USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 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+ -140:sc= -0.497 (180deg=-2.71!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.08) 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 127:sc= 1.1 USER MOD Single : A 10 GLN : amide:sc= -0.617 K(o=-0.62,f=-0.042) USER MOD Single : A 14 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.5!) USER MOD Single : A 18 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.08) USER MOD Single : A 19 SER OG : rot -29:sc= 0.164 USER MOD Single : A 20 SER OG : rot -122:sc= 0.561 USER MOD Single : A 21 ASN : amide:sc= -0.0977 X(o=-0.098,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.067) USER MOD Single : A 28 SER OG : rot 71:sc= 1.04 USER MOD Single : A 29 SER OG : rot -22:sc= 0.0702 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -11.5! C(o=-12!,f=-9.5!) USER MOD Single : A 34 SER OG : rot -62:sc= 1.1 USER MOD Single : A 35 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.8!) USER MOD Single : A 36 THR OG1 : rot 18:sc= 1.02 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.127 -20.576 2.887 1.00 0.00 N ATOM 2 CA LYS A 1 -13.078 -19.865 2.102 1.00 0.00 C ATOM 3 C LYS A 1 -12.759 -20.639 0.818 1.00 0.00 C ATOM 4 O LYS A 1 -13.392 -21.628 0.503 1.00 0.00 O ATOM 5 CB LYS A 1 -11.853 -19.829 3.019 1.00 0.00 C ATOM 6 CG LYS A 1 -12.239 -19.219 4.368 1.00 0.00 C ATOM 7 CD LYS A 1 -11.652 -20.070 5.496 1.00 0.00 C ATOM 8 CE LYS A 1 -11.530 -19.227 6.766 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.961 -20.154 7.783 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.790 -19.882 3.289 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.644 -21.229 2.264 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.680 -21.114 3.657 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.396 -18.866 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.464 -20.837 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.058 -19.243 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.867 -18.197 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.324 -19.170 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.289 -20.935 5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.673 -20.451 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.881 -18.366 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.500 -18.842 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.846 -19.651 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.604 -20.961 7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.035 -20.499 7.459 1.00 0.00 H new ATOM 25 N CYS A 2 -11.779 -20.197 0.081 1.00 0.00 N ATOM 26 CA CYS A 2 -11.408 -20.904 -1.178 1.00 0.00 C ATOM 27 C CYS A 2 -11.346 -22.416 -0.933 1.00 0.00 C ATOM 28 O CYS A 2 -12.252 -23.150 -1.276 1.00 0.00 O ATOM 29 CB CYS A 2 -10.022 -20.356 -1.530 1.00 0.00 C ATOM 30 SG CYS A 2 -9.399 -21.169 -3.022 1.00 0.00 S ATOM 0 H CYS A 2 -11.217 -19.374 0.296 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.129 -20.744 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.077 -19.279 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.334 -20.522 -0.701 1.00 0.00 H new ATOM 35 N ASN A 3 -10.282 -22.879 -0.337 1.00 0.00 N ATOM 36 CA ASN A 3 -10.143 -24.335 -0.056 1.00 0.00 C ATOM 37 C ASN A 3 -8.790 -24.568 0.608 1.00 0.00 C ATOM 38 O ASN A 3 -8.640 -25.398 1.482 1.00 0.00 O ATOM 39 CB ASN A 3 -10.201 -25.022 -1.422 1.00 0.00 C ATOM 40 CG ASN A 3 -10.787 -26.424 -1.257 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.210 -27.394 -1.705 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.919 -26.573 -0.625 1.00 0.00 N ATOM 0 H ASN A 3 -9.496 -22.305 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 3 -10.918 -24.720 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.813 -24.438 -2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.202 -25.081 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.319 -27.504 -0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.404 -25.758 -0.249 1.00 0.00 H new ATOM 49 N THR A 4 -7.813 -23.812 0.203 1.00 0.00 N ATOM 50 CA THR A 4 -6.462 -23.939 