USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 276 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 LYS N :NH3+ -166:sc= 0 (180deg=-0.298) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.027) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.448 X(o=0.45,f=-9.3e-05) USER MOD Single : A 19 SER OG : rot 91:sc= 0.678 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 30 THR OG1 : rot 60:sc= -0.393! USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 34 SER OG : rot -81:sc= 0.284 USER MOD Single : A 35 ASN :FLIP amide:sc=-0.000889 F(o=-0.59,f=-0.00089) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.279 -25.688 -6.135 1.00 0.00 N ATOM 2 CA LYS A 1 0.295 -24.550 -6.912 1.00 0.00 C ATOM 3 C LYS A 1 -0.480 -23.262 -6.618 1.00 0.00 C ATOM 4 O LYS A 1 0.096 -22.224 -6.361 1.00 0.00 O ATOM 5 CB LYS A 1 0.135 -24.948 -8.380 1.00 0.00 C ATOM 6 CG LYS A 1 1.059 -26.126 -8.694 1.00 0.00 C ATOM 7 CD LYS A 1 1.173 -26.295 -10.211 1.00 0.00 C ATOM 8 CE LYS A 1 2.365 -25.484 -10.727 1.00 0.00 C ATOM 9 NZ LYS A 1 1.929 -24.960 -12.050 1.00 0.00 N ATOM 0 H1 LYS A 1 0.383 -26.489 -6.153 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.438 -25.391 -5.151 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.183 -25.977 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 1 1.337 -24.360 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.901 -25.221 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.374 -24.103 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.045 -25.954 -8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.668 -27.039 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.300 -27.348 -10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.255 -25.961 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.616 -24.672 -10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.255 -26.107 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.694 -24.393 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.703 -25.755 -12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.085 -24.366 -11.927 1.00 0.00 H new ATOM 25 N CYS A 2 -1.783 -23.321 -6.655 1.00 0.00 N ATOM 26 CA CYS A 2 -2.594 -22.100 -6.380 1.00 0.00 C ATOM 27 C CYS A 2 -3.077 -22.097 -4.927 1.00 0.00 C ATOM 28 O CYS A 2 -3.848 -21.251 -4.522 1.00 0.00 O ATOM 29 CB CYS A 2 -3.782 -22.189 -7.337 1.00 0.00 C ATOM 30 SG CYS A 2 -4.844 -20.739 -7.115 1.00 0.00 S ATOM 0 H CYS A 2 -2.322 -24.162 -6.864 1.00 0.00 H new ATOM 0 HA CYS A 2 -2.020 -21.185 -6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.430 -22.241 -8.367 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.348 -23.101 -7.147 1.00 0.00 H new ATOM 35 N ASN A 3 -2.630 -23.037 -4.139 1.00 0.00 N ATOM 36 CA ASN A 3 -3.066 -23.085 -2.714 1.00 0.00 C ATOM 37 C ASN A 3 -2.341 -22.010 -1.901 1.00 0.00 C ATOM 38 O ASN A 3 -2.618 -21.809 -0.734 1.00 0.00 O ATOM 39 CB ASN A 3 -2.678 -24.482 -2.227 1.00 0.00 C ATOM 40 CG ASN A 3 -3.938 -25.245 -1.814 1.00 0.00 C ATOM 41 OD1 ASN A 3 -3.968 -25.873 -0.774 1.00 0.00 O ATOM 42 ND2 ASN A 3 -4.986 -25.218 -2.591 1.00 0.00 N ATOM 0 H ASN A 3 -1.982 -23.773 -4.420 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.134 -22.898 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.155 -25.022 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.992 -24.407 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -5.831 -25.724 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.960 -24.691 -3.464 1.00 0.00 H new ATOM 49 N THR A 4 -1.415 -21.316 -2.505 1.00 0.00 N ATOM 50 CA THR A 4 -0.675 -20.253 -1.765 1.00 0.00 C ATOM 51 C THR A 4 -1.646 -19.176 -1.274 1.00 0.00 C ATOM 52 O THR A 4 -2.845 -19.293 -1.432 1.00 0.00 O ATOM 53 CB THR A 4 0.304 -19.667 -2.785 1.00 0.00 C ATOM 54 OG1 THR A 4 -0.290 -19.691 -4.076 1.00 0.00 O ATOM 55 CG2 THR A 4 1.590 -20.496 -2.797 1.00 0.00 C ATOM 0 H THR A 4 -1.139 -21.439 -3.479 1.00 0.00 H new ATOM 0 HA THR A 4 -0.163 -20.643 -0.886 1.00 0.00 H new ATOM 0 HB THR A 4 0.541 -18.639 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.335 -19.315 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.286 -20.077 