USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 262 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 Single : A 1 LYS N :NH3+ 177:sc= -0.564 (180deg=-0.576) USER MOD Single : A 1 LYS NZ :NH3+ 146:sc= -1.87! (180deg=-3.76!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 82:sc= 0.787 USER MOD Single : A 10 GLN : amide:sc= -4.56! C(o=-4.6!,f=-2.9!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -7.4! C(o=-7.4!,f=-4.7!) USER MOD Single : A 22 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.0034) USER MOD Single : A 28 SER OG : rot 63:sc= 1.11 USER MOD Single : A 29 SER OG : rot 31:sc= 0.903 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.864! USER MOD Single : A 31 ASN : amide:sc= -0.628 K(o=-0.63,f=-15!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.132 USER MOD Single : A 35 ASN : amide:sc= -1.19! C(o=-1.2!,f=-5.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -12.317 -16.640 -1.446 1.00 0.00 N ATOM 2 CA LYS A 1 -12.494 -17.912 -0.688 1.00 0.00 C ATOM 3 C LYS A 1 -12.579 -19.098 -1.655 1.00 0.00 C ATOM 4 O LYS A 1 -13.609 -19.356 -2.244 1.00 0.00 O ATOM 5 CB LYS A 1 -13.813 -17.744 0.067 1.00 0.00 C ATOM 6 CG LYS A 1 -14.130 -19.029 0.834 1.00 0.00 C ATOM 7 CD LYS A 1 -15.347 -19.711 0.207 1.00 0.00 C ATOM 8 CE LYS A 1 -16.624 -19.016 0.685 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.836 -17.897 -0.277 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.312 -15.839 -0.783 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.415 -16.667 -1.964 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.100 -16.526 -2.121 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.660 -18.109 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.744 -16.903 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.618 -17.517 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.272 -19.700 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.327 -18.801 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.282 -19.667 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.369 -20.765 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.471 -19.702 0.685 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.514 -18.645 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.856 -17.748 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.408 -17.028 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.393 -18.133 -1.188 1.00 0.00 H new ATOM 25 N CYS A 2 -11.505 -19.822 -1.820 1.00 0.00 N ATOM 26 CA CYS A 2 -11.532 -20.991 -2.750 1.00 0.00 C ATOM 27 C CYS A 2 -11.862 -22.267 -1.975 1.00 0.00 C ATOM 28 O CYS A 2 -12.888 -22.886 -2.176 1.00 0.00 O ATOM 29 CB CYS A 2 -10.114 -21.104 -3.333 1.00 0.00 C ATOM 30 SG CYS A 2 -9.403 -19.464 -3.629 1.00 0.00 S ATOM 0 H CYS A 2 -10.613 -19.657 -1.354 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.284 -20.861 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.478 -21.662 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.144 -21.665 -4.267 1.00 0.00 H new ATOM 35 N ASN A 3 -10.983 -22.655 -1.093 1.00 0.00 N ATOM 36 CA ASN A 3 -11.188 -23.890 -0.286 1.00 0.00 C ATOM 37 C ASN A 3 -9.935 -24.108 0.553 1.00 0.00 C ATOM 38 O ASN A 3 -9.980 -24.599 1.663 1.00 0.00 O ATOM 39 CB ASN A 3 -11.353 -25.025 -1.300 1.00 0.00 C ATOM 40 CG ASN A 3 -12.183 -26.152 -0.680 1.00 0.00 C ATOM 41 OD1 ASN A 3 -13.339 -25.964 -0.357 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.637 -27.323 -0.501 1.00 0.00 N ATOM 0 H ASN A 3 -10.115 -22.158 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.052 -23.834 0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.842 -24.653 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.376 -25.403 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.181 -28.082 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.666 -27.480 -0.772 1.00 0.00 H new ATOM 49 N THR A 4 -8.812 -23.719 0.013 1.00 0.00 N ATOM 50 CA THR A 4 -7.530 -23.860 0.743 1.00 0.00 C ATOM 51 C THR A 4 -7.165 -22.524 1.370 1.00 0.00 C ATOM 52 O THR A 4 -6.916 -21.555 0.683 1.00 0.00 O ATOM 53 CB THR A 4 -6.510 -24.254 -0.326 1.00 0.00 C ATOM 54 OG1 THR A 4 -7.105 -25.181 -1.226 1.00 0.00 O ATOM 55 CG2 THR A 4 -5.292 -24.896 0.338 1.00 0.00 C ATOM 0 H THR A 4 -8.732 -23.305 -0.916 1.00 0.00 H new ATOM 0 HA THR A 4 -7.573 -24.597 1.545 1.00 0.00 H new ATOM 0 HB THR A 4 -6.195 -23.365 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.454 -25.434 -1.913 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.567 -25.176 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.837 -24.185 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.603 -25.785 0.886 1.00 0.00 H new ATOM 63 N ALA A 5 -7.138 -22.470 2.671 1.00 0.00 N ATOM 64 CA ALA A 5 -6.786 -21.200 3.367 1.00 0.00 C ATOM 65 C ALA A 5 -5.670 -20.485 2.607 1.00 0.00 C ATOM 66 O ALA A 5 -5.558 -19.276 2.639 1.00 0.00 O ATOM 67 CB ALA A 5 -6.309 -21.622 4.757 1.00 0.00 C ATOM 0 H ALA A 5 -7.346 -23.256 3.287 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.628 -20.510 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.031 -20.738 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.111 -22.151 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.444 -22.278 4.661 1.00 0.00 H new ATOM 73 N THR A 6 -4.856 -21.222 1.899 1.00 0.00 N ATOM 74 CA THR A 6 -3.773 -20.572 1.119 1.00 0.00 C ATOM 75 C THR A 6 -4.405 -19.762 -0.012 1.00 0.00 C ATOM 76 O THR A 6 -4.058 -18.625 -0.238 1.00 0.00 O ATOM 77 CB THR A 6 -2.911 -21.716 0.574 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.651 -21.202 0.166 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.604 -22.373 -0.619 1.00 0.00 C ATOM 0 H THR A 6 -4.896 -22.239 1.830 1.00 0.00 H new ATOM 0 HA THR A 6 -3.167 -19.889 1.714 1.00 0.00 H new ATOM 0 HB THR A 6 -2.769 -22.461 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.097 -21.932 -0.181 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.983 -23.185 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.569 -22.771 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.755 -21.633 -1.405 1.00 0.00 H new ATOM 87 N CYS A 7 -5.360 -20.331 -0.701 1.00 0.00 N ATOM 88 CA CYS A 7 -6.041 -19.578 -1.792 1.00 0.00 C ATOM 89 C CYS A 7 -7.017 -18.588 -1.168 1.00 0.00 C ATOM 90 O CYS A 7 -7.016 -17.413 -1.478 1.00 0.00 O ATOM 91 CB CYS A 7 -6.791 -20.627 -2.612 1.00 0.00 C ATOM 92 SG CYS A 7 -7.475 -19.850 -4.099 1.00 0.00 S ATOM 0 H CYS A 7 -5.696 -21.283 -0.555 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.345 -19.018 -2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.118 -21.438 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.591 -21.066 -2.017 1.00 0.00 H new ATOM 97 N ALA A 8 -7.839 -19.055 -0.269 1.00 0.00 N ATOM 98 CA ALA A 8 -8.800 -18.140 0.399 1.00 0.00 C ATOM 99 C ALA A 8 -8.031 -16.942 0.945 1.00 0.00 C ATOM 100 O ALA A 8 -8.364 -15.803 0.688 1.00 0.00 O ATOM 101 CB ALA A 8 -9.413 -18.959 1.535 1.00 0.00 C ATOM 0 H ALA A 8 -7.885 -20.029 0.030 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.572 -17.763 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.135 -18.347 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.915 -19.834 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.626 -19.280 2.218 1.00 0.00 H new ATOM 107 N THR A 9 -6.983 -17.195 1.680 1.00 0.00 N ATOM 108 CA THR A 9 -6.174 -16.074 2.219 1.00 0.00 C ATOM 109 C THR A 9 -5.638 -15.244 1.054 1.00 0.00 C ATOM 110 O THR A 9 -5.705 -14.030 1.060 1.00 0.00 O ATOM 111 CB THR A 9 -5.031 -16.738 2.988 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.564 -17.459 4.091 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.065 -15.667 3.495 1.00 0.00 C ATOM 0 H THR A 9 -6.655 -18.128 1.928 1.00 0.00 H new ATOM 0 HA THR A 9 -6.746 -15.406 2.863 1.00 0.00 H new ATOM 0 HB THR A 9 -4.496 -17.422 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.880 -18.336 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.251 -16.141 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.659 -15.113 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.596 -14.982 4.156 1.00 0.00 H new ATOM 121 N GLN A 10 -5.111 -15.888 0.044 1.00 0.00 N ATOM 122 CA GLN A 10 -4.587 -15.131 -1.114 1.00 0.00 C ATOM 123 C GLN A 10 -5.744 -14.499 -1.892 1.00 0.00 C ATOM 124 O GLN A 10 -5.555 -13.613 -2.703 1.00 0.00 O ATOM 125 CB GLN A 10 -3.853 -16.158 -1.983 1.00 0.00 C ATOM 126 CG GLN A 10 -2.590 -15.530 -2.584 1.00 0.00 C ATOM 127 CD GLN A 10 -2.902 -14.110 -3.057 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.205 -13.893 -4.213 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.837 -13.130 -2.201 1.00 0.00 N ATOM 0 H GLN A 10 -5.025 -16.902 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.924 -14.323 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.586 -17.029 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.509 -16.508 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.792 -15.510 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.233 -16.133 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.582 -13.316 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.041 -12.177 -2.501 1.00 0.00 H new ATOM 138 N ARG A 11 -6.948 -14.914 -1.614 1.00 0.00 N ATOM 139 CA ARG A 11 -8.115 -14.309 -2.307 1.00 0.00 C ATOM 140 C ARG A 11 -8.560 -13.159 -1.441 1.00 0.00 C ATOM 141 O ARG A 11 -8.642 -12.022 -1.861 1.00 0.00 O ATOM 142 CB ARG A 11 -9.181 -15.406 -2.365 1.00 0.00 C ATOM 143 CG ARG A 11 -9.967 -15.284 -3.672 1.00 0.00 C ATOM 144 CD ARG A 11 -9.290 -16.126 -4.758 1.00 0.00 C ATOM 145 NE ARG A 11 -8.173 -15.281 -5.265 1.00 0.00 N ATOM 146 CZ ARG A 11 -7.160 -15.836 -5.872 1.00 0.00 C ATOM 147 NH1 ARG A 11 -7.319 -16.374 -7.051 1.00 0.00 N ATOM 148 NH2 ARG A 11 -5.986 -15.853 -5.301 1.00 0.00 N ATOM 0 H ARG A 11 -7.173 -15.644 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.908 -13.947 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.712 -16.388 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.855 -15.318 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.993 -15.620 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.015 -14.241 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.919 -17.068 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.989 -16.376 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.200 -14.269 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.236 -16.361 -7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.527 -16.808 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.861 -15.432 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.194 -16.287 -5.776 1.00 0.00 H new ATOM 162 N LEU A 12 -8.777 -13.457 -0.201 1.00 0.00 N ATOM 163 CA LEU A 12 -9.139 -12.403 0.760 1.00 0.00 C ATOM 164 C LEU A 12 -8.106 -11.289 0.653 1.00 0.00 C ATOM 165 O LEU A 12 -8.428 -10.119 0.629 1.00 0.00 O ATOM 166 CB LEU A 12 -9.056 -13.107 2.107 1.00 0.00 C ATOM 167 CG LEU A 12 -10.430 -13.655 2.492 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.662 -14.992 1.787 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.486 -13.860 4.008 1.00 0.00 C ATOM 0 H LEU A 12 -8.718 -14.397 0.190 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.119 -11.955 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.331 -13.920 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.705 -12.412 2.870 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.203 -12.948 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.642 -15.383 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.619 -14.846 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.891 -15.701 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.465 -14.251 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.714 -14.568 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.320 -12.907 4.510 1.00 0.00 H new ATOM 181 N ALA A 13 -6.860 -11.658 0.552 1.00 0.00 N ATOM 182 CA ALA A 13 -5.796 -10.634 0.403 1.00 0.00 C ATOM 183 C ALA A 13 -6.022 -9.900 -0.916 1.00 0.00 C ATOM 184 O ALA A 13 -5.735 -8.726 -1.050 1.00 0.00 O ATOM 185 CB ALA A 13 -4.484 -11.417 0.373 1.00 0.00 C ATOM 0 H ALA A 13 -6.535 -12.625 0.566 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.789 -9.896 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.649 -10.724 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.373 -11.976 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.493 -12.109 -0.469 1.00 0.00 H new ATOM 191 N ASN A 14 -6.563 -10.589 -1.886 1.00 0.00 N ATOM 192 CA ASN A 14 -6.843 -9.946 -3.197 1.00 0.00 C ATOM 193 C ASN A 14 -7.669 -8.687 -2.959 1.00 0.00 C ATOM 194 O ASN A 14 -7.309 -7.610 -3.383 1.00 0.00 O ATOM 195 CB ASN A 14 -7.644 -10.979 -3.991 1.00 0.00 C ATOM 196 CG ASN A 14 -7.509 -10.690 -5.487 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.419 -10.169 -6.101 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.405 -11.010 -6.103 1.00 0.00 N ATOM 0 H ASN A 14 -6.823 -11.573 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.939 -9.655 -3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.282 -11.983 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.693 -10.946 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.305 -10.823 -7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.641 -11.447 -5.587 1.00 0.00 H new ATOM 205 N PHE A 15 -8.760 -8.805 -2.250 1.00 0.00 N ATOM 206 CA PHE A 15 -9.570 -7.593 -1.964 1.00 0.00 C ATOM 207 C PHE A 15 -8.692 -6.628 -1.177 1.00 0.00 C ATOM 208 O PHE A 15 -8.916 -5.434 -1.155 1.00 0.00 O ATOM 209 CB PHE A 15 -10.757 -8.050 -1.108 1.00 0.00 C ATOM 210 CG PHE A 15 -11.267 -9.390 -1.586 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.447 -9.626 -2.954 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.553 -10.398 -0.657 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.916 -10.870 -3.392 1.00 0.00 C ATOM 214 CE2 PHE A 15 -12.023 -11.641 -1.095 1.00 0.00 C ATOM 215 CZ PHE A 15 -12.203 -11.878 -2.463 1.00 0.00 C ATOM 0 H PHE A 15 -9.119 -9.677 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.926 -7.100 -2.869 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.454 -8.121 -0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.556 -7.310 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.224 -8.849 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.411 -10.216 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.057 -11.053 -4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.247 -12.417 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.563 -12.838 -2.802 1.00 0.00 H new ATOM 225 N LEU A 16 -7.674 -7.150 -0.541 1.00 0.00 N ATOM 226 CA LEU A 16 -6.753 -6.276 0.238 1.00 0.00 C ATOM 227 C LEU A 16 -5.837 -5.526 -0.728 1.00 0.00 C ATOM 228 O LEU A 16 -5.536 -4.365 -0.549 1.00 0.00 O ATOM 229 CB LEU A 16 -5.945 -7.228 1.118 1.00 0.00 C ATOM 230 CG LEU A 16 -5.923 -6.705 2.554 1.00 0.00 C ATOM 231 CD1 LEU A 16 -7.319 -6.836 3.165 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.927 -7.525 3.377 1.00 0.00 C ATOM 0 H LEU A 16 -7.443 -8.143 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.280 -5.533 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.384 -8.225 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.928 -7.316 0.737 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.623 -5.657 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.304 -6.463 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.029 -6.255 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.620 -7.884 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.909 -7.154 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.229 -8.572 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.932 -7.434 2.941 1.00 0.00 H new ATOM 244 N VAL A 17 -5.405 -6.183 -1.765 1.00 0.00 N ATOM 245 CA VAL A 17 -4.524 -5.506 -2.753 1.00 0.00 C ATOM 246 C VAL A 17 -5.386 -4.821 -3.816 1.00 0.00 C ATOM 247 O VAL A 17 -5.071 -3.759 -4.303 1.00 0.00 O ATOM 248 CB VAL A 17 -3.687 -6.624 -3.377 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.581 -6.012 -4.238 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.056 -7.472 -2.268 1.00 0.00 C ATOM 0 H VAL A 17 -5.623 -7.158 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.894 -4.741 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.327 -7.253 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.984 -6.808 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.027 -5.408 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.943 -5.383 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.460 -8.268 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.417 -6.843 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.842 -7.909 -1.652 1.00 0.00 H new ATOM 260 N HIS A 18 -6.475 -5.429 -4.178 1.00 0.00 N ATOM 261 CA HIS A 18 -7.361 -4.825 -5.213 1.00 0.00 C ATOM 262 C HIS A 18 -8.151 -3.644 -4.643 1.00 0.00 C ATOM 263 O HIS A 18 -8.167 -2.566 -5.203 1.00 0.00 O ATOM 264 CB HIS A 18 -8.316 -5.950 -5.605 1.00 0.00 C ATOM 265 CG HIS A 18 -7.694 -6.783 -6.690 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.285 -6.929 -7.950 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.537 -7.527 -6.726 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.487 -7.734 -8.683 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.433 -8.107 -7.974 1.00 0.00 N ATOM 0 H HIS A 18 -6.794 -6.322 -3.802 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.791 -4.439 -6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.538 -6.571 -4.737 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.263 -5.534 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.831 -7.638 -5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.681 -8.032 -9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.679 -8.715 -8.293 1.00 0.00 H new ATOM 277 N SER A 19 -8.833 -3.849 -3.553 1.00 0.00 N ATOM 278 CA SER A 19 -9.654 -2.749 -2.971 1.00 0.00 C ATOM 279 C SER A 19 -8.876 -1.929 -1.934 1.00 0.00 C ATOM 280 O SER A 19 -9.128 -0.755 -1.752 1.00 0.00 O ATOM 281 CB SER A 19 -10.839 -3.458 -2.315 1.00 0.00 C ATOM 282 OG SER A 19 -12.005 -2.660 -2.468 1.00 0.00 O ATOM 0 H SER A 19 -8.859 -4.729 -3.039 1.00 0.00 H new ATOM 0 HA SER A 19 -9.957 -2.035 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.991 -4.436 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.636 -3.628 -1.258 1.00 0.00 H new ATOM 0 HG SER A 19 -12.768 -3.112 -2.050 1.00 0.00 H new ATOM 288 N SER A 20 -7.963 -2.532 -1.226 1.00 0.00 N ATOM 289 CA SER A 20 -7.222 -1.766 -0.179 1.00 0.00 C ATOM 290 C SER A 20 -5.935 -1.124 -0.716 1.00 0.00 C ATOM 291 O SER A 20 -5.486 -0.122 -0.197 1.00 0.00 O ATOM 292 CB SER A 20 -6.901 -2.792 0.904 1.00 0.00 C ATOM 293 OG SER A 20 -7.439 -2.351 2.143 1.00 0.00 O ATOM 0 H SER A 20 -7.698 -3.512 -1.323 1.00 0.00 H new ATOM 0 HA SER A 20 -7.822 -0.934 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.320 -3.762 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.822 -2.923 0.989 1.00 0.00 H new ATOM 0 HG SER A 20 -7.236 -3.009 2.840 1.00 0.00 H new ATOM 299 N ASN A 21 -5.324 -1.671 -1.729 1.00 0.00 N ATOM 300 CA ASN A 21 -4.066 -1.042 -2.233 1.00 0.00 C ATOM 301 C ASN A 21 -4.386 0.192 -3.080 1.00 0.00 C ATOM 302 O ASN A 21 -3.513 0.965 -3.399 1.00 0.00 O ATOM 303 CB ASN A 21 -3.349 -2.132 -3.051 1.00 0.00 C ATOM 304 CG ASN A 21 -3.419 -1.832 -4.558 1.00 0.00 C ATOM 305 OD1 ASN A 21 -2.416 -1.865 -5.243 1.00 0.00 O ATOM 306 ND2 ASN A 21 -4.570 -1.537 -5.100 1.00 0.00 N ATOM 0 H ASN A 21 -5.631 -2.509 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.430 -0.691 -1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.307 -2.198 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.805 -3.101 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.627 -1.334 -6.098 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.412 -1.509 -4.525 1.00 0.00 H new ATOM 313 N ASN A 22 -5.619 0.381 -3.458 1.00 0.00 N ATOM 314 CA ASN A 22 -5.956 1.573 -4.294 1.00 0.00 C ATOM 315 C ASN A 22 -5.224 2.815 -3.772 1.00 0.00 C ATOM 316 O ASN A 22 -4.357 3.367 -4.429 1.00 0.00 O ATOM 317 CB ASN A 22 -7.467 1.743 -4.159 1.00 0.00 C ATOM 318 CG ASN A 22 -8.011 2.446 -5.405 1.00 0.00 C ATOM 319 OD1 ASN A 22 -9.041 2.070 -5.928 1.00 0.00 O ATOM 320 ND2 ASN A 22 -7.356 3.458 -5.907 1.00 0.00 N ATOM 0 H ASN A 22 -6.403 -0.230 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.654 1.443 -5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.944 0.771 -4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.701 