USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 hydrogens (2 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 Single : A 1 GLY N :NH3+ -141:sc= 0.0634 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.13 K(o=-1.1,f=-9!) USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= -0.0105 (180deg=-0.0402) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.422 (180deg=-2.16!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.884 K(o=-0.88,f=-3.9!) USER MOD Single : A 33 SER OG : rot 26:sc= 0.721 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.230 6.797 -1.871 1.00 0.00 N ATOM 2 CA GLY A 1 -7.758 7.030 -1.889 1.00 0.00 C ATOM 3 C GLY A 1 -7.031 5.685 -1.949 1.00 0.00 C ATOM 4 O GLY A 1 -7.558 4.705 -2.439 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.702 7.516 -2.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.437 5.852 -2.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.580 6.860 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.486 7.642 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.455 7.580 -0.998 1.00 0.00 H new ATOM 10 N CYS A 2 -5.826 5.627 -1.452 1.00 0.00 N ATOM 11 CA CYS A 2 -5.070 4.344 -1.478 1.00 0.00 C ATOM 12 C CYS A 2 -4.694 3.927 -0.055 1.00 0.00 C ATOM 13 O CYS A 2 -5.067 4.566 0.909 1.00 0.00 O ATOM 14 CB CYS A 2 -3.813 4.620 -2.313 1.00 0.00 C ATOM 15 SG CYS A 2 -3.100 6.230 -1.882 1.00 0.00 S ATOM 0 H CYS A 2 -5.333 6.413 -1.029 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.659 3.532 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.078 3.834 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.063 4.599 -3.374 1.00 0.00 H new ATOM 20 N LEU A 3 -3.961 2.856 0.084 1.00 0.00 N ATOM 21 CA LEU A 3 -3.565 2.395 1.445 1.00 0.00 C ATOM 22 C LEU A 3 -2.262 3.071 1.879 1.00 0.00 C ATOM 23 O LEU A 3 -1.527 3.605 1.072 1.00 0.00 O ATOM 24 CB LEU A 3 -3.371 0.887 1.305 1.00 0.00 C ATOM 25 CG LEU A 3 -4.731 0.218 1.101 1.00 0.00 C ATOM 26 CD1 LEU A 3 -5.083 0.217 -0.386 1.00 0.00 C ATOM 27 CD2 LEU A 3 -4.669 -1.223 1.612 1.00 0.00 C ATOM 0 H LEU A 3 -3.619 2.281 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.311 2.643 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.716 0.670 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.886 0.487 2.196 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.493 0.768 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.052 -0.260 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.126 1.243 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.322 -0.333 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.637 -1.702 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.906 -1.772 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.419 -1.222 2.673 1.00 0.00 H new ATOM 39 N GLU A 4 -1.974 3.053 3.151 1.00 0.00 N ATOM 40 CA GLU A 4 -0.725 3.697 3.648 1.00 0.00 C ATOM 41 C GLU A 4 0.498 3.142 2.917 1.00 0.00 C ATOM 42 O GLU A 4 0.385 2.470 1.910 1.00 0.00 O ATOM 43 CB GLU A 4 -0.664 3.346 5.133 1.00 0.00 C ATOM 44 CG GLU A 4 -1.152 4.537 5.959 1.00 0.00 C ATOM 45 CD GLU A 4 -0.772 4.328 7.425 1.00 0.00 C ATOM 46 OE1 GLU A 4 -0.760 3.187 7.858 1.00 0.00 O ATOM 47 OE2 GLU A 4 -0.499 5.313 8.092 1.00 0.00 O ATOM 0 H GLU A 4 -2.552 2.618 3.870 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.727 4.774 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.282 2.471 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.357 3.088 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.708 5.459 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.233 4.642 5.863 1.00 0.00 H new ATOM 54 N PHE A 5 1.668 3.427 3.417 1.00 0.00 N ATOM 55 CA PHE A 5 2.905 2.928 2.755 1.00 0.00 C ATOM 56 C PHE A 5 3.291 1.549 3.312 1.00 0.00 C ATOM 57 O PHE A 5 4.384 1.070 3.089 1.00 0.00 O ATOM 58 CB PHE A 5 3.969 4.003 3.060 1.00 0.00 C ATOM 59 CG PHE A 5 5.111 3.435 3.880 1.00 0.00 C ATOM 60 CD1 PHE A 5 4.961 3.256 5.262 1.00 0.00 C ATOM 61 CD2 PHE A 5 6.314 3.087 3.257 1.00 0.00 C ATOM 62 CE1 PHE A 5 6.017 2.730 6.018 1.00 0.00 C ATOM 63 CE2 PHE A 5 7.369 2.561 4.011 1.00 0.00 C ATOM 64 CZ PHE A 5 7.220 2.382 5.392 1.00 0.00 C ATOM 0 H PHE A 5 1.821 3.985 4.257 