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.045 -20.477 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.357 -21.525 -3.069 1.00 0.00 H new ATOM 63 N ALA A 5 -1.142 -18.130 -0.679 1.00 0.00 N ATOM 64 CA ALA A 5 -2.043 -17.050 -0.181 1.00 0.00 C ATOM 65 C ALA A 5 -2.453 -16.129 -1.318 1.00 0.00 C ATOM 66 O ALA A 5 -3.600 -15.781 -1.460 1.00 0.00 O ATOM 67 CB ALA A 5 -1.217 -16.252 0.820 1.00 0.00 C ATOM 0 H ALA A 5 -0.147 -17.976 -0.516 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.948 -17.469 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.821 -15.440 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.897 -16.906 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.341 -15.838 0.321 1.00 0.00 H new ATOM 73 N THR A 6 -1.512 -15.712 -2.110 1.00 0.00 N ATOM 74 CA THR A 6 -1.834 -14.779 -3.222 1.00 0.00 C ATOM 75 C THR A 6 -2.994 -15.319 -4.055 1.00 0.00 C ATOM 76 O THR A 6 -3.908 -14.593 -4.384 1.00 0.00 O ATOM 77 CB THR A 6 -0.545 -14.704 -4.034 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.301 -15.966 -4.641 1.00 0.00 O ATOM 79 CG2 THR A 6 0.612 -14.353 -3.095 1.00 0.00 C ATOM 0 H THR A 6 -0.530 -15.977 -2.036 1.00 0.00 H new ATOM 0 HA THR A 6 -2.152 -13.796 -2.874 1.00 0.00 H new ATOM 0 HB THR A 6 -0.634 -13.942 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.526 -15.922 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.539 -14.297 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.418 -13.390 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.704 -15.122 -2.328 1.00 0.00 H new ATOM 87 N CYS A 7 -3.000 -16.580 -4.377 1.00 0.00 N ATOM 88 CA CYS A 7 -4.154 -17.108 -5.154 1.00 0.00 C ATOM 89 C CYS A 7 -5.435 -16.659 -4.448 1.00 0.00 C ATOM 90 O CYS A 7 -6.342 -16.119 -5.049 1.00 0.00 O ATOM 91 CB CYS A 7 -4.010 -18.628 -5.115 1.00 0.00 C ATOM 92 SG CYS A 7 -3.550 -19.229 -6.759 1.00 0.00 S ATOM 0 H CYS A 7 -2.273 -17.256 -4.143 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.187 -16.754 -6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.252 -18.914 -4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.947 -19.085 -4.797 1.00 0.00 H new ATOM 97 N ALA A 8 -5.485 -16.856 -3.158 1.00 0.00 N ATOM 98 CA ALA A 8 -6.670 -16.423 -2.364 1.00 0.00 C ATOM 99 C ALA A 8 -6.630 -14.917 -2.164 1.00 0.00 C ATOM 100 O ALA A 8 -7.556 -14.195 -2.458 1.00 0.00 O ATOM 101 CB ALA A 8 -6.454 -17.077 -1.007 1.00 0.00 C ATOM 0 H ALA A 8 -4.747 -17.304 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.612 -16.688 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.279 -16.818 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.411 -18.159 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.517 -16.722 -0.577 1.00 0.00 H new ATOM 107 N THR A 9 -5.530 -14.475 -1.648 1.00 0.00 N ATOM 108 CA THR A 9 -5.299 -13.042 -1.365 1.00 0.00 C ATOM 109 C THR A 9 -5.472 -12.207 -2.638 1.00 0.00 C ATOM 110 O THR A 9 -5.621 -11.003 -2.601 1.00 0.00 O ATOM 111 CB THR A 9 -3.863 -13.032 -0.855 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.854 -13.461 0.503 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.245 -11.631 -0.945 1.00 0.00 C ATOM 0 H THR A 9 -4.745 -15.077 -1.399 1.00 0.00 H new ATOM 0 HA THR A 9 -5.999 -12.608 -0.651 1.00 0.00 H new ATOM 0 HB THR A 9 -3.271 -13.704 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.934 -13.460 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.221 -11.661 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.245 -11.300 -1.983 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.830 -10.936 -0.343 1.00 0.00 H new ATOM 121 N GLN A 10 -5.439 -12.827 -3.771 1.00 0.00 N ATOM 122 CA GLN A 10 -5.591 -12.040 -5.016 1.00 0.00 C ATOM 123 C GLN A 10 -6.832 -11.158 -4.889 1.00 0.00 C ATOM 124 O GLN A 10 -6.882 -10.060 -5.407 1.00 0.00 O ATOM 125 CB GLN A 10 -5.765 -13.068 -6.135 1.00 0.00 C ATOM 126 CG GLN A 10 -5.224 -12.487 -7.443 1.00 0.00 C ATOM 127 CD GLN A 10 -4.096 -13.375 -7.970 1.00 0.00 C ATOM 128 OE1 GLN A 10 -4.248 -14.036 -8.978 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.961 -13.417 -7.327 1.00 0.00 N ATOM 0 H GLN A 10 -5.315 -13.832 -3.893 