0.802 1.00 0.00 C ATOM 51 C THR A 4 -6.054 -22.601 1.397 1.00 0.00 C ATOM 52 O THR A 4 -6.000 -21.597 0.716 1.00 0.00 O ATOM 53 CB THR A 4 -5.547 -24.338 -0.355 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.221 -25.273 -1.185 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.273 -24.974 0.202 1.00 0.00 C ATOM 0 H THR A 4 -7.895 -23.103 -0.526 1.00 0.00 H new ATOM 0 HA THR A 4 -6.416 -24.674 1.605 1.00 0.00 H new ATOM 0 HB THR A 4 -5.286 -23.455 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.638 -25.530 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.619 -25.259 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.759 -24.257 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.532 -25.859 0.783 1.00 0.00 H new ATOM 63 N ALA A 5 -5.775 -22.587 2.670 1.00 0.00 N ATOM 64 CA ALA A 5 -5.369 -21.321 3.342 1.00 0.00 C ATOM 65 C ALA A 5 -4.447 -20.510 2.431 1.00 0.00 C ATOM 66 O ALA A 5 -4.356 -19.307 2.547 1.00 0.00 O ATOM 67 CB ALA A 5 -4.629 -21.764 4.605 1.00 0.00 C ATOM 0 H ALA A 5 -5.811 -23.405 3.279 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.222 -20.683 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.296 -20.886 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.298 -22.355 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.765 -22.367 4.328 1.00 0.00 H new ATOM 73 N THR A 6 -3.775 -21.154 1.516 1.00 0.00 N ATOM 74 CA THR A 6 -2.878 -20.407 0.591 1.00 0.00 C ATOM 75 C THR A 6 -3.723 -19.660 -0.442 1.00 0.00 C ATOM 76 O THR A 6 -3.448 -18.529 -0.786 1.00 0.00 O ATOM 77 CB THR A 6 -2.025 -21.476 -0.092 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.018 -20.850 -0.875 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.917 -22.328 -0.991 1.00 0.00 C ATOM 0 H THR A 6 -3.809 -22.163 1.370 1.00 0.00 H new ATOM 0 HA THR A 6 -2.262 -19.672 1.108 1.00 0.00 H new ATOM 0 HB THR A 6 -1.554 -22.108 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.470 -21.535 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.315 -23.093 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.690 -22.806 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.384 -21.695 -1.745 1.00 0.00 H new ATOM 87 N CYS A 7 -4.755 -20.288 -0.933 1.00 0.00 N ATOM 88 CA CYS A 7 -5.627 -19.620 -1.940 1.00 0.00 C ATOM 89 C CYS A 7 -6.548 -18.622 -1.246 1.00 0.00 C ATOM 90 O CYS A 7 -6.544 -17.445 -1.544 1.00 0.00 O ATOM 91 CB CYS A 7 -6.430 -20.754 -2.574 1.00 0.00 C ATOM 92 SG CYS A 7 -7.789 -20.065 -3.553 1.00 0.00 S ATOM 0 H CYS A 7 -5.033 -21.236 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.060 -19.062 -2.685 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.783 -21.361 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.824 -21.411 -1.799 1.00 0.00 H new ATOM 97 N ALA A 8 -7.330 -19.082 -0.315 1.00 0.00 N ATOM 98 CA ALA A 8 -8.241 -18.154 0.407 1.00 0.00 C ATOM 99 C ALA A 8 -7.450 -16.942 0.895 1.00 0.00 C ATOM 100 O ALA A 8 -7.861 -15.812 0.732 1.00 0.00 O ATOM 101 CB ALA A 8 -8.779 -18.961 1.587 1.00 0.00 C ATOM 0 H ALA A 8 -7.379 -20.058 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.049 -17.782 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.461 -18.342 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.311 -19.837 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.949 -19.280 2.218 1.00 0.00 H new ATOM 107 N THR A 9 -6.308 -17.169 1.483 1.00 0.00 N ATOM 108 CA THR A 9 -5.485 -16.027 1.968 1.00 0.00 C ATOM 109 C THR A 9 -5.020 -15.184 0.783 1.00 0.00 C ATOM 110 O THR A 9 -5.056 -13.969 0.819 1.00 0.00 O ATOM 111 CB THR A 9 -4.281 -16.662 2.659 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.700 -17.298 3.859 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.248 -15.582 2.983 1.00 0.00 C ATOM 0 H THR A 9 -5.910 -18.094 1.648 1.00 0.00 H new ATOM 0 HA THR A 9 -6.044 -15.375 2.639 1.00 0.00 H new ATOM 0 HB THR A 9 -3.833 -17.403 1.997 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.393 -18.229 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.389 -16.037 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.924 -15.100 2.061 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.694 -14.838 3.643 1.00 0.00 H new ATOM 121 N GLN A 10 -4.569 -15.820 -0.265 1.00 0.00 N ATOM 122 CA GLN A 10 -4.087 -15.057 -1.446 1.00 0.00 C ATOM 123 C GLN A 10 -5.259 -14.545 -2.288 1.00 0.00 C ATOM 124 O GLN A 10 -5.091 -13.714 -3.159 1.00 0.00 O ATOM 125 CB GLN A 10 -3.250 -16.055 -2.246 1.00 0.00 C ATOM 126 CG GLN A 10 -2.201 -15.300 -3.064 1.00 0.00 C ATOM 127 CD GLN A 10 -0.844 -15.418 -2.371 1.00 0.00 C ATOM 128 OE1 GLN A 10 0.182 -15.486 -3.020 1.00 0.00 O ATOM 129 NE2 GLN A 10 -0.795 -15.449 -1.068 1.00 0.00 N ATOM 0 H GLN A 10 -4.515 -16.835 -0.352 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.514 -14.178 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.763 -16.760 -1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.892 -16.637 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.145 -15.710 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.483 -14.252 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.656 -15.392 -0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.104 -15.530 -0.593 1.00 0.00 H new ATOM 138 N ARG A 11 -6.449 -15.000 -2.020 1.00 0.00 N ATOM 139 CA ARG A 11 -7.613 -14.507 -2.803 1.00 0.00 C ATOM 140 C ARG A 11 -8.168 -13.319 -2.060 1.00 0.00 C ATOM 141 O ARG A 11 -8.325 -12.233 -2.585 1.00 0.00 O ATOM 142 CB ARG A 11 -8.608 -15.666 -2.815 1.00 0.00 C ATOM 143 CG ARG A 11 -9.676 -15.412 -3.879 1.00 0.00 C ATOM 144 CD ARG A 11 -10.946 -14.885 -3.209 1.00 0.00 C ATOM 145 NE ARG A 11 -11.569 -16.079 -2.578 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.798 -16.403 -2.870 1.00 0.00 C ATOM 147 NH1 ARG A 11 -13.791 -15.743 -2.340 1.00 0.00 N ATOM 148 NH2 ARG A 11 -13.033 -17.387 -3.695 1.00 0.00 N ATOM 0 H ARG A 11 -6.665 -15.687 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.374 -14.203 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.089 -16.602 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.074 -15.769 -1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.312 -14.691 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.892 -16.333 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.713 -14.122 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.616 -14.428 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.035 -16.644 -1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.606 -14.973 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.752 -15.997 -2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.256 -17.901 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.994 -17.642 -3.924 1.00 0.00 H new ATOM 162 N LEU A 12 -8.411 -13.526 -0.810 1.00 0.00 N ATOM 163 CA LEU A 12 -8.898 -12.439 0.050 1.00 0.00 C ATOM 164 C LEU A 12 -7.886 -11.302 0.027 1.00 0.00 C ATOM 165 O LEU A 12 -8.230 -10.147 -0.124 1.00 0.00 O ATOM 166 CB LEU A 12 -8.962 -13.094 1.420 1.00 0.00 C ATOM 167 CG LEU A 12 -10.363 -13.657 1.661 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.324 -14.642 2.832 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.321 -12.511 1.989 1.00 0.00 C ATOM 0 H LEU A 12 -8.289 -14.423 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.855 -12.014 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.223 -13.893 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.715 -12.366 2.193 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.707 -14.174 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.323 -15.043 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.640 -15.458 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.981 -14.127 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.321 -12.910 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.977 -11.995 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.349 -11.810 1.155 1.00 0.00 H new ATOM 181 N ALA A 13 -6.632 -11.629 0.152 1.00 0.00 N ATOM 182 CA ALA A 13 -5.588 -10.574 0.110 1.00 0.00 C ATOM 183 C ALA A 13 -5.593 -9.938 -1.275 1.00 0.00 C ATOM 184 O ALA A 13 -5.252 -8.784 -1.445 1.00 0.00 O ATOM 185 CB ALA A 13 -4.269 -11.299 0.374 1.00 0.00 C ATOM 0 H ALA A 13 -6.286 -12.580 0.281 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.750 -9.781 