1.00 0.00 H new ATOM 0 HA PHE A 5 2.787 2.784 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.357 4.409 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.508 4.830 3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.032 3.523 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.429 3.225 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.903 2.593 7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.297 2.293 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.034 1.975 5.974 1.00 0.00 H new ATOM 74 N TRP A 6 2.409 0.912 4.036 1.00 0.00 N ATOM 75 CA TRP A 6 2.738 -0.433 4.595 1.00 0.00 C ATOM 76 C TRP A 6 1.460 -1.165 5.012 1.00 0.00 C ATOM 77 O TRP A 6 1.315 -1.586 6.143 1.00 0.00 O ATOM 78 CB TRP A 6 3.629 -0.152 5.808 1.00 0.00 C ATOM 79 CG TRP A 6 4.204 -1.432 6.323 1.00 0.00 C ATOM 80 CD1 TRP A 6 3.949 -1.964 7.542 1.00 0.00 C ATOM 81 CD2 TRP A 6 5.127 -2.348 5.664 1.00 0.00 C ATOM 82 NE1 TRP A 6 4.656 -3.146 7.671 1.00 0.00 N ATOM 83 CE2 TRP A 6 5.396 -3.425 6.540 1.00 0.00 C ATOM 84 CE3 TRP A 6 5.750 -2.349 4.402 1.00 0.00 C ATOM 85 CZ2 TRP A 6 6.253 -4.466 6.179 1.00 0.00 C ATOM 86 CZ3 TRP A 6 6.613 -3.395 4.037 1.00 0.00 C ATOM 87 CH2 TRP A 6 6.864 -4.452 4.923 1.00 0.00 C ATOM 0 H TRP A 6 1.479 1.263 4.264 1.00 0.00 H new ATOM 0 HA TRP A 6 3.237 -1.072 3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 6 4.431 0.532 5.531 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.049 0.338 6.591 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.300 -1.535 8.291 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.633 -3.739 8.501 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.563 -1.541 3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 6.442 -5.277 6.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 7.087 -3.385 3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.528 -5.254 4.635 1.00 0.00 H new ATOM 98 N TRP A 7 0.536 -1.328 4.106 1.00 0.00 N ATOM 99 CA TRP A 7 -0.726 -2.041 4.447 1.00 0.00 C ATOM 100 C TRP A 7 -0.777 -3.370 3.696 1.00 0.00 C ATOM 101 O TRP A 7 -0.127 -3.536 2.684 1.00 0.00 O ATOM 102 CB TRP A 7 -1.848 -1.112 3.979 1.00 0.00 C ATOM 103 CG TRP A 7 -2.245 -0.213 5.104 1.00 0.00 C ATOM 104 CD1 TRP A 7 -1.529 -0.028 6.235 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.431 0.624 5.227 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.203 0.865 7.049 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.380 1.296 6.471 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.536 0.863 4.389 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -4.389 2.173 6.871 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.554 1.746 4.789 1.00 0.00 C ATOM 111 CH2 TRP A 7 -5.481 2.399 6.027 1.00 0.00 C ATOM 0 H TRP A 7 0.601 -0.998 3.143 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.810 -2.265 5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.515 -0.521 3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.705 -1.697 3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.585 -0.500 6.466 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.871 1.168 7.965 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.602 0.365 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.327 2.674 7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.398 1.922 4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.267 3.076 6.329 1.00 0.00 H new ATOM 122 N LYS A 8 -1.537 -4.320 4.172 1.00 0.00 N ATOM 123 CA LYS A 8 -1.600 -5.623 3.451 1.00 0.00 C ATOM 124 C LYS A 8 -1.771 -5.354 1.959 1.00 0.00 C ATOM 125 O LYS A 8 -2.283 -4.328 1.560 1.00 0.00 O ATOM 126 CB LYS A 8 -2.816 -6.373 3.997 1.00 0.00 C ATOM 127 CG LYS A 8 -2.894 -6.220 5.518 1.00 0.00 C ATOM 128 CD LYS A 8 -4.029 -5.261 5.879 1.00 0.00 C ATOM 129 CE LYS A 8 -3.730 -4.600 7.228 1.00 0.00 C ATOM 130 NZ LYS A 8 -4.525 -3.340 7.222 1.00 0.00 N ATOM 0 H LYS A 8 -2.108 -4.253 5.015 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.693 -6.210 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.726 -5.987 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.749 -7.429 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.063 -7.191 