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.738 -11.391 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.235 -13.987 -5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.818 -13.327 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.023 -12.420 -8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.857 -11.474 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.833 -12.862 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.202 -14.005 -7.671 1.00 0.00 H new ATOM 138 N ARG A 11 -7.828 -11.626 -4.187 1.00 0.00 N ATOM 139 CA ARG A 11 -9.060 -10.805 -4.013 1.00 0.00 C ATOM 140 C ARG A 11 -8.877 -9.797 -2.867 1.00 0.00 C ATOM 141 O ARG A 11 -9.207 -8.640 -3.005 1.00 0.00 O ATOM 142 CB ARG A 11 -10.187 -11.797 -3.698 1.00 0.00 C ATOM 143 CG ARG A 11 -9.856 -12.617 -2.451 1.00 0.00 C ATOM 144 CD ARG A 11 -10.584 -12.023 -1.244 1.00 0.00 C ATOM 145 NE ARG A 11 -11.448 -13.125 -0.738 1.00 0.00 N ATOM 146 CZ ARG A 11 -10.914 -14.160 -0.147 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.620 -14.231 0.011 1.00 0.00 N ATOM 148 NH2 ARG A 11 -11.676 -15.126 0.289 1.00 0.00 N ATOM 0 H ARG A 11 -7.842 -12.537 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.286 -10.224 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.121 -11.257 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.339 -12.463 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.155 -13.655 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.780 -12.616 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.879 -11.691 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.178 -11.154 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.460 -13.071 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.023 -13.477 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.206 -15.041 0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.687 -15.072 0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.260 -15.935 0.751 1.00 0.00 H new ATOM 162 N LEU A 12 -8.358 -10.216 -1.740 1.00 0.00 N ATOM 163 CA LEU A 12 -8.166 -9.255 -0.613 1.00 0.00 C ATOM 164 C LEU A 12 -6.994 -8.366 -0.877 1.00 0.00 C ATOM 165 O LEU A 12 -6.915 -7.275 -0.352 1.00 0.00 O ATOM 166 CB LEU A 12 -8.023 -10.111 0.665 1.00 0.00 C ATOM 167 CG LEU A 12 -6.574 -10.202 1.187 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.653 -10.654 0.086 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.073 -8.869 1.689 1.00 0.00 C ATOM 0 H LEU A 12 -8.061 -11.174 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.010 -8.575 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.656 -9.691 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.391 -11.117 0.462 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.579 -10.917 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.633 -10.714 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.966 -11.635 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.692 -9.940 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.049 -8.977 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.099 -8.142 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.709 -8.525 2.505 1.00 0.00 H new ATOM 181 N ALA A 13 -6.096 -8.775 -1.702 1.00 0.00 N ATOM 182 CA ALA A 13 -4.961 -7.888 -1.996 1.00 0.00 C ATOM 183 C ALA A 13 -5.511 -6.497 -2.167 1.00 0.00 C ATOM 184 O ALA A 13 -4.986 -5.524 -1.678 1.00 0.00 O ATOM 185 CB ALA A 13 -4.433 -8.398 -3.315 1.00 0.00 C ATOM 0 H ALA A 13 -6.096 -9.675 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.190 -7.871 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.578 -7.796 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.125 -9.438 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.215 -8.329 -4.071 1.00 0.00 H new ATOM 191 N ASN A 14 -6.628 -6.462 -2.813 1.00 0.00 N ATOM 192 CA ASN A 14 -7.366 -5.212 -3.046 1.00 0.00 C ATOM 193 C ASN A 14 -7.709 -4.556 -1.714 1.00 0.00 C ATOM 194 O ASN A 14 -7.485 -3.385 -1.490 1.00 0.00 O ATOM 195 CB ASN A 14 -8.642 -5.717 -3.697 1.00 0.00 C ATOM 196 CG ASN A 14 -8.392 -6.053 -5.164 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.022 -5.200 -5.945 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.582 -7.279 -5.569 1.00 0.00 N ATOM 0 H ASN A 14 -7.078 -7.289 -3.206 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.816 -4.478 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.001 -6.601 -3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.422 -4.960 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.420 -7.524 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.893 -7.992 -4.909 1.00 0.00 H new ATOM 205 N PHE A 15 -8.253 -5.338 -0.835 1.00 0.00 N ATOM 206 CA PHE A 15 -8.646 -4.849 0.509 1.00 0.00 C ATOM 207 C PHE A 15 -7.453 -4.156 1.153 1.00 0.00 C ATOM 208 O PHE A 15 -7.579 -3.194 1.885 1.00 0.00 O ATOM 209 CB PHE A 15 -9.049 -6.162 1.216 1.00 0.00 C ATOM 210 CG PHE A 15 -8.495 -6.319 2.613 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.380 -5.245 3.489 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.140 -7.597 3.033 1.00 0.00 C ATOM 213 CE1 PHE A 15 -7.903 -5.459 4.786 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.658 -7.820 4.314 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.538 -6.747 5.202 1.00 0.00 C ATOM 0 H PHE A 15 -8.448 -6.326 -0.996 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.448 -4.111 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.137 -6.215 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.714 -7.004 0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.657 -4.251 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.241 -8.428 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.815 -4.628 5.470 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.377 -8.816 4.624 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.166 -6.909 6.203 1.00 0.00 H new ATOM 225 N LEU A 16 -6.298 -4.652 0.882 1.00 0.00 N ATOM 226 CA LEU A 16 -5.070 -4.075 1.471 1.00 0.00 C ATOM 227 C LEU A 16 -4.445 -3.008 0.575 1.00 0.00 C ATOM 228 O LEU A 16 -4.115 -1.928 1.023 1.00 0.00 O ATOM 229 CB LEU A 16 -4.186 -5.297 1.558 1.00 0.00 C ATOM 230 CG LEU A 16 -4.804 -6.263 2.550 1.00 0.00 C ATOM 231 CD1 LEU A 16 -3.855 -7.434 2.796 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.088 -5.539 3.866 1.00 0.00 C ATOM 0 H LEU A 16 -6.143 -5.449 0.265 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.238 -3.564 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.091 -5.767 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.182 -5.017 1.876 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.740 -6.645 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.306 -8.124 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.668 -7.954 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.913 -7.061 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.532 -6.236 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.156 -5.149 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.779 -4.715 3.686 1.00 0.00 H new ATOM 244 N VAL A 17 -4.273 -3.291 -0.680 1.00 0.00 N ATOM 245 CA VAL A 17 -3.663 -2.278 -1.578 1.00 0.00 C ATOM 246 C VAL A 17 -4.648 -1.129 -1.757 1.00 0.00 C ATOM 247 O VAL A 17 -4.274 0.026 -1.808 1.00 0.00 O ATOM 248 CB VAL A 17 -3.382 -3.023 -2.880 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.274 -4.046 -2.618 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.640 -3.761 -3.346 1.00 0.00 C ATOM 0 H VAL A 17 -4.526 -4.174 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.743 -1.839 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.080 -2.314 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.057 -4.591 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.375 -3.530 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.600 -4.747 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.429 -4.289 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.945 -4.477 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.443 -3.043 -3.511 1.00 0.00 H new ATOM 260 N ARG A 18 -5.910 -1.438 -1.799 1.00 0.00 N ATOM 261 CA ARG A 18 -6.932 -0.373 -1.911 1.00 0.00 C ATOM 262 C ARG A 18 -7.112 0.249 -0.527 1.00 0.00 C ATOM 263 O ARG A 18 -7.580 1.362 -0.380 1.00 0.00 O ATOM 264 CB ARG A 18 -8.197 -1.101 -2.354 1.00 0.00 C ATOM 265 CG ARG A 18 -9.215 -0.093 -2.890 1.00 0.00 