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.449 -10.581 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.309 -11.783 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.107 -12.052 -0.397 1.00 0.00 H new ATOM 191 N ASN A 14 -6.004 -10.682 -2.262 1.00 0.00 N ATOM 192 CA ASN A 14 -6.064 -10.126 -3.635 1.00 0.00 C ATOM 193 C ASN A 14 -6.877 -8.838 -3.609 1.00 0.00 C ATOM 194 O ASN A 14 -6.484 -7.828 -4.154 1.00 0.00 O ATOM 195 CB ASN A 14 -6.782 -11.191 -4.464 1.00 0.00 C ATOM 196 CG ASN A 14 -6.490 -10.972 -5.949 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.488 -9.853 -6.422 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.243 -12.002 -6.712 1.00 0.00 N ATOM 0 H ASN A 14 -6.301 -11.654 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.081 -9.895 -4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.452 -12.185 -4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.856 -11.143 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.049 -11.867 -7.704 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.244 -12.942 -6.316 1.00 0.00 H new ATOM 205 N PHE A 15 -8.013 -8.869 -2.965 1.00 0.00 N ATOM 206 CA PHE A 15 -8.862 -7.646 -2.892 1.00 0.00 C ATOM 207 C PHE A 15 -8.482 -6.849 -1.648 1.00 0.00 C ATOM 208 O PHE A 15 -8.754 -5.669 -1.545 1.00 0.00 O ATOM 209 CB PHE A 15 -10.309 -8.144 -2.773 1.00 0.00 C ATOM 210 CG PHE A 15 -10.450 -9.492 -3.441 1.00 0.00 C ATOM 211 CD1 PHE A 15 -9.933 -9.694 -4.724 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.077 -10.542 -2.763 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.046 -10.949 -5.331 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.188 -11.797 -3.368 1.00 0.00 C ATOM 215 CZ PHE A 15 -10.673 -12.001 -4.654 1.00 0.00 C ATOM 0 H PHE A 15 -8.389 -9.688 -2.487 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.734 -7.004 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.591 -8.218 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -10.988 -7.427 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.447 -8.883 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.475 -10.383 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.649 -11.106 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.671 -12.609 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.760 -12.970 -5.123 1.00 0.00 H new ATOM 225 N LEU A 16 -7.854 -7.489 -0.697 1.00 0.00 N ATOM 226 CA LEU A 16 -7.460 -6.760 0.543 1.00 0.00 C ATOM 227 C LEU A 16 -6.328 -5.788 0.228 1.00 0.00 C ATOM 228 O LEU A 16 -6.300 -4.674 0.705 1.00 0.00 O ATOM 229 CB LEU A 16 -6.990 -7.839 1.519 1.00 0.00 C ATOM 230 CG LEU A 16 -7.396 -7.447 2.941 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.989 -5.995 3.208 1.00 0.00 C ATOM 232 CD2 LEU A 16 -8.912 -7.580 3.090 1.00 0.00 C ATOM 0 H LEU A 16 -7.599 -8.476 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.281 -6.178 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.430 -8.801 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.908 -7.956 1.457 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.897 -8.103 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.279 -5.716 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.909 -5.894 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.489 -5.340 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.204 -7.301 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.407 -6.922 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.207 -8.612 2.898 1.00 0.00 H new ATOM 244 N VAL A 17 -5.397 -6.200 -0.583 1.00 0.00 N ATOM 245 CA VAL A 17 -4.272 -5.296 -0.942 1.00 0.00 C ATOM 246 C VAL A 17 -4.689 -4.394 -2.103 1.00 0.00 C ATOM 247 O VAL A 17 -4.221 -3.282 -2.241 1.00 0.00 O ATOM 248 CB VAL A 17 -3.141 -6.231 -1.367 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.068 -5.427 -2.103 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.528 -6.889 -0.129 1.00 0.00 C ATOM 0 H VAL A 17 -5.366 -7.124 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.974 -4.646 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.536 -7.003 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.260 -6.092 