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.948 -5.842 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.137 -4.501 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.974 -5.802 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.019 -5.246 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.665 -4.395 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.373 -2.829 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.223 -2.743 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.535 -3.567 7.121 1.00 0.00 H new ATOM 144 N CYS A 9 -1.337 -6.253 1.133 1.00 0.00 N ATOM 145 CA CYS A 9 -1.468 -6.024 -0.333 1.00 0.00 C ATOM 146 C CYS A 9 -1.331 -7.334 -1.104 1.00 0.00 C ATOM 147 O CYS A 9 -1.319 -8.409 -0.538 1.00 0.00 O ATOM 148 CB CYS A 9 -0.312 -5.088 -0.679 1.00 0.00 C ATOM 149 SG CYS A 9 1.249 -5.876 -0.212 1.00 0.00 S ATOM 0 H CYS A 9 -0.899 -7.134 1.402 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.441 -5.609 -0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.316 -4.864 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.426 -4.140 -0.154 1.00 0.00 H new ATOM 154 N ASN A 10 -1.214 -7.242 -2.398 1.00 0.00 N ATOM 155 CA ASN A 10 -1.060 -8.463 -3.233 1.00 0.00 C ATOM 156 C ASN A 10 -0.476 -8.078 -4.594 1.00 0.00 C ATOM 157 O ASN A 10 -1.051 -7.281 -5.307 1.00 0.00 O ATOM 158 CB ASN A 10 -2.475 -9.022 -3.390 1.00 0.00 C ATOM 159 CG ASN A 10 -2.404 -10.413 -4.023 1.00 0.00 C ATOM 160 OD1 ASN A 10 -1.334 -10.899 -4.331 1.00 0.00 O ATOM 161 ND2 ASN A 10 -3.506 -11.080 -4.230 1.00 0.00 N ATOM 0 H ASN A 10 -1.219 -6.364 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.389 -9.197 -2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.966 -9.077 -2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.074 -8.357 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.469 -12.009 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.405 -10.673 -3.972 1.00 0.00 H new ATOM 168 N PRO A 11 0.650 -8.656 -4.913 1.00 0.00 N ATOM 169 CA PRO A 11 1.320 -8.365 -6.209 1.00 0.00 C ATOM 170 C PRO A 11 0.479 -8.888 -7.379 1.00 0.00 C ATOM 171 O PRO A 11 0.942 -9.654 -8.202 1.00 0.00 O ATOM 172 CB PRO A 11 2.650 -9.109 -6.097 1.00 0.00 C ATOM 173 CG PRO A 11 2.395 -10.187 -5.095 1.00 0.00 C ATOM 174 CD PRO A 11 1.400 -9.627 -4.114 1.00 0.00 C ATOM 0 HA PRO A 11 1.454 -7.300 -6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.954 -9.525 -7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.450 -8.445 -5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.003 -11.082 -5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.318 -10.475 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.750 -10.404 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.894 -9.154 -3.265 1.00 0.00 H new ATOM 182 N ASN A 12 -0.754 -8.467 -7.455 1.00 0.00 N ATOM 183 CA ASN A 12 -1.650 -8.911 -8.560 1.00 0.00 C ATOM 184 C ASN A 12 -2.822 -7.934 -8.669 1.00 0.00 C ATOM 185 O ASN A 12 -3.255 -7.574 -9.745 1.00 0.00 O ATOM 186 CB ASN A 12 -2.140 -10.299 -8.148 1.00 0.00 C ATOM 187 CG ASN A 12 -3.138 -10.816 -9.184 1.00 0.00 C ATOM 188 OD1 ASN A 12 -2.988 -10.487 -10.439 1.00 0.00 O flip ATOM 189 ND2 ASN A 12 -4.066 -11.526 -8.850 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.184 -7.825 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.150 -8.940 -9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.297 -10.985 -8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.610 -10.254 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.184 -11.784 -7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.727 -11.864 -9.550 1.00 0.00 H new ATOM 196 N ASP A 13 -3.327 -7.499 -7.546 1.00 0.00 N ATOM 197 CA ASP A 13 -4.463 -6.537 -7.548 1.00 0.00 C ATOM 198 C ASP A 13 -4.443 -5.726 -6.252 1.00 0.00 C ATOM 199 O ASP A 13 -5.446 -5.568 -5.584 1.00 0.00 O ATOM 200 CB ASP A 13 -5.720 -7.402 -7.630 1.00 0.00 C ATOM 201 CG ASP A 13 -6.886 -6.559 -8.150 1.00 0.00 C ATOM 202 OD1 ASP A 13 -6.949 -6.347 -9.350 1.00 0.00 O ATOM 203 OD2 ASP A 13 -7.697 -6.141 -7.340 1.00 0.00 O ATOM 0 H ASP A 13 -2.997 -7.772 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.415 -5.828 