C ATOM 266 CD ARG A 18 -10.138 -0.786 -3.894 1.00 0.00 C ATOM 267 NE ARG A 18 -11.204 -1.414 -3.064 1.00 0.00 N ATOM 268 CZ ARG A 18 -12.066 -2.229 -3.610 1.00 0.00 C ATOM 269 NH1 ARG A 18 -11.994 -2.503 -4.885 1.00 0.00 N ATOM 270 NH2 ARG A 18 -13.002 -2.771 -2.880 1.00 0.00 N ATOM 0 H ARG A 18 -6.277 -2.389 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.673 0.424 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.955 -1.832 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.623 -1.651 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.799 0.322 -2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.700 0.741 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.558 -0.072 -4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.599 -1.533 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.261 -1.207 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.263 -2.080 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.669 -3.140 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.060 -2.558 -1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.676 -3.408 -3.305 1.00 0.00 H new ATOM 284 N SER A 19 -6.724 -0.475 0.493 1.00 0.00 N ATOM 285 CA SER A 19 -6.844 0.042 1.883 1.00 0.00 C ATOM 286 C SER A 19 -6.149 1.400 1.994 1.00 0.00 C ATOM 287 O SER A 19 -6.619 2.299 2.663 1.00 0.00 O ATOM 288 CB SER A 19 -6.131 -0.994 2.751 1.00 0.00 C ATOM 289 OG SER A 19 -6.994 -1.394 3.807 1.00 0.00 O ATOM 0 H SER A 19 -6.326 -1.411 0.417 1.00 0.00 H new ATOM 0 HA SER A 19 -7.881 0.184 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.849 -1.858 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.211 -0.574 3.157 1.00 0.00 H new ATOM 0 HG SER A 19 -7.519 -2.171 3.524 1.00 0.00 H new ATOM 295 N SER A 20 -5.030 1.552 1.338 1.00 0.00 N ATOM 296 CA SER A 20 -4.297 2.849 1.400 1.00 0.00 C ATOM 297 C SER A 20 -5.281 4.013 1.266 1.00 0.00 C ATOM 298 O SER A 20 -5.037 5.104 1.741 1.00 0.00 O ATOM 299 CB SER A 20 -3.333 2.820 0.214 1.00 0.00 C ATOM 300 OG SER A 20 -2.087 3.376 0.608 1.00 0.00 O ATOM 0 H SER A 20 -4.592 0.834 0.762 1.00 0.00 H new ATOM 0 HA SER A 20 -3.771 2.983 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.194 1.796 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.748 3.384 -0.621 1.00 0.00 H new ATOM 0 HG SER A 20 -1.466 3.357 -0.150 1.00 0.00 H new ATOM 306 N ASN A 21 -6.394 3.787 0.621 1.00 0.00 N ATOM 307 CA ASN A 21 -7.395 4.879 0.457 1.00 0.00 C ATOM 308 C ASN A 21 -7.769 5.457 1.824 1.00 0.00 C ATOM 309 O ASN A 21 -7.594 6.633 2.081 1.00 0.00 O ATOM 310 CB ASN A 21 -8.605 4.209 -0.195 1.00 0.00 C ATOM 311 CG ASN A 21 -9.313 5.211 -1.109 1.00 0.00 C ATOM 312 OD1 ASN A 21 -9.498 4.955 -2.282 1.00 0.00 O ATOM 313 ND2 ASN A 21 -9.719 6.349 -0.618 1.00 0.00 N ATOM 0 H ASN A 21 -6.653 2.894 0.201 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.016 5.705 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.287 3.339 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.293 3.851 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.192 7.024 -1.219 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.564 6.564 0.367 1.00 0.00 H new ATOM 320 N ASN A 22 -8.277 4.640 2.705 1.00 0.00 N ATOM 321 CA ASN A 22 -8.656 5.145 4.056 1.00 0.00 C ATOM 322 C ASN A 22 -7.399 5.501 4.852 1.00 0.00 C ATOM 323 O ASN A 22 -7.382 6.444 5.618 1.00 0.00 O ATOM 324 CB ASN A 22 -9.399 3.984 4.719 1.00 0.00 C ATOM 325 CG ASN A 22 -10.908 4.206 4.598 1.00 0.00 C ATOM 326 OD1 ASN A 22 -11.602 3.414 3.990 1.00 0.00 O ATOM 327 ND2 ASN A 22 -11.448 5.256 5.153 1.00 0.00 N ATOM 0 H ASN A 22 -8.446 3.646 2.549 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.270 6.045 4.006 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.120 3.043 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.115 3.909 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.453 5.413 5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.865 5.920 5.663 1.00 0.00 H new ATOM 334 N LEU A 23 -6.345 4.750 4.677 1.00 0.00 N ATOM 335 CA LEU A 23 -5.087 5.044 5.422 1.00 0.00 C ATOM 336 C LEU A 23 -4.704 6.516 5.248 1.00 0.00 C ATOM 337 O LEU A 23 -4.571 7.250 6.208 1.00 