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.505 -4.959 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.674 -4.656 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.721 -7.556 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.132 -6.119 0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.293 -7.461 0.396 1.00 0.00 H new ATOM 260 N HIS A 18 -5.568 -4.872 -2.941 1.00 0.00 N ATOM 261 CA HIS A 18 -6.022 -4.058 -4.105 1.00 0.00 C ATOM 262 C HIS A 18 -7.178 -3.137 -3.710 1.00 0.00 C ATOM 263 O HIS A 18 -7.192 -1.966 -4.037 1.00 0.00 O ATOM 264 CB HIS A 18 -6.503 -5.084 -5.129 1.00 0.00 C ATOM 265 CG HIS A 18 -5.324 -5.643 -5.877 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.420 -6.066 -7.208 1.00 0.00 N ATOM 267 CD2 HIS A 18 -4.016 -5.861 -5.504 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.201 -6.510 -7.583 1.00 0.00 C ATOM 269 NE2 HIS A 18 -3.343 -6.400 -6.582 1.00 0.00 N ATOM 0 H HIS A 18 -5.994 -5.796 -2.869 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.226 -3.419 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.042 -5.888 -4.628 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.200 -4.618 -5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.590 -5.647 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.961 -6.900 -8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.359 -6.666 -6.603 1.00 0.00 H new ATOM 277 N SER A 19 -8.163 -3.663 -3.033 1.00 0.00 N ATOM 278 CA SER A 19 -9.334 -2.819 -2.648 1.00 0.00 C ATOM 279 C SER A 19 -9.018 -1.928 -1.439 1.00 0.00 C ATOM 280 O SER A 19 -9.656 -0.918 -1.223 1.00 0.00 O ATOM 281 CB SER A 19 -10.439 -3.814 -2.302 1.00 0.00 C ATOM 282 OG SER A 19 -11.696 -3.266 -2.675 1.00 0.00 O ATOM 0 H SER A 19 -8.209 -4.636 -2.730 1.00 0.00 H new ATOM 0 HA SER A 19 -9.617 -2.142 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.271 -4.757 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.427 -4.032 -1.234 1.00 0.00 H new ATOM 0 HG SER A 19 -11.655 -2.288 -2.622 1.00 0.00 H new ATOM 288 N SER A 20 -8.057 -2.288 -0.639 1.00 0.00 N ATOM 289 CA SER A 20 -7.745 -1.441 0.548 1.00 0.00 C ATOM 290 C SER A 20 -6.680 -0.393 0.222 1.00 0.00 C ATOM 291 O SER A 20 -6.754 0.734 0.667 1.00 0.00 O ATOM 292 CB SER A 20 -7.231 -2.402 1.616 1.00 0.00 C ATOM 293 OG SER A 20 -5.824 -2.542 1.479 1.00 0.00 O ATOM 0 H SER A 20 -7.479 -3.121 -0.751 1.00 0.00 H new ATOM 0 HA SER A 20 -8.627 -0.892 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.476 -2.026 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.717 -3.372 1.514 1.00 0.00 H new ATOM 0 HG SER A 20 -5.602 -3.485 1.334 1.00 0.00 H new ATOM 299 N ASN A 21 -5.680 -0.754 -0.527 1.00 0.00 N ATOM 300 CA ASN A 21 -4.604 0.231 -0.843 1.00 0.00 C ATOM 301 C ASN A 21 -4.906 1.005 -2.129 1.00 0.00 C ATOM 302 O ASN A 21 -4.696 2.195 -2.208 1.00 0.00 O ATOM 303 CB ASN A 21 -3.336 -0.608 -1.010 1.00 0.00 C ATOM 304 CG ASN A 21 -2.192 0.281 -1.498 1.00 0.00 C ATOM 305 OD1 ASN A 21 -1.519 0.913 -0.707 1.00 0.00 O ATOM 306 ND2 ASN A 21 -1.940 0.357 -2.775 1.00 0.00 N ATOM 0 H ASN A 21 -5.558 -1.681 -0.934 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.509 0.980 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.069 -1.074 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.513 -1.414 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.178 0.947 -3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.505 -0.173 -3.439 1.00 0.00 H new ATOM 313 N ASN A 22 -5.375 0.345 -3.141 1.00 0.00 N ATOM 314 CA ASN A 22 -5.652 1.062 -4.419 1.00 0.00 C ATOM 315 C ASN A 22 -7.044 1.699 -4.415 1.00 0.00 C ATOM 316 O ASN A 22 -7.223 2.834 -4.813 1.00 0.00 O ATOM 317 CB ASN A 22 -5.559 -0.011 -5.503 1.00 0.00 C ATOM 318 CG ASN A 22 -4.704 0.506 -6.661 1.00 0.00 C ATOM 319 OD1 ASN A 22 -5.094 0.414 -7.808 1.00 0.00 O ATOM 320 ND2 ASN A 22 -3.545 1.054 -6.409 1.00 0.00 N ATOM 0 H ASN A 22 -5.580 -0.654 -3.145 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.947 1.878 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.122 -0.921 -5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.556 -0.269 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.969 