 724 CA ALA A 46 2.488 -2.231 -7.632 1.00 0.00 C ATOM 725 C ALA A 46 1.521 -1.221 -8.218 1.00 0.00 C ATOM 726 O ALA A 46 1.865 -0.429 -9.088 1.00 0.00 O ATOM 727 CB ALA A 46 2.127 -3.623 -8.147 1.00 0.00 C ATOM 0 H ALA A 46 2.070 -3.076 -5.757 1.00 0.00 H new ATOM 0 HA ALA A 46 3.514 -2.000 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.232 -3.648 -9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.794 -4.360 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.097 -3.855 -7.877 1.00 0.00 H new ATOM 733 N GLU A 47 0.319 -1.243 -7.664 1.00 0.00 N ATOM 734 CA GLU A 47 -0.738 -0.336 -8.027 1.00 0.00 C ATOM 735 C GLU A 47 -0.359 1.057 -7.576 1.00 0.00 C ATOM 736 O GLU A 47 -0.448 2.018 -8.314 1.00 0.00 O ATOM 737 CB GLU A 47 -1.981 -0.778 -7.265 1.00 0.00 C ATOM 738 CG GLU A 47 -2.818 -1.740 -8.107 1.00 0.00 C ATOM 739 CD GLU A 47 -3.629 -2.664 -7.197 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.100 -3.692 -6.802 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.765 -2.327 -6.902 1.00 0.00 O ATOM 0 H GLU A 47 0.054 -1.907 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.911 -0.337 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.689 -1.262 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.579 0.093 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.488 -1.178 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.168 -2.331 -8.752 1.00 0.00 H new ATOM 748 N ALA A 48 0.070 1.112 -6.333 1.00 0.00 N ATOM 749 CA ALA A 48 0.480 2.344 -5.688 1.00 0.00 C ATOM 750 C ALA A 48 1.616 3.001 -6.438 1.00 0.00 C ATOM 751 O ALA A 48 1.575 4.189 -6.718 1.00 0.00 O ATOM 752 CB ALA A 48 0.914 2.040 -4.270 1.00 0.00 C ATOM 0 H ALA A 48 0.145 0.291 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.365 3.033 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.224 2.962 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.082 1.599 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.749 1.340 -4.287 1.00 0.00 H new ATOM 758 N LYS A 49 2.613 2.208 -6.784 1.00 0.00 N ATOM 759 CA LYS A 49 3.742 2.713 -7.544 1.00 0.00 C ATOM 760 C LYS A 49 3.224 3.202 -8.891 1.00 0.00 C ATOM 761 O LYS A 49 3.676 4.225 -9.406 1.00 0.00 O ATOM 762 CB LYS A 49 4.804 1.616 -7.721 1.00 0.00 C ATOM 763 CG LYS A 49 5.510 1.364 -6.375 1.00 0.00 C ATOM 764 CD LYS A 49 6.499 0.197 -6.506 1.00 0.00 C ATOM 765 CE LYS A 49 7.030 -0.189 -5.117 1.00 0.00 C ATOM 766 NZ LYS A 49 8.134 -1.180 -5.260 1.00 0.00 N ATOM 0 H LYS A 49 2.665 1.216 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 49 4.218 3.538 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.338 0.697 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.531 1.917 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.038 2.264 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.772 1.140 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.008 -0.659 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.326 0.480 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.389 0.698 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.226 -0.610 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.492 -1.440 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.777 -2.030 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.905 -0.763 -5.820 1.00 0.00 H new ATOM 780 N LYS A 50 2.219 2.490 -9.424 1.00 0.00 N ATOM 781 CA LYS A 50 1.589 2.885 -10.675 1.00 0.00 C ATOM 782 C LYS A 50 0.771 4.151 -10.450 1.00 0.00 C ATOM 783 O LYS A 50 0.703 5.018 -11.308 1.00 0.00 O ATOM 784 CB LYS A 50 0.700 1.744 -11.194 1.00 0.00 C ATOM 785 CG LYS A 50 1.581 0.651 -11.809 1.00 0.00 C ATOM 786 CD LYS A 50 0.724 -0.580 -12.135 1.00 0.00 C ATOM 787 CE LYS A 50 1.619 -1.821 -12.257 1.00 0.00 C ATOM 788 NZ LYS A 50 1.308 -2.768 -11.147 1.00 0.00 N ATOM 0 H LYS A 50 1.833 1.644 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 50 2.353 3.090 -11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.106 1.331 -10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.000 2.124 -11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.060 1.023 -12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.377 0.379 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.021 -0.733 -11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.181 -0.420 -13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.457 -2.306 -13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.669 -1.531 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.194 -3.108 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.741 -2.281 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.771 -3.577 -11.521 1.00 0.00 H new ATOM 802 N LEU A 51 0.170 4.229 -9.263 1.00 0.00 N ATOM 803 CA LEU A 51 -0.652 5.361 -8.845 1.00 0.00 C ATOM 804 C LEU A 51 0.207 6.588 -8.628 1.00 0.00 C ATOM 805 O LEU A 51 -0.131 7.697 -9.034 1.00 0.00 O ATOM 806 CB LEU A 51 -1.294 5.018 -7.502 1.00 0.00 C ATOM 807 CG LEU A 51 -2.746 4.564 -7.632 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.612 5.744 -8.098 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.839 3.356 -8.588 1.00 0.00 C ATOM 0 H LEU A 51 0.242 3.497 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.396 5.559 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.715 4.231 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.249 5.891 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.124 4.237 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.649 5.420 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.548 6.552 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.255 6.098 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.878 3.039 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.463 3.640 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.241 2.534 -8.195 1.00 0.00 H new ATOM 821 N ASN A 52 1.319 6.348 -7.955 1.00 0.00 N ATOM 822 CA ASN A 52 2.273 7.374 -7.621 1.00 0.00 C ATOM 823 C ASN A 52 2.769 8.009 -8.898 1.00 0.00 C ATOM 824 O ASN A 52 2.798 9.232 -9.044 1.00 0.00 O ATOM 825 CB ASN A 52 3.418 6.703 -6.849 1.00 0.00 C ATOM 826 CG ASN A 52 4.415 7.720 -6.315 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.145 8.399 -5.329 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.570 7.848 -6.904 1.00 0.00 N ATOM 0 H ASN A 52 1.582 5.420 -7.624 1.00 0.00 H new ATOM 0 HA ASN A 52 1.831 8.156 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.008 6.127 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.933 5.999 -7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.254 8.515 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.790 7.282 -7.723 1.00 0.00 H new ATOM 835 N ASP A 53 3.128 7.140 -9.824 1.00 0.00 N ATOM 836 CA ASP A 53 3.606 7.548 -11.118 1.00 0.00 C ATOM 837 C ASP A 53 2.479 8.123 -11.981 1.00 0.00 C ATOM 838 O ASP A 53 2.694 9.058 -12.756 1.00 0.00 O ATOM 839 CB ASP A 53 4.230 6.337 -11.822 1.00 0.00 C ATOM 840 CG ASP A 53 5.448 5.803 -11.048 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.981 6.520 -10.210 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.829 4.674 -11.307 1.00 0.00 O ATOM 0 H ASP A 53 3.094 6.129 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 53 4.350 8.333 -10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.485 5.548 -11.920 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.533 6.617 -12.831 1.00 0.00 H new ATOM 847 N ALA A 54 1.295 7.513 -11.876 1.00 0.00 N ATOM 848 CA ALA A 54 0.140 7.917 -12.690 1.00 0.00 C ATOM 849 C ALA A 54 -0.486 9.231 -12.266 1.00 0.00 C ATOM 850 O ALA A 54 -0.904 10.023 -13.114 1.00 0.00 O ATOM 851 CB ALA A 54 -0.939 6.861 -12.559 1.00 0.00 C ATOM 0 H ALA A 54 1.109 6.739 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 54 0.515 8.033 -13.707 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.803 7.148 -13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.555 5.903 -12.910 