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.548 -8.251 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.960 -7.807 -6.647 1.00 0.00 H new ATOM 208 N ASP A 14 -3.298 -5.215 -5.896 1.00 0.00 N ATOM 209 CA ASP A 14 -3.188 -4.413 -4.643 1.00 0.00 C ATOM 210 C ASP A 14 -3.749 -3.009 -4.868 1.00 0.00 C ATOM 211 O ASP A 14 -4.295 -2.711 -5.911 1.00 0.00 O ATOM 212 CB ASP A 14 -1.690 -4.350 -4.345 1.00 0.00 C ATOM 213 CG ASP A 14 -1.010 -3.395 -5.329 1.00 0.00 C ATOM 214 OD1 ASP A 14 -1.391 -3.399 -6.488 1.00 0.00 O ATOM 215 OD2 ASP A 14 -0.120 -2.676 -4.907 1.00 0.00 O ATOM 0 H ASP A 14 -2.429 -5.318 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.749 -4.852 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.526 -4.011 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.251 -5.344 -4.425 1.00 0.00 H new ATOM 220 N LYS A 15 -3.626 -2.144 -3.900 1.00 0.00 N ATOM 221 CA LYS A 15 -4.163 -0.767 -4.078 1.00 0.00 C ATOM 222 C LYS A 15 -3.294 0.268 -3.352 1.00 0.00 C ATOM 223 O LYS A 15 -3.612 1.440 -3.334 1.00 0.00 O ATOM 224 CB LYS A 15 -5.565 -0.808 -3.473 1.00 0.00 C ATOM 225 CG LYS A 15 -6.315 0.473 -3.844 1.00 0.00 C ATOM 226 CD LYS A 15 -7.333 0.168 -4.945 1.00 0.00 C ATOM 227 CE LYS A 15 -6.867 0.799 -6.261 1.00 0.00 C ATOM 228 NZ LYS A 15 -6.852 -0.322 -7.241 1.00 0.00 N ATOM 0 H LYS A 15 -3.181 -2.329 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.173 -0.473 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.107 -1.679 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.503 -0.905 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.822 0.877 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.612 1.233 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.443 -0.910 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.312 0.559 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.543 1.593 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.878 1.245 -6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.542 0.032 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.195 -1.059 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.808 -0.723 -7.325 1.00 0.00 H new ATOM 242 N CYS A 16 -2.199 -0.135 -2.760 1.00 0.00 N ATOM 243 CA CYS A 16 -1.347 0.871 -2.062 1.00 0.00 C ATOM 244 C CYS A 16 -1.117 2.059 -2.995 1.00 0.00 C ATOM 245 O CYS A 16 -1.049 1.902 -4.198 1.00 0.00 O ATOM 246 CB CYS A 16 -0.021 0.165 -1.753 1.00 0.00 C ATOM 247 SG CYS A 16 0.916 1.160 -0.559 1.00 0.00 S ATOM 0 H CYS A 16 -1.863 -1.098 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.810 1.243 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.210 -0.829 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.557 0.032 -2.668 1.00 0.00 H new ATOM 252 N CYS A 17 -1.001 3.243 -2.457 1.00 0.00 N ATOM 253 CA CYS A 17 -0.777 4.434 -3.325 1.00 0.00 C ATOM 254 C CYS A 17 0.224 4.084 -4.428 1.00 0.00 C ATOM 255 O CYS A 17 1.058 3.216 -4.262 1.00 0.00 O ATOM 256 CB CYS A 17 -0.201 5.502 -2.395 1.00 0.00 C ATOM 257 SG CYS A 17 -1.335 5.779 -1.009 1.00 0.00 S ATOM 0 H CYS A 17 -1.052 3.437 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.690 4.775 -3.812 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.774 5.187 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.047 6.431 -2.943 1.00 0.00 H new ATOM 262 N ARG A 18 0.154 4.737 -5.555 1.00 0.00 N ATOM 263 CA ARG A 18 1.110 4.409 -6.647 1.00 0.00 C ATOM 264 C ARG A 18 2.131 5.537 -6.907 1.00 0.00 C ATOM 265 O ARG A 18 2.677 5.607 -7.990 1.00 0.00 O ATOM 266 CB ARG A 18 0.233 4.200 -7.880 1.00 0.00 C ATOM 267 CG ARG A 18 0.565 2.850 -8.517 1.00 0.00 C ATOM 268 CD ARG A 18 -0.120 1.730 -7.731 1.00 0.00 C ATOM 269 NE ARG A 18 0.133 0.495 -8.523 1.00 0.00 N ATOM 270 CZ ARG A 18 0.742 -0.519 -7.972 1.00 0.00 C ATOM 271 NH1 ARG A 18 0.283 -1.033 -6.864 1.00 0.00 N ATOM 272 NH2 ARG A 18 1.811 -1.018 -8.530 1.00 0.00 N ATOM 0 H ARG A 18 -0.517 5.476 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 18 1.706 3.534 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.820 4.234 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.398 5.004 -8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.233 2.835 