1.404 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.216 1.132 -5.447 1.00 0.00 H new ATOM 327 N PHE A 23 -8.030 0.977 -3.986 1.00 0.00 N ATOM 328 CA PHE A 23 -9.411 1.541 -3.985 1.00 0.00 C ATOM 329 C PHE A 23 -9.618 2.506 -2.814 1.00 0.00 C ATOM 330 O PHE A 23 -10.261 3.521 -2.959 1.00 0.00 O ATOM 331 CB PHE A 23 -10.334 0.321 -3.866 1.00 0.00 C ATOM 332 CG PHE A 23 -11.690 0.734 -3.339 1.00 0.00 C ATOM 333 CD1 PHE A 23 -12.408 1.757 -3.970 1.00 0.00 C ATOM 334 CD2 PHE A 23 -12.233 0.089 -2.219 1.00 0.00 C ATOM 335 CE1 PHE A 23 -13.665 2.136 -3.485 1.00 0.00 C ATOM 336 CE2 PHE A 23 -13.490 0.468 -1.732 1.00 0.00 C ATOM 337 CZ PHE A 23 -14.207 1.491 -2.366 1.00 0.00 C ATOM 0 H PHE A 23 -7.947 0.023 -3.636 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.613 2.122 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.445 -0.155 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.887 -0.417 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.991 2.255 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.681 -0.701 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -14.217 2.926 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.907 -0.028 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.177 1.782 -1.992 1.00 0.00 H new ATOM 347 N GLY A 24 -9.106 2.196 -1.656 1.00 0.00 N ATOM 348 CA GLY A 24 -9.319 3.101 -0.490 1.00 0.00 C ATOM 349 C GLY A 24 -8.200 4.142 -0.371 1.00 0.00 C ATOM 350 O GLY A 24 -8.448 5.290 -0.052 1.00 0.00 O ATOM 0 H GLY A 24 -8.552 1.361 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.279 3.608 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.366 2.511 0.425 1.00 0.00 H new ATOM 354 N ALA A 25 -6.971 3.764 -0.589 1.00 0.00 N ATOM 355 CA ALA A 25 -5.868 4.757 -0.438 1.00 0.00 C ATOM 356 C ALA A 25 -5.816 5.728 -1.620 1.00 0.00 C ATOM 357 O ALA A 25 -5.328 6.832 -1.491 1.00 0.00 O ATOM 358 CB ALA A 25 -4.587 3.927 -0.359 1.00 0.00 C ATOM 0 H ALA A 25 -6.684 2.824 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.011 5.376 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.730 4.591 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.641 3.256 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.476 3.342 -1.272 1.00 0.00 H new ATOM 364 N ILE A 26 -6.313 5.351 -2.765 1.00 0.00 N ATOM 365 CA ILE A 26 -6.277 6.294 -3.915 1.00 0.00 C ATOM 366 C ILE A 26 -7.569 7.078 -3.936 1.00 0.00 C ATOM 367 O ILE A 26 -7.572 8.284 -4.075 1.00 0.00 O ATOM 368 CB ILE A 26 -6.089 5.403 -5.134 1.00 0.00 C ATOM 369 CG1 ILE A 26 -4.976 4.390 -4.822 1.00 0.00 C ATOM 370 CG2 ILE A 26 -5.695 6.260 -6.339 1.00 0.00 C ATOM 371 CD1 ILE A 26 -3.872 5.060 -3.987 1.00 0.00 C ATOM 0 H ILE A 26 -6.737 4.443 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.479 7.035 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.015 4.878 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.389 3.540 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.556 4.002 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.561 5.621 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.481 6.988 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.763 6.782 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.088 4.334 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.449 5.895 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.295 5.426 -3.052 1.00 0.00 H new ATOM 383 N LEU A 27 -8.667 6.423 -3.711 1.00 0.00 N ATOM 384 CA LEU A 27 -9.938 7.170 -3.621 1.00 0.00 C ATOM 385 C LEU A 27 -9.700 8.314 -2.636 1.00 0.00 C ATOM 386 O LEU A 27 -10.307 9.365 -2.696 1.00 0.00 O ATOM 387 CB LEU A 27 -10.899 6.145 -3.043 1.00 0.00 C ATOM 388 CG LEU A 27 -11.592 5.381 -4.177 1.00 0.00 C ATOM 389 CD1 LEU A 27 -12.674 6.266 -4.796 1.00 0.00 C ATOM 390 CD2 LEU A 27 -10.568 5.000 -5.254 1.00 0.00 C ATOM 0 H LEU A 27 -8.737 5.413 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.310 7.589 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.359 5.449 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.643 6.642 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.043 4.474 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.169 5.725 