2.325 -3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.709 3.933 -6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.491 3.774 -5.468 1.00 0.00 H new ATOM 327 N PHE A 23 -5.566 3.258 -2.597 1.00 0.00 N ATOM 328 CA PHE A 23 -4.896 4.465 -2.029 1.00 0.00 C ATOM 329 C PHE A 23 -3.392 4.221 -1.885 1.00 0.00 C ATOM 330 O PHE A 23 -2.595 5.130 -1.999 1.00 0.00 O ATOM 331 CB PHE A 23 -5.550 4.678 -0.660 1.00 0.00 C ATOM 332 CG PHE A 23 -5.024 3.667 0.332 1.00 0.00 C ATOM 333 CD1 PHE A 23 -3.738 3.812 0.867 1.00 0.00 C ATOM 334 CD2 PHE A 23 -5.827 2.589 0.724 1.00 0.00 C ATOM 335 CE1 PHE A 23 -3.254 2.878 1.792 1.00 0.00 C ATOM 336 CE2 PHE A 23 -5.342 1.655 1.647 1.00 0.00 C ATOM 337 CZ PHE A 23 -4.057 1.799 2.182 1.00 0.00 C ATOM 0 H PHE A 23 -6.281 2.838 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.009 5.340 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.346 5.688 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.632 4.584 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.119 4.644 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.820 2.478 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.262 2.990 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.961 0.822 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.685 1.078 2.895 1.00 0.00 H new ATOM 347 N GLY A 24 -2.996 3.004 -1.639 1.00 0.00 N ATOM 348 CA GLY A 24 -1.541 2.710 -1.490 1.00 0.00 C ATOM 349 C GLY A 24 -0.888 2.650 -2.872 1.00 0.00 C ATOM 350 O GLY A 24 0.311 2.792 -3.011 1.00 0.00 O ATOM 0 H GLY A 24 -3.615 2.200 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.064 3.480 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.402 1.763 -0.969 1.00 0.00 H new ATOM 354 N ALA A 25 -1.668 2.439 -3.895 1.00 0.00 N ATOM 355 CA ALA A 25 -1.101 2.366 -5.269 1.00 0.00 C ATOM 356 C ALA A 25 -0.827 3.774 -5.795 1.00 0.00 C ATOM 357 O ALA A 25 -0.041 3.967 -6.702 1.00 0.00 O ATOM 358 CB ALA A 25 -2.175 1.669 -6.107 1.00 0.00 C ATOM 0 H ALA A 25 -2.679 2.313 -3.838 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.155 1.826 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.830 1.577 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.368 0.677 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.093 2.256 -6.083 1.00 0.00 H new ATOM 364 N ILE A 26 -1.454 4.763 -5.221 1.00 0.00 N ATOM 365 CA ILE A 26 -1.207 6.160 -5.678 1.00 0.00 C ATOM 366 C ILE A 26 -0.068 6.709 -4.849 1.00 0.00 C ATOM 367 O ILE A 26 0.904 7.228 -5.360 1.00 0.00 O ATOM 368 CB ILE A 26 -2.521 6.897 -5.417 1.00 0.00 C ATOM 369 CG1 ILE A 26 -3.701 6.001 -5.829 1.00 0.00 C ATOM 370 CG2 ILE A 26 -2.553 8.192 -6.230 1.00 0.00 C ATOM 371 CD1 ILE A 26 -3.316 5.142 -7.043 1.00 0.00 C ATOM 0 H ILE A 26 -2.124 4.666 -4.458 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.929 6.254 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.599 7.135 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.988 5.359 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.568 6.617 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.490 8.716 -6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.717 8.827 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.474 7.957 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.160 4.512 -7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.052 5.790 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.463 4.513 -6.788 1.00 0.00 H new ATOM 383 N LEU A 27 -0.147 6.516 -3.569 1.00 0.00 N ATOM 384 CA LEU A 27 0.967 6.933 -2.699 1.00 0.00 C ATOM 385 C LEU A 27 2.237 6.330 -3.297 1.00 0.00 C ATOM 386 O LEU A 27 3.334 6.825 -3.128 1.00 0.00 O ATOM 387 CB LEU A 27 0.631 6.289 -1.358 1.00 0.00 C ATOM 388 CG LEU A 27 -0.191 7.259 -0.506 1.00 0.00 C ATOM 389 CD1 LEU A 27 0.721 8.364 0.025 1.00 0.00 C ATOM 390 CD2 LEU A 27 -1.300 7.880 -1.357 1.00 0.00 C ATOM 0 H LEU A 27 -0.938 6.086 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 27 1.109 8.009 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.071 5.367 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.548 6.019 