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.644 2.695 -8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.291 1.645 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.188 1.919 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.170 0.442 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.552 -0.642 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.759 -1.826 -6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.170 -0.615 -9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.288 -1.811 -8.100 1.00 0.00 H new ATOM 286 N PRO A 19 2.385 6.381 -5.927 1.00 0.00 N ATOM 287 CA PRO A 19 3.373 7.463 -6.134 1.00 0.00 C ATOM 288 C PRO A 19 4.787 6.883 -6.067 1.00 0.00 C ATOM 289 O PRO A 19 5.724 7.441 -6.601 1.00 0.00 O ATOM 290 CB PRO A 19 3.121 8.418 -4.973 1.00 0.00 C ATOM 291 CG PRO A 19 2.509 7.576 -3.901 1.00 0.00 C ATOM 292 CD PRO A 19 1.809 6.422 -4.575 1.00 0.00 C ATOM 0 HA PRO A 19 3.280 7.958 -7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.049 8.877 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.454 9.228 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.274 7.212 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.803 8.160 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.981 5.487 -4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.730 6.576 -4.608 1.00 0.00 H new ATOM 300 N LYS A 20 4.944 5.762 -5.413 1.00 0.00 N ATOM 301 CA LYS A 20 6.296 5.141 -5.313 1.00 0.00 C ATOM 302 C LYS A 20 6.278 3.947 -4.350 1.00 0.00 C ATOM 303 O LYS A 20 7.245 3.679 -3.666 1.00 0.00 O ATOM 304 CB LYS A 20 7.201 6.251 -4.777 1.00 0.00 C ATOM 305 CG LYS A 20 8.142 6.717 -5.889 1.00 0.00 C ATOM 306 CD LYS A 20 8.485 8.193 -5.685 1.00 0.00 C ATOM 307 CE LYS A 20 9.629 8.316 -4.674 1.00 0.00 C ATOM 308 NZ LYS A 20 8.983 8.698 -3.384 1.00 0.00 N ATOM 0 H LYS A 20 4.195 5.251 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 20 6.640 4.757 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.599 7.087 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.777 5.887 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.052 6.118 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.671 6.574 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.774 8.645 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.609 8.735 -5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.171 7.375 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.352 9.069 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.716 8.914 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.385 9.536 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.397 7.910 -3.043 1.00 0.00 H new ATOM 322 N LEU A 21 5.192 3.219 -4.299 1.00 0.00 N ATOM 323 CA LEU A 21 5.135 2.038 -3.386 1.00 0.00 C ATOM 324 C LEU A 21 4.730 0.787 -4.165 1.00 0.00 C ATOM 325 O LEU A 21 4.272 0.859 -5.288 1.00 0.00 O ATOM 326 CB LEU A 21 4.065 2.363 -2.341 1.00 0.00 C ATOM 327 CG LEU A 21 4.453 3.635 -1.583 1.00 0.00 C ATOM 328 CD1 LEU A 21 3.655 4.817 -2.133 1.00 0.00 C ATOM 329 CD2 LEU A 21 4.134 3.455 -0.096 1.00 0.00 C ATOM 0 H LEU A 21 4.348 3.389 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 21 6.105 1.845 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.098 2.498 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.959 1.531 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 21 5.519 3.825 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.930 5.724 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.876 4.943 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.589 4.628 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.409 4.359 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.067 3.268 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.698 2.610 0.297 1.00 0.00 H new ATOM 341 N LYS A 22 4.886 -0.355 -3.567 1.00 0.00 N ATOM 342 CA LYS A 22 4.504 -1.617 -4.245 1.00 0.00 C ATOM 343 C LYS A 22 4.361 -2.734 -3.211 1.00 0.00 C ATOM 344 O LYS A 22 5.141 -2.831 -2.284 1.00 0.00 O ATOM 345 CB LYS A 22 5.644 -1.911 -5.225 1.00 0.00 C ATOM 346 CG LYS A 22 5.413 -3.270 -5.889 1.00 0.00 C ATOM 347 CD LYS A 22 6.079 -3.284 -7.267 1.00 0.00 C ATOM 348 CE LYS A 22 5.357 -4.281 -8.174 1.00 0.00 C ATOM 349 NZ LYS A 22 6.051 -4.180 -9.488 1.00 0.00 N ATOM 0 H LYS A 22 5.266 -0.469 -2.627 1.00 0.00 H new ATOM 0 HA LYS A 22 3.549 -1.542 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.696 -1.129 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.599 -1.910 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.823 -4.065 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.345 -3.462 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.048 -2.287 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.130 -3.558 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.416 -5.293 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.299 -4.036 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.611 -4.836 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.973 -3.207 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.055 -4.426 -9.370 1.00 0.00 H new ATOM 363 N CYS A 23 3.372 -3.572 -3.353 1.00 0.00 N ATOM 364 CA CYS A 23 3.190 -4.673 -2.363 1.00 0.00 C ATOM 365 C CYS A 23 4.540 -5.302 -2.012 1.00 0.00 C ATOM 366 O CYS A 23 5.488 -5.225 -2.767 1.00 0.00 O ATOM 367 CB CYS A 23 2.287 -5.701 -3.050 1.00 0.00 C ATOM 368 SG CYS A 23 1.772 -6.948 -1.843 1.00 0.00 S ATOM 0 H CYS A 23 2.685 -3.544 -4.107 1.00 0.00 H new ATOM 0 HA CYS A 23 2.753 -4.310 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.413 -5.208 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.819 -6.175 -3.875 1.00 0.00 H new ATOM 373 N SER A 24 4.628 -5.923 -0.870 1.00 0.00 N ATOM 374 CA SER A 24 5.912 -6.563 -0.461 1.00 0.00 C ATOM 375 C SER A 24 5.645 -7.967 0.077 1.00 0.00 C ATOM 376 O SER A 24 5.162 -8.139 1.182 1.00 0.00 O ATOM 377 CB SER A 24 6.472 -5.668 0.643 1.00 0.00 C ATOM 378 OG SER A 24 7.873 -5.520 0.459 1.00 0.00 O ATOM 0 H SER A 24 3.865 -6.016 -0.199 1.00 0.00 H new ATOM 0 HA SER A 24 6.608 -6.662 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.985 -4.693 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.266 -6.104 1.621 1.00 0.00 H new ATOM 0 HG SER A 24 8.237 -4.945 1.164 1.00 0.00 H new ATOM 384 N LYS A 25 5.957 -8.972 -0.693 1.00 0.00 N ATOM 385 CA LYS A 25 5.725 -10.368 -0.229 1.00 0.00 C ATOM 386 C LYS A 25 6.543 -10.642 1.034 1.00 0.00 C ATOM 387 O LYS A 25 6.156 -11.423 1.879 1.00 0.00 O ATOM 388 CB LYS A 25 6.199 -11.248 -1.386 1.00 0.00 C ATOM 389 CG LYS A 25 5.275 -11.044 -2.589 1.00 0.00 C ATOM 390 CD LYS A 25 6.079 -10.475 -3.760 1.00 0.00 C ATOM 391 CE LYS A 25 6.093 -11.485 -4.909 1.00 0.00 C ATOM 392 NZ LYS A 25 6.503 -12.771 -4.281 1.00 0.00 N ATOM 0 H LYS A 25 6.363 -8.887 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 25 4.682 -10.558 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.225 -10.995 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.197 -12.296 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.818 -11.991 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.464 -10.365 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.640 -9.535 -4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.098 -10.256 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.111 -11.568 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.792 -11.186 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.030 -13.342 -4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.109 -12.578 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.657 -13.292 -3.974 1.00 0.00 H new ATOM 406 N LEU A 26 7.671 -9.998 1.174 1.00 0.00 N ATOM 407 CA LEU A 26 8.507 -10.218 2.386 1.00 0.00 C ATOM 408 C LEU A 26 7.630 -10.142 3.639 1.00 0.00 C ATOM 409 O LEU A 26 7.817 -10.884 4.584 1.00 0.00 O ATOM 410 CB LEU A 26 9.532 -9.085 2.372 1.00 0.00 C ATOM 411 CG LEU A 26 10.665 -9.438 1.407 1.00 0.00 C ATOM 412 CD1 LEU A 26 10.991 -8.223 0.537 1.00 0.00 C ATOM 413 CD2 LEU A 26 11.908 -9.841 2.203 1.00 0.00 C ATOM 0 H LEU A 26 8.048 -9.330 0.501 1.00 0.00 H new ATOM 0 HA LEU A 26 8.989 -11.195 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.056 -8.153 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.929 -8.927 3.375 1.00 0.00 H new ATOM 0 HG LEU A 26 10.355 -10.268 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.798 -8.474 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.107 -7.935 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.301 -7.393 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.715 -10.092 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.218 -9.011 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.678 -10.707 2.824 1.00 0.00 H new ATOM 425 N PHE A 27 6.670 -9.258 3.649 1.00 0.00 N ATOM 426 CA PHE A 27 5.777 -9.145 4.837 1.00 0.00 C ATOM 427 C PHE A 27 4.313 -9.090 4.400 1.00 0.00 C ATOM 428 O PHE A 27 3.419 -9.002 5.217 1.00 0.00 O ATOM 429 CB PHE A 27 6.165 -7.843 5.520 1.00 0.00 C ATOM 430 CG PHE A 27 7.236 -8.114 6.550 1.00 0.00 C ATOM 431 CD1 PHE A 27 8.579 -8.192 6.159 1.00 0.00 C ATOM 432 CD2 PHE A 27 6.888 -8.290 7.894 1.00 0.00 C ATOM 433 CE1 PHE A 27 9.573 -8.445 7.113 1.00 0.00 C ATOM 434 CE2 PHE A 27 7.880 -8.544 8.848 1.00 0.00 C ATOM 435 CZ PHE A 27 9.223 -8.621 8.458 1.00 0.00 C ATOM 0 H PHE A 27 6.466 -8.611 2.888 1.00 0.00 H new ATOM 0 HA PHE A 27 5.885 -10.002 5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.528 -7.127 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.292 -7.396 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.848 -8.057 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.853 -8.230 8.195 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.608 -8.504 6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.610 -8.681 9.885 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.989 -8.816 9.194 1.00 0.00 H new ATOM 445 N LYS A 28 4.059 -9.152 3.120 1.00 0.00 N ATOM 446 CA LYS A 28 2.646 -9.118 2.624 1.00 0.00 C ATOM 447 C LYS A 28 2.072 -7.705 2.747 1.00 0.00 C ATOM 448 O LYS A 28 0.872 -7.515 2.793 1.00 0.00 O ATOM 449 CB LYS A 28 1.853 -10.092 3.511 1.00 0.00 C ATOM 450 CG LYS A 28 2.736 -11.273 3.927 1.00 0.00 C ATOM 451 CD LYS A 28 1.967 -12.583 3.745 1.00 0.00 C ATOM 452 CE LYS A 28 2.836 -13.585 2.982 1.00 0.00 C ATOM 453 NZ LYS A 28 2.634 -13.252 1.544 1.00 0.00 N ATOM 0 H LYS A 28 4.770 -9.225 2.392 1.00 0.00 H new ATOM 0 HA LYS A 28 2.590 -9.402 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.488 -9.572 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.978 -10.456 2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.646 -11.288 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.042 -11.162 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.690 -12.992 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.041 -12.400 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.885 -13.494 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.536 -14.611 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.199 -13.897 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.628 -13.354 1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.934 -12.272 1.369 1.00 0.00 H new ATOM 467 N LEU A 29 2.914 -6.710 2.791 1.00 0.00 N ATOM 468 CA LEU A 29 2.407 -5.309 2.900 1.00 0.00 C ATOM 469 C LEU A 29 3.029 -4.458 1.796 1.00 0.00 C ATOM 470 O LEU A 29 4.018 -4.833 1.202 1.00 0.00 O ATOM 471 CB LEU A 29 2.854 -4.808 4.277 1.00 0.00 C ATOM 472 CG LEU A 29 2.684 -5.921 5.312 1.00 0.00 C ATOM 473 CD1 LEU A 29 3.257 -5.464 6.654 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.198 -6.234 5.480 1.00 0.00 C ATOM 0 H LEU A 29 3.929 -6.804 2.756 1.00 0.00 H new ATOM 0 HA LEU A 29 1.324 -5.253 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.896 -4.491 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.266 -3.937 4.566 1.00 0.00 H new ATOM 0 HG LEU A 29 3.212 -6.813 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.135 -6.258 7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.316 -5.235 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.728 -4.572 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.074 -7.027 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.674 -5.340 5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.784 -6.559 4.525 1.00 0.00 H new ATOM 486 N CYS A 30 2.464 -3.320 1.506 1.00 0.00 N ATOM 487 CA CYS A 30 3.042 -2.474 0.429 1.00 0.00 C ATOM 488 C CYS A 30 4.140 -1.569 0.980 1.00 0.00 C ATOM 489 O CYS A 30 3.951 -0.859 1.939 1.00 0.00 O ATOM 490 