0.00 O ATOM 338 CB LEU A 23 -4.035 4.130 4.793 1.00 0.00 C ATOM 339 CG LEU A 23 -3.577 3.093 5.820 1.00 0.00 C ATOM 340 CD1 LEU A 23 -4.204 1.736 5.491 1.00 0.00 C ATOM 341 CD2 LEU A 23 -2.052 2.971 5.778 1.00 0.00 C ATOM 0 H LEU A 23 -6.301 3.946 4.051 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.186 4.870 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.449 3.631 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.184 4.719 4.452 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.890 3.407 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.877 0.997 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.290 1.820 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.891 1.423 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.726 2.232 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.739 2.658 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.603 3.936 6.012 1.00 0.00 H new ATOM 353 N GLY A 24 -4.529 6.957 4.031 1.00 0.00 N ATOM 354 CA GLY A 24 -4.160 8.384 3.801 1.00 0.00 C ATOM 355 C GLY A 24 -2.849 8.459 3.018 1.00 0.00 C ATOM 356 O GLY A 24 -2.807 8.994 1.927 1.00 0.00 O ATOM 0 H GLY A 24 -4.625 6.392 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.953 8.890 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.055 8.900 4.755 1.00 0.00 H new ATOM 360 N PRO A 25 -1.819 7.919 3.605 1.00 0.00 N ATOM 361 CA PRO A 25 -0.485 7.925 2.959 1.00 0.00 C ATOM 362 C PRO A 25 -0.576 7.402 1.527 1.00 0.00 C ATOM 363 O PRO A 25 -1.535 6.762 1.144 1.00 0.00 O ATOM 364 CB PRO A 25 0.348 6.989 3.829 1.00 0.00 C ATOM 365 CG PRO A 25 -0.347 6.951 5.154 1.00 0.00 C ATOM 366 CD PRO A 25 -1.802 7.260 4.914 1.00 0.00 C ATOM 0 HA PRO A 25 -0.055 8.924 2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.408 5.994 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.370 7.354 3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.235 5.971 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.091 7.678 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.406 6.353 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.205 7.909 5.692 1.00 0.00 H new ATOM 374 N VAL A 26 0.420 7.677 0.732 1.00 0.00 N ATOM 375 CA VAL A 26 0.405 7.206 -0.679 1.00 0.00 C ATOM 376 C VAL A 26 -0.937 7.542 -1.334 1.00 0.00 C ATOM 377 O VAL A 26 -1.796 6.695 -1.481 1.00 0.00 O ATOM 378 CB VAL A 26 0.600 5.692 -0.599 1.00 0.00 C ATOM 379 CG1 VAL A 26 0.810 5.129 -2.005 1.00 0.00 C ATOM 380 CG2 VAL A 26 1.828 5.381 0.260 1.00 0.00 C ATOM 0 H VAL A 26 1.247 8.210 1.001 1.00 0.00 H new ATOM 0 HA VAL A 26 1.180 7.682 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.284 5.236 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.949 4.049 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.063 5.350 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.693 5.585 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.968 4.302 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.710 5.838 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.681 5.782 1.263 1.00 0.00 H new ATOM 390 N LEU A 27 -1.123 8.771 -1.729 1.00 0.00 N ATOM 391 CA LEU A 27 -2.411 9.160 -2.374 1.00 0.00 C ATOM 392 C LEU A 27 -2.391 10.646 -2.739 1.00 0.00 C ATOM 393 O LEU A 27 -3.127 11.433 -2.177 1.00 0.00 O ATOM 394 CB LEU A 27 -3.483 8.885 -1.317 1.00 0.00 C ATOM 395 CG LEU A 27 -4.741 8.332 -1.988 1.00 0.00 C ATOM 396 CD1 LEU A 27 -5.175 9.269 -3.117 1.00 0.00 C ATOM 397 CD2 LEU A 27 -4.447 6.944 -2.562 1.00 0.00 C ATOM 0 H LEU A 27 -0.440 9.523 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.594 8.607 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.108 8.172 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.720 9.803 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.540 8.259 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.072 8.873 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.387 10.257 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.376 9.345 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.344 6.550 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.646 7.017 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.141 6.275 -1.758 