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.407 6.531 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.219 7.173 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.068 4.457 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.111 5.904 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.796 4.368 -4.815 1.00 0.00 H new ATOM 402 N SER A 28 -8.779 8.084 -1.734 1.00 0.00 N ATOM 403 CA SER A 28 -8.412 9.097 -0.713 1.00 0.00 C ATOM 404 C SER A 28 -7.503 10.170 -1.320 1.00 0.00 C ATOM 405 O SER A 28 -7.394 11.268 -0.810 1.00 0.00 O ATOM 406 CB SER A 28 -7.627 8.290 0.319 1.00 0.00 C ATOM 407 OG SER A 28 -8.516 7.427 1.014 1.00 0.00 O ATOM 0 H SER A 28 -8.256 7.211 -1.666 1.00 0.00 H new ATOM 0 HA SER A 28 -9.280 9.612 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.848 7.708 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.130 8.960 1.020 1.00 0.00 H new ATOM 0 HG SER A 28 -8.806 6.706 0.417 1.00 0.00 H new ATOM 413 N SER A 29 -6.834 9.851 -2.394 1.00 0.00 N ATOM 414 CA SER A 29 -5.910 10.828 -3.027 1.00 0.00 C ATOM 415 C SER A 29 -5.501 10.327 -4.410 1.00 0.00 C ATOM 416 O SER A 29 -4.354 10.008 -4.653 1.00 0.00 O ATOM 417 CB SER A 29 -4.695 10.861 -2.106 1.00 0.00 C ATOM 418 OG SER A 29 -5.073 11.389 -0.841 1.00 0.00 O ATOM 0 H SER A 29 -6.890 8.947 -2.862 1.00 0.00 H new ATOM 0 HA SER A 29 -6.362 11.812 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.289 9.857 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.908 11.473 -2.547 1.00 0.00 H new ATOM 0 HG SER A 29 -5.890 11.921 -0.940 1.00 0.00 H new ATOM 424 N THR A 30 -6.426 10.265 -5.319 1.00 0.00 N ATOM 425 CA THR A 30 -6.083 9.796 -6.691 1.00 0.00 C ATOM 426 C THR A 30 -5.022 10.728 -7.255 1.00 0.00 C ATOM 427 O THR A 30 -4.174 10.350 -8.039 1.00 0.00 O ATOM 428 CB THR A 30 -7.392 9.899 -7.472 1.00 0.00 C ATOM 429 OG1 THR A 30 -7.312 9.102 -8.645 1.00 0.00 O ATOM 430 CG2 THR A 30 -7.663 11.353 -7.856 1.00 0.00 C ATOM 0 H THR A 30 -7.404 10.517 -5.176 1.00 0.00 H new ATOM 0 HA THR A 30 -5.686 8.782 -6.730 1.00 0.00 H new ATOM 0 HB THR A 30 -8.208 9.541 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.153 9.168 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.598 11.414 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.737 11.960 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.847 11.724 -8.477 1.00 0.00 H new ATOM 438 N ASN A 31 -5.072 11.947 -6.822 1.00 0.00 N ATOM 439 CA ASN A 31 -4.079 12.961 -7.269 1.00 0.00 C ATOM 440 C ASN A 31 -4.125 14.181 -6.334 1.00 0.00 C ATOM 441 O ASN A 31 -3.126 14.831 -6.110 1.00 0.00 O ATOM 442 CB ASN A 31 -4.473 13.318 -8.712 1.00 0.00 C ATOM 443 CG ASN A 31 -5.489 14.462 -8.735 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.244 15.495 -9.326 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.628 14.323 -8.115 1.00 0.00 N ATOM 0 H ASN A 31 -5.770 12.295 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.054 12.591 -7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.585 13.604 -9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.895 12.442 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.311 15.081 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.836 13.457 -7.618 1.00 0.00 H new ATOM 452 N VAL A 32 -5.272 14.472 -5.763 1.00 0.00 N ATOM 453 CA VAL A 32 -5.382 15.630 -4.814 1.00 0.00 C ATOM 454 C VAL A 32 -6.828 15.766 -4.324 1.00 0.00 C ATOM 455 O VAL A 32 -7.342 16.857 -4.175 1.00 0.00 O ATOM 456 CB VAL A 32 -4.964 16.903 -5.574 1.00 0.00 C ATOM 457 CG1 VAL A 32 -3.487 17.208 -5.309 1.00 0.00 C ATOM 458 CG2 VAL A 32 -5.190 16.739 -7.080 1.00 0.00 C ATOM 0 H VAL A 32 -6.139 13.956 -5.913 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.739 15.475 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.578 17.730 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.199 18.109 -5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.333 17.361 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.876 16.371 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.887 17.651 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.598 15.901 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.246 