CB CYS A 30 1.862 -1.668 -0.131 1.00 0.00 C ATOM 491 SG CYS A 30 1.563 -0.162 0.828 1.00 0.00 S ATOM 0 H CYS A 30 1.634 -2.943 1.964 1.00 0.00 H new ATOM 0 HA CYS A 30 3.516 -3.069 -0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.062 -1.404 -1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.964 -2.286 -0.126 1.00 0.00 H new ATOM 496 N ASN A 31 5.290 -1.592 0.371 1.00 0.00 N ATOM 497 CA ASN A 31 6.405 -0.727 0.856 1.00 0.00 C ATOM 498 C ASN A 31 6.744 0.329 -0.196 1.00 0.00 C ATOM 499 O ASN A 31 5.908 0.725 -0.984 1.00 0.00 O ATOM 500 CB ASN A 31 7.589 -1.670 1.070 1.00 0.00 C ATOM 501 CG ASN A 31 8.474 -1.126 2.192 1.00 0.00 C ATOM 502 OD1 ASN A 31 8.049 -0.296 2.970 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.698 -1.563 2.311 1.00 0.00 N ATOM 0 H ASN A 31 5.509 -2.170 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 31 6.144 -0.197 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.232 -2.668 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.165 -1.763 0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.296 -1.207 3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.056 -2.260 1.658 1.00 0.00 H new ATOM 510 N PHE A 32 7.964 0.788 -0.218 1.00 0.00 N ATOM 511 CA PHE A 32 8.351 1.817 -1.224 1.00 0.00 C ATOM 512 C PHE A 32 8.874 1.141 -2.492 1.00 0.00 C ATOM 513 O PHE A 32 8.796 -0.062 -2.643 1.00 0.00 O ATOM 514 CB PHE A 32 9.458 2.634 -0.558 1.00 0.00 C ATOM 515 CG PHE A 32 8.848 3.792 0.195 1.00 0.00 C ATOM 516 CD1 PHE A 32 8.240 4.839 -0.506 1.00 0.00 C ATOM 517 CD2 PHE A 32 8.893 3.819 1.594 1.00 0.00 C ATOM 518 CE1 PHE A 32 7.675 5.913 0.192 1.00 0.00 C ATOM 519 CE2 PHE A 32 8.330 4.893 2.292 1.00 0.00 C ATOM 520 CZ PHE A 32 7.720 5.940 1.591 1.00 0.00 C ATOM 0 H PHE A 32 8.709 0.496 0.415 1.00 0.00 H new ATOM 0 HA PHE A 32 7.508 2.442 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.029 2.004 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.155 3.003 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.207 4.819 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.362 3.011 2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.204 6.721 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.366 4.914 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.284 6.769 2.129 1.00 0.00 H new ATOM 530 N SER A 33 9.405 1.905 -3.402 1.00 0.00 N ATOM 531 CA SER A 33 9.934 1.308 -4.663 1.00 0.00 C ATOM 532 C SER A 33 11.377 1.761 -4.902 1.00 0.00 C ATOM 533 O SER A 33 11.865 1.752 -6.015 1.00 0.00 O ATOM 534 CB SER A 33 9.015 1.835 -5.763 1.00 0.00 C ATOM 535 OG SER A 33 9.754 1.975 -6.969 1.00 0.00 O ATOM 0 H SER A 33 9.497 2.918 -3.330 1.00 0.00 H new ATOM 0 HA SER A 33 9.949 0.219 -4.630 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.180 1.151 -5.913 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.592 2.796 -5.469 1.00 0.00 H new ATOM 0 HG SER A 33 10.513 1.355 -6.961 1.00 0.00 H new ATOM 541 N PHE A 34 12.065 2.157 -3.866 1.00 0.00 N ATOM 542 CA PHE A 34 13.477 2.608 -4.037 1.00 0.00 C ATOM 543 C PHE A 34 14.221 2.546 -2.699 1.00 0.00 C ATOM 544 O PHE A 34 15.354 3.022 -2.645 1.00 0.00 O ATOM 545 CB PHE A 34 13.375 4.052 -4.541 1.00 0.00 C ATOM 546 CG PHE A 34 13.062 4.980 -3.388 1.00 0.00 C ATOM 547 CD1 PHE A 34 11.903 4.784 -2.627 1.00 0.00 C ATOM 548 CD2 PHE A 34 13.932 6.033 -3.080 1.00 0.00 C ATOM 549 CE1 PHE A 34 11.614 5.642 -1.560 1.00 0.00 C ATOM 550 CE2 PHE A 34 13.643 6.890 -2.013 1.00 0.00 C ATOM 551 CZ PHE A 34 12.483 6.696 -1.252 1.00 0.00 C ATOM 0 H PHE A 34 11.712 2.188 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 34 14.032 1.977 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 34 14.312 4.348 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.597 4.127 -5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.232 3.971 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 34 14.826 6.184 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.720 5.491 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 34 14.315 7.702 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.259 7.358 -0.429 1.00 0.00 H new HETATM 561 N NH2 A 35 13.579 1.961 -1.627 1.00 0.00 N TER 564 NH2 A 35