1.00 0.00 H new ATOM 409 N PRO A 28 -1.546 10.981 -3.676 1.00 0.00 N ATOM 410 CA PRO A 28 -1.429 12.383 -4.124 1.00 0.00 C ATOM 411 C PRO A 28 -2.761 12.850 -4.700 1.00 0.00 C ATOM 412 O PRO A 28 -3.190 13.958 -4.440 1.00 0.00 O ATOM 413 CB PRO A 28 -0.344 12.345 -5.202 1.00 0.00 C ATOM 414 CG PRO A 28 0.361 11.039 -5.010 1.00 0.00 C ATOM 415 CD PRO A 28 -0.634 10.097 -4.396 1.00 0.00 C ATOM 0 HA PRO A 28 -1.177 13.073 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.778 12.414 -6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.345 13.183 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.724 10.652 -5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.230 11.160 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.156 9.515 -5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.152 9.386 -3.725 1.00 0.00 H new ATOM 423 N PRO A 29 -3.382 11.993 -5.469 1.00 0.00 N ATOM 424 CA PRO A 29 -4.672 12.340 -6.074 1.00 0.00 C ATOM 425 C PRO A 29 -5.589 13.009 -5.045 1.00 0.00 C ATOM 426 O PRO A 29 -5.793 12.501 -3.961 1.00 0.00 O ATOM 427 CB PRO A 29 -5.227 10.996 -6.524 1.00 0.00 C ATOM 428 CG PRO A 29 -4.016 10.183 -6.820 1.00 0.00 C ATOM 429 CD PRO A 29 -2.957 10.641 -5.856 1.00 0.00 C ATOM 0 HA PRO A 29 -4.585 13.051 -6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.836 10.536 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.861 11.101 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.221 9.120 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.693 10.327 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.893 9.981 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.972 10.651 -6.322 1.00 0.00 H new ATOM 437 N THR A 30 -6.140 14.146 -5.377 1.00 0.00 N ATOM 438 CA THR A 30 -7.043 14.850 -4.417 1.00 0.00 C ATOM 439 C THR A 30 -6.464 14.776 -3.001 1.00 0.00 C ATOM 440 O THR A 30 -6.810 13.910 -2.222 1.00 0.00 O ATOM 441 CB THR A 30 -8.374 14.100 -4.495 1.00 0.00 C ATOM 442 OG1 THR A 30 -8.135 12.745 -4.852 1.00 0.00 O ATOM 443 CG2 THR A 30 -9.269 14.756 -5.548 1.00 0.00 C ATOM 0 H THR A 30 -6.005 14.619 -6.271 1.00 0.00 H new ATOM 0 HA THR A 30 -7.160 15.906 -4.659 1.00 0.00 H new ATOM 0 HB THR A 30 -8.869 14.137 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.562 12.325 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.217 14.222 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.453 15.794 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.775 14.720 -6.519 1.00 0.00 H new ATOM 451 N ASN A 31 -5.578 15.673 -2.665 1.00 0.00 N ATOM 452 CA ASN A 31 -4.969 15.649 -1.302 1.00 0.00 C ATOM 453 C ASN A 31 -5.999 16.044 -0.240 1.00 0.00 C ATOM 454 O ASN A 31 -6.111 15.411 0.791 1.00 0.00 O ATOM 455 CB ASN A 31 -3.835 16.672 -1.361 1.00 0.00 C ATOM 456 CG ASN A 31 -2.542 15.972 -1.778 1.00 0.00 C ATOM 457 OD1 ASN A 31 -2.095 16.113 -2.899 1.00 0.00 O ATOM 458 ND2 ASN A 31 -1.919 15.214 -0.917 1.00 0.00 N ATOM 0 H ASN A 31 -5.249 16.422 -3.274 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.612 14.655 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.079 17.462 -2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.707 17.147 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.057 14.740 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.295 15.096 0.024 1.00 0.00 H new ATOM 465 N VAL A 32 -6.749 17.087 -0.475 1.00 0.00 N ATOM 466 CA VAL A 32 -7.762 17.514 0.533 1.00 0.00 C ATOM 467 C VAL A 32 -9.174 17.434 -0.056 1.00 0.00 C ATOM 468 O VAL A 32 -10.035 16.753 0.462 1.00 0.00 O ATOM 469 CB VAL A 32 -7.402 18.962 0.867 1.00 0.00 C ATOM 470 CG1 VAL A 32 -8.378 19.506 1.912 1.00 0.00 C ATOM 471 CG2 VAL A 32 -5.978 19.015 1.427 1.00 0.00 C ATOM 0 H VAL A 32 -6.705 17.660 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.755 16.875 1.416 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.464 19.568 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.120 20.538 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.393 19.468 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.318 18.900 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.719 20.047 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.919 