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.637 6.719 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.138 9.056 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.510 7.923 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.166 8.902 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.883 8.570 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.857 8.420 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.951 7.093 -1.737 1.00 0.00 H new ATOM 402 N SER A 28 2.059 5.250 -4.016 1.00 0.00 N ATOM 403 CA SER A 28 3.191 4.553 -4.677 1.00 0.00 C ATOM 404 C SER A 28 3.632 5.317 -5.931 1.00 0.00 C ATOM 405 O SER A 28 4.471 4.859 -6.682 1.00 0.00 O ATOM 406 CB SER A 28 2.594 3.205 -5.079 1.00 0.00 C ATOM 407 OG SER A 28 2.543 2.352 -3.944 1.00 0.00 O ATOM 0 H SER A 28 1.150 4.816 -4.173 1.00 0.00 H new ATOM 0 HA SER A 28 4.067 4.466 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.593 3.346 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.197 2.748 -5.864 1.00 0.00 H new ATOM 0 HG SER A 28 1.944 2.738 -3.271 1.00 0.00 H new ATOM 413 N SER A 29 3.063 6.467 -6.177 1.00 0.00 N ATOM 414 CA SER A 29 3.447 7.231 -7.397 1.00 0.00 C ATOM 415 C SER A 29 2.689 8.557 -7.457 1.00 0.00 C ATOM 416 O SER A 29 2.083 8.892 -8.455 1.00 0.00 O ATOM 417 CB SER A 29 3.039 6.332 -8.560 1.00 0.00 C ATOM 418 OG SER A 29 4.141 5.515 -8.932 1.00 0.00 O ATOM 0 H SER A 29 2.354 6.907 -5.590 1.00 0.00 H new ATOM 0 HA SER A 29 4.509 7.475 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.191 5.710 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.718 6.938 -9.408 1.00 0.00 H new ATOM 0 HG SER A 29 4.691 5.328 -8.143 1.00 0.00 H new ATOM 424 N THR A 30 2.735 9.325 -6.407 1.00 0.00 N ATOM 425 CA THR A 30 2.029 10.644 -6.424 1.00 0.00 C ATOM 426 C THR A 30 3.018 11.719 -6.852 1.00 0.00 C ATOM 427 O THR A 30 2.984 12.215 -7.960 1.00 0.00 O ATOM 428 CB THR A 30 1.514 10.928 -4.991 1.00 0.00 C ATOM 429 OG1 THR A 30 1.979 12.199 -4.564 1.00 0.00 O ATOM 430 CG2 THR A 30 1.977 9.863 -3.990 1.00 0.00 C ATOM 0 H THR A 30 3.226 9.103 -5.541 1.00 0.00 H new ATOM 0 HA THR A 30 1.190 10.636 -7.120 1.00 0.00 H new ATOM 0 HB THR A 30 0.425 10.908 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.652 12.380 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.592 10.103 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.602 8.887 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.066 9.840 -3.961 1.00 0.00 H new ATOM 438 N ASN A 31 3.912 12.059 -5.979 1.00 0.00 N ATOM 439 CA ASN A 31 4.938 13.083 -6.311 1.00 0.00 C ATOM 440 C ASN A 31 6.329 12.479 -6.120 1.00 0.00 C ATOM 441 O ASN A 31 7.330 13.101 -6.404 1.00 0.00 O ATOM 442 CB ASN A 31 4.705 14.225 -5.321 1.00 0.00 C ATOM 443 CG ASN A 31 4.720 13.673 -3.896 1.00 0.00 C ATOM 444 OD1 ASN A 31 5.327 12.654 -3.632 1.00 0.00 O ATOM 445 ND2 ASN A 31 4.073 14.308 -2.958 1.00 0.00 N ATOM 0 H ASN A 31 3.980 11.670 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 31 4.868 13.432 -7.341 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.478 14.985 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.750 14.709 -5.525 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.077 13.949 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.563 15.163 -3.179 1.00 0.00 H new ATOM 452 N VAL A 32 6.388 11.265 -5.631 1.00 0.00 N ATOM 453 CA VAL A 32 7.705 10.599 -5.407 1.00 0.00 C ATOM 454 C VAL A 32 8.591 11.481 -4.515 1.00 0.00 C ATOM 455 O VAL A 32 9.790 11.550 -4.692 1.00 0.00 O ATOM 456 CB VAL A 32 8.294 10.385 -6.818 1.00 0.00 C ATOM 457 CG1 VAL A 32 9.348 11.446 -7.173 1.00 0.00 C ATOM 458 CG2 VAL A 32 8.942 9.001 -6.881 1.00 0.00 C ATOM 0 H VAL A 32 5.575 10.705 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 32 7.623 9.646 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 32 7.479 10.470 -7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.734 11.255 -8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.892 12.436 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.166 11.401 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.361 8.840 