16.548 -7.271 1.00 0.00 H new ATOM 468 N GLY A 33 -7.486 14.666 -4.073 1.00 0.00 N ATOM 469 CA GLY A 33 -8.896 14.733 -3.592 1.00 0.00 C ATOM 470 C GLY A 33 -9.850 14.421 -4.745 1.00 0.00 C ATOM 471 O GLY A 33 -10.791 13.667 -4.597 1.00 0.00 O ATOM 0 H GLY A 33 -7.108 13.725 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.047 14.022 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.107 15.724 -3.191 1.00 0.00 H new ATOM 475 N SER A 34 -9.618 14.992 -5.895 1.00 0.00 N ATOM 476 CA SER A 34 -10.514 14.723 -7.055 1.00 0.00 C ATOM 477 C SER A 34 -11.962 15.065 -6.695 1.00 0.00 C ATOM 478 O SER A 34 -12.875 14.315 -6.979 1.00 0.00 O ATOM 479 CB SER A 34 -10.366 13.227 -7.330 1.00 0.00 C ATOM 480 OG SER A 34 -11.470 12.777 -8.104 1.00 0.00 O ATOM 0 H SER A 34 -8.847 15.633 -6.082 1.00 0.00 H new ATOM 0 HA SER A 34 -10.255 15.324 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.433 13.034 -7.860 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.318 12.676 -6.390 1.00 0.00 H new ATOM 0 HG SER A 34 -12.298 12.901 -7.595 1.00 0.00 H new ATOM 486 N ASN A 35 -12.178 16.191 -6.072 1.00 0.00 N ATOM 487 CA ASN A 35 -13.568 16.579 -5.697 1.00 0.00 C ATOM 488 C ASN A 35 -14.255 17.274 -6.875 1.00 0.00 C ATOM 489 O ASN A 35 -13.662 18.082 -7.563 1.00 0.00 O ATOM 490 CB ASN A 35 -13.407 17.546 -4.524 1.00 0.00 C ATOM 491 CG ASN A 35 -14.677 17.535 -3.673 1.00 0.00 C ATOM 492 OD1 ASN A 35 -15.538 16.698 -3.855 1.00 0.00 O ATOM 493 ND2 ASN A 35 -14.832 18.438 -2.743 1.00 0.00 N ATOM 0 H ASN A 35 -11.454 16.858 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.181 15.718 -5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.548 17.258 -3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.213 18.553 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.676 18.440 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.109 19.141 -2.590 1.00 0.00 H new ATOM 500 N THR A 36 -15.499 16.964 -7.118 1.00 0.00 N ATOM 501 CA THR A 36 -16.218 17.606 -8.258 1.00 0.00 C ATOM 502 C THR A 36 -15.324 17.624 -9.499 1.00 0.00 C ATOM 503 O THR A 36 -14.540 18.532 -9.699 1.00 0.00 O ATOM 504 CB THR A 36 -16.518 19.032 -7.792 1.00 0.00 C ATOM 505 OG1 THR A 36 -15.299 19.746 -7.641 1.00 0.00 O ATOM 506 CG2 THR A 36 -17.257 18.990 -6.455 1.00 0.00 C ATOM 0 H THR A 36 -16.049 16.295 -6.578 1.00 0.00 H new ATOM 0 HA THR A 36 -17.128 17.069 -8.527 1.00 0.00 H new ATOM 0 HB THR A 36 -17.142 19.532 -8.532 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.586 19.282 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.470 20.007 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 36 -18.193 18.444 -6.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.636 18.490 -5.712 1.00 0.00 H new ATOM 514 N TYR A 37 -15.432 16.627 -10.334 1.00 0.00 N ATOM 515 CA TYR A 37 -14.584 16.587 -11.559 1.00 0.00 C ATOM 516 C TYR A 37 -14.539 17.970 -12.220 1.00 0.00 C ATOM 517 O TYR A 37 -15.519 18.688 -12.111 1.00 0.00 O ATOM 518 CB TYR A 37 -15.258 15.553 -12.473 1.00 0.00 C ATOM 519 CG TYR A 37 -16.387 16.192 -13.251 1.00 0.00 C ATOM 520 CD1 TYR A 37 -17.439 16.827 -12.575 1.00 0.00 C ATOM 521 CD2 TYR A 37 -16.380 16.150 -14.650 1.00 0.00 C ATOM 522 CE1 TYR A 37 -18.481 17.418 -13.301 1.00 0.00 C ATOM 523 CE2 TYR A 37 -17.421 16.741 -15.375 1.00 0.00 C ATOM 524 CZ TYR A 37 -18.470 17.374 -14.700 1.00 0.00 C ATOM 525 OH TYR A 37 -19.496 17.956 -15.416 1.00 0.00 O ATOM 526 OXT TYR A 37 -13.526 18.284 -12.824 1.00 0.00 O ATOM 0 H TYR A 37 -16.070 15.839 -10.221 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.550 16.317 -11.343 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.524 15.135 -13.162 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -15.642 14.726 -11.876 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.446 16.860 -11.496 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.570 15.661 -15.171 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.292 17.907 -12.782 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.414 16.708 -16.454 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.334 17.837 -16.375 1.00 0.00 H new TER 536 TYR A 37