18.408 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.280 18.629 0.684 1.00 0.00 H new ATOM 481 N GLY A 33 -9.418 18.128 -1.135 1.00 0.00 N ATOM 482 CA GLY A 33 -10.775 18.092 -1.752 1.00 0.00 C ATOM 483 C GLY A 33 -11.241 16.642 -1.885 1.00 0.00 C ATOM 484 O GLY A 33 -10.785 15.909 -2.741 1.00 0.00 O ATOM 0 H GLY A 33 -8.738 18.717 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.479 18.656 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.752 18.568 -2.732 1.00 0.00 H new ATOM 488 N SER A 34 -12.148 16.220 -1.047 1.00 0.00 N ATOM 489 CA SER A 34 -12.642 14.816 -1.128 1.00 0.00 C ATOM 490 C SER A 34 -14.055 14.715 -0.549 1.00 0.00 C ATOM 491 O SER A 34 -14.646 15.700 -0.152 1.00 0.00 O ATOM 492 CB SER A 34 -11.661 14.001 -0.288 1.00 0.00 C ATOM 493 OG SER A 34 -11.774 14.393 1.075 1.00 0.00 O ATOM 0 H SER A 34 -12.568 16.786 -0.310 1.00 0.00 H new ATOM 0 HA SER A 34 -12.695 14.458 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.872 12.937 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.642 14.160 -0.641 1.00 0.00 H new ATOM 0 HG SER A 34 -11.264 15.217 1.222 1.00 0.00 H new ATOM 499 N ASN A 35 -14.601 13.530 -0.495 1.00 0.00 N ATOM 500 CA ASN A 35 -15.975 13.365 0.061 1.00 0.00 C ATOM 501 C ASN A 35 -16.951 14.311 -0.643 1.00 0.00 C ATOM 502 O ASN A 35 -17.322 15.340 -0.114 1.00 0.00 O ATOM 503 CB ASN A 35 -15.848 13.727 1.540 1.00 0.00 C ATOM 504 CG ASN A 35 -15.589 12.459 2.357 1.00 0.00 C ATOM 505 OD1 ASN A 35 -14.952 11.463 1.806 1.00 0.00 O flip ATOM 506 ND2 ASN A 35 -15.972 12.375 3.508 1.00 0.00 N flip ATOM 0 H ASN A 35 -14.155 12.669 -0.812 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.359 12.355 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.033 14.437 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.760 14.215 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.470 13.154 3.938 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.795 11.525 4.044 1.00 0.00 H new ATOM 513 N THR A 36 -17.373 13.969 -1.830 1.00 0.00 N ATOM 514 CA THR A 36 -18.327 14.848 -2.564 1.00 0.00 C ATOM 515 C THR A 36 -19.603 15.046 -1.741 1.00 0.00 C ATOM 516 O THR A 36 -19.965 16.151 -1.392 1.00 0.00 O ATOM 517 CB THR A 36 -18.635 14.101 -3.863 1.00 0.00 C ATOM 518 OG1 THR A 36 -17.421 13.647 -4.444 1.00 0.00 O ATOM 519 CG2 THR A 36 -19.352 15.037 -4.837 1.00 0.00 C ATOM 0 H THR A 36 -17.098 13.119 -2.323 1.00 0.00 H new ATOM 0 HA THR A 36 -17.915 15.839 -2.753 1.00 0.00 H new ATOM 0 HB THR A 36 -19.277 13.247 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 36 -17.616 13.167 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 36 -19.570 14.502 -5.761 1.00 0.00 H new ATOM 0 HG22 THR A 36 -20.284 15.383 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 -18.714 15.893 -5.055 1.00 0.00 H new ATOM 527 N TYR A 37 -20.287 13.979 -1.427 1.00 0.00 N ATOM 528 CA TYR A 37 -21.537 14.102 -0.625 1.00 0.00 C ATOM 529 C TYR A 37 -21.215 14.049 0.870 1.00 0.00 C ATOM 530 O TYR A 37 -21.295 13.006 1.488 1.00 0.00 O ATOM 531 CB TYR A 37 -22.391 12.900 -1.032 1.00 0.00 C ATOM 532 CG TYR A 37 -23.268 13.280 -2.201 1.00 0.00 C ATOM 533 CD1 TYR A 37 -22.736 13.315 -3.494 1.00 0.00 C ATOM 534 CD2 TYR A 37 -24.616 13.598 -1.990 1.00 0.00 C ATOM 535 CE1 TYR A 37 -23.549 13.666 -4.578 1.00 0.00 C ATOM 536 CE2 TYR A 37 -25.429 13.950 -3.073 1.00 0.00 C ATOM 537 CZ TYR A 37 -24.896 13.984 -4.367 1.00 0.00 C ATOM 538 OH TYR A 37 -25.698 14.331 -5.435 1.00 0.00 O ATOM 0 H TYR A 37 -20.034 13.027 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 37 -22.050 15.046 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -21.751 12.060 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -23.006 12.576 -0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -21.697 13.071 -3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -25.027 13.571 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -23.138 13.691 -5.576 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -26.468 14.196 -2.911 1.00 0.00 H new ATOM 0 HH TYR A 37 -26.605 14.520 -5.115 1.00 0.00 H new HETATM 548 N NH2 A 38 -20.847 15.141 1.483 1.00 0.00 N TER 551 NH2 A 38