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.736 8.937 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.191 8.238 -6.676 1.00 0.00 H new ATOM 468 N GLY A 33 7.982 12.145 -3.557 1.00 0.00 N ATOM 469 CA GLY A 33 8.729 13.044 -2.614 1.00 0.00 C ATOM 470 C GLY A 33 10.215 12.679 -2.568 1.00 0.00 C ATOM 471 O GLY A 33 11.075 13.523 -2.730 1.00 0.00 O ATOM 0 H GLY A 33 6.977 12.100 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.615 14.081 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.301 12.965 -1.615 1.00 0.00 H new ATOM 475 N SER A 34 10.526 11.429 -2.363 1.00 0.00 N ATOM 476 CA SER A 34 11.959 11.021 -2.324 1.00 0.00 C ATOM 477 C SER A 34 12.581 11.191 -3.712 1.00 0.00 C ATOM 478 O SER A 34 12.736 10.241 -4.453 1.00 0.00 O ATOM 479 CB SER A 34 11.942 9.547 -1.921 1.00 0.00 C ATOM 480 OG SER A 34 10.802 9.295 -1.110 1.00 0.00 O ATOM 0 H SER A 34 9.854 10.675 -2.221 1.00 0.00 H new ATOM 0 HA SER A 34 12.546 11.622 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.918 8.916 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.852 9.296 -1.377 1.00 0.00 H new ATOM 0 HG SER A 34 10.787 8.350 -0.851 1.00 0.00 H new ATOM 486 N ASN A 35 12.931 12.396 -4.074 1.00 0.00 N ATOM 487 CA ASN A 35 13.533 12.623 -5.419 1.00 0.00 C ATOM 488 C ASN A 35 14.430 13.862 -5.401 1.00 0.00 C ATOM 489 O ASN A 35 14.518 14.563 -4.412 1.00 0.00 O ATOM 490 CB ASN A 35 12.337 12.837 -6.352 1.00 0.00 C ATOM 491 CG ASN A 35 11.774 14.247 -6.154 1.00 0.00 C ATOM 492 OD1 ASN A 35 12.426 15.224 -6.466 1.00 0.00 O ATOM 493 ND2 ASN A 35 10.581 14.395 -5.645 1.00 0.00 N ATOM 0 H ASN A 35 12.826 13.231 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 35 14.158 11.789 -5.738 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.643 12.700 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.566 12.095 -6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.197 15.330 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.033 13.576 -5.383 1.00 0.00 H new ATOM 500 N THR A 36 15.090 14.142 -6.492 1.00 0.00 N ATOM 501 CA THR A 36 15.975 15.340 -6.539 1.00 0.00 C ATOM 502 C THR A 36 15.218 16.569 -6.028 1.00 0.00 C ATOM 503 O THR A 36 14.388 17.129 -6.716 1.00 0.00 O ATOM 504 CB THR A 36 16.341 15.508 -8.017 1.00 0.00 C ATOM 505 OG1 THR A 36 16.869 16.811 -8.225 1.00 0.00 O ATOM 506 CG2 THR A 36 15.093 15.317 -8.882 1.00 0.00 C ATOM 0 H THR A 36 15.055 13.594 -7.351 1.00 0.00 H new ATOM 0 HA THR A 36 16.861 15.227 -5.914 1.00 0.00 H new ATOM 0 HB THR A 36 17.087 14.763 -8.294 1.00 0.00 H new ATOM 0 HG1 THR A 36 17.106 16.921 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.357 15.437 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.688 14.318 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.344 16.060 -8.609 1.00 0.00 H new ATOM 514 N TYR A 37 15.495 16.988 -4.824 1.00 0.00 N ATOM 515 CA TYR A 37 14.788 18.177 -4.267 1.00 0.00 C ATOM 516 C TYR A 37 14.697 19.284 -5.322 1.00 0.00 C ATOM 517 O TYR A 37 15.673 19.489 -6.025 1.00 0.00 O ATOM 518 CB TYR A 37 15.643 18.627 -3.077 1.00 0.00 C ATOM 519 CG TYR A 37 16.859 19.379 -3.569 1.00 0.00 C ATOM 520 CD1 TYR A 37 17.727 18.786 -4.495 1.00 0.00 C ATOM 521 CD2 TYR A 37 17.114 20.674 -3.100 1.00 0.00 C ATOM 522 CE1 TYR A 37 18.850 19.486 -4.950 1.00 0.00 C ATOM 523 CE2 TYR A 37 18.238 21.374 -3.556 1.00 0.00 C ATOM 524 CZ TYR A 37 19.106 20.780 -4.480 1.00 0.00 C ATOM 525 OH TYR A 37 20.214 21.471 -4.928 1.00 0.00 O ATOM 526 OXT TYR A 37 13.652 19.910 -5.408 1.00 0.00 O ATOM 0 H TYR A 37 16.180 16.559 -4.202 1.00 0.00 H new ATOM 0 HA TYR A 37 13.766 17.947 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.055 19.263 -2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.953 17.760 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 37 17.529 17.788 -4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 37 16.444 21.132 -2.387 1.00 0.00 H new ATOM 0 HE1 TYR A 37 19.519 19.028 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.435 22.372 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 37 20.243 22.354 -4.504 1.00 0.00 H new TER 536 TYR A 37