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.236 6.772 -11.514 1.00 0.00 H new ATOM 857 N GLN A 55 -0.581 9.448 -10.963 1.00 0.00 N ATOM 858 CA GLN A 55 -1.198 10.657 -10.462 1.00 0.00 C ATOM 859 C GLN A 55 -0.219 11.795 -10.493 1.00 0.00 C ATOM 860 O GLN A 55 -0.562 12.912 -10.885 1.00 0.00 O ATOM 861 CB GLN A 55 -1.648 10.455 -9.024 1.00 0.00 C ATOM 862 CG GLN A 55 -2.816 9.474 -8.940 1.00 0.00 C ATOM 863 CD GLN A 55 -3.289 9.391 -7.490 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.265 8.707 -7.191 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.658 10.073 -6.567 1.00 0.00 N ATOM 0 H GLN A 55 -0.242 8.809 -10.244 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.054 10.887 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.814 10.083 -8.429 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.943 11.413 -8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.631 9.803 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.508 8.490 -9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.848 10.640 -6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.977 10.037 -5.599 1.00 0.00 H new ATOM 874 N ALA A 56 0.993 11.489 -10.034 1.00 0.00 N ATOM 875 CA ALA A 56 2.066 12.481 -9.945 1.00 0.00 C ATOM 876 C ALA A 56 1.488 13.858 -9.552 1.00 0.00 C ATOM 877 O ALA A 56 1.741 14.857 -10.227 1.00 0.00 O ATOM 878 CB ALA A 56 2.807 12.562 -11.281 1.00 0.00 C ATOM 0 H ALA A 56 1.259 10.557 -9.716 1.00 0.00 H new ATOM 0 HA ALA A 56 2.773 12.178 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.605 13.301 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.235 11.588 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.110 12.854 -12.067 1.00 0.00 H new ATOM 884 N PRO A 57 0.692 13.907 -8.485 1.00 0.00 N ATOM 885 CA PRO A 57 0.019 15.135 -7.972 1.00 0.00 C ATOM 886 C PRO A 57 0.805 16.419 -8.214 1.00 0.00 C ATOM 887 O PRO A 57 1.931 16.577 -7.735 1.00 0.00 O ATOM 888 CB PRO A 57 -0.151 14.849 -6.464 1.00 0.00 C ATOM 889 CG PRO A 57 0.410 13.477 -6.257 1.00 0.00 C ATOM 890 CD PRO A 57 0.322 12.806 -7.613 1.00 0.00 C ATOM 0 HA PRO A 57 -0.921 15.318 -8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.380 15.586 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.200 14.893 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.441 13.521 -5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.159 12.927 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.005 11.961 -7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.679 12.430 -7.824 1.00 0.00 H new ATOM 898 N LYS A 58 0.190 17.320 -8.968 1.00 0.00 N ATOM 899 CA LYS A 58 0.801 18.607 -9.300 1.00 0.00 C ATOM 900 C LYS A 58 0.236 19.715 -8.409 1.00 0.00 C ATOM 901 O LYS A 58 -0.971 19.740 -8.218 1.00 0.00 O ATOM 902 CB LYS A 58 0.541 18.947 -10.775 1.00 0.00 C ATOM 903 CG LYS A 58 1.218 17.906 -11.684 1.00 0.00 C ATOM 904 CD LYS A 58 0.212 16.817 -12.085 1.00 0.00 C ATOM 905 CE LYS A 58 0.887 15.810 -13.024 1.00 0.00 C ATOM 906 NZ LYS A 58 0.163 14.510 -12.963 1.00 0.00 N ATOM 907 OXT LYS A 58 1.016 20.522 -7.932 1.00 0.00 O ATOM 0 H LYS A 58 -0.739 17.185 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 58 1.875 18.533 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.532 18.967 -10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.924 19.942 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.612 18.393 -12.576 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.065 17.456 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.160 16.307 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.649 17.268 -12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.885 16.191 -14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.929 15.671 -12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.688 13.795 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.083 14.203 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.788 14.623 -13.368 1.00 0.00 H new TER 921 LYS A 58