USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 476 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.0567 (180deg=-0.352) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -25:sc= -0.0746 USER MOD Single : A 11 THR OG1 : rot 151:sc= 0.0312 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0615 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.062 X(o=-0.062,f=-0.49) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.892 USER MOD Single : A 32 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00704) USER MOD Single : A 38 THR OG1 : rot 150:sc= -0.012 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.56) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 62 GLN : amide:sc= -1.09 K(o=-1.1,f=-3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.218 -5.011 5.978 1.00 0.00 N ATOM 2 CA GLY A 1 -14.197 -3.945 5.780 1.00 0.00 C ATOM 3 C GLY A 1 -13.943 -3.642 4.315 1.00 0.00 C ATOM 4 O GLY A 1 -14.606 -2.781 3.733 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.353 -5.178 6.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.119 -4.712 5.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.896 -5.889 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.525 -3.035 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.263 -4.251 6.251 1.00 0.00 H new ATOM 10 N ALA A 2 -12.985 -4.351 3.716 1.00 0.00 N ATOM 11 CA ALA A 2 -12.645 -4.145 2.309 1.00 0.00 C ATOM 12 C ALA A 2 -13.793 -4.582 1.402 1.00 0.00 C ATOM 13 O ALA A 2 -14.512 -5.535 1.711 1.00 0.00 O ATOM 14 CB ALA A 2 -11.374 -4.904 1.953 1.00 0.00 C ATOM 0 H ALA A 2 -12.433 -5.071 4.182 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.473 -3.080 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.135 -4.740 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.551 -4.547 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.525 -5.969 2.129 1.00 0.00 H new ATOM 20 N MET A 3 -13.944 -3.874 0.276 1.00 0.00 N ATOM 21 CA MET A 3 -14.898 -4.253 -0.772 1.00 0.00 C ATOM 22 C MET A 3 -15.015 -3.143 -1.812 1.00 0.00 C ATOM 23 O MET A 3 -15.570 -2.086 -1.516 1.00 0.00 O ATOM 24 CB MET A 3 -16.271 -4.662 -0.224 1.00 0.00 C ATOM 25 CG MET A 3 -16.542 -6.155 -0.334 1.00 0.00 C ATOM 26 SD MET A 3 -18.140 -6.629 0.352 1.00 0.00 S ATOM 27 CE MET A 3 -18.122 -8.395 0.052 1.00 0.00 C ATOM 0 H MET A 3 -13.413 -3.029 0.067 1.00 0.00 H new ATOM 0 HA MET A 3 -14.499 -5.145 -1.255 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.341 -4.363 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.047 -4.118 -0.763 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.500 -6.451 -1.382 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.753 -6.702 0.183 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.048 -8.836 0.422 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.033 -8.581 -1.018 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.274 -8.843 0.570 1.00 0.00 H new ATOM 37 N GLY A 4 -14.511 -3.417 -3.027 1.00 0.00 N ATOM 38 CA GLY A 4 -14.489 -2.444 -4.126 1.00 0.00 C ATOM 39 C GLY A 4 -15.168 -1.107 -3.854 1.00 0.00 C ATOM 40 O GLY A 4 -16.208 -0.825 -4.452 1.00 0.00 O ATOM 0 H GLY A 4 -14.108 -4.321 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.450 -2.252 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.963 -2.899 -4.996 1.00 0.00 H new ATOM 44 N ALA A 5 -14.607 -0.272 -2.965 1.00 0.00 N ATOM 45 CA ALA A 5 -15.212 1.034 -2.699 1.00 0.00 C ATOM 46 C ALA A 5 -14.337 2.180 -3.219 1.00 0.00 C ATOM 47 O ALA A 5 -14.688 3.349 -3.046 1.00 0.00 O ATOM 48 CB ALA A 5 -15.512 1.202 -1.217 1.00 0.00 C ATOM 0 H ALA A 5 -13.760 -0.473 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 5 -16.156 1.075 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.961 2.180 -1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.204 0.424 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.586 1.123 -0.647 1.00 0.00 H new ATOM 54 N LYS A 6 -13.186 1.838 -3.833 1.00 0.00 N ATOM 55 CA LYS A 6 -12.270 2.838 -4.394 1.00 0.00 C ATOM 56 C LYS A 6 -11.432 3.481 -3.288 1.00 0.00 C ATOM 57 O LYS A 6 -11.332 4.707 -3.207 1.00 0.00 O ATOM 58 CB LYS A 6 -13.040 3.906 -5.191 1.00 0.00 C ATOM 59 CG LYS A 6 -13.784 3.346 -6.395 1.00 0.00 C ATOM 60 CD LYS A 6 -14.902 4.272 -6.852 1.00 0.00 C ATOM 61 CE LYS A 6 -16.101 4.218 -5.914 1.00 0.00 C ATOM 62 NZ LYS A 6 -16.749 2.875 -5.903 1.00 0.00 N ATOM 0 H LYS A 6 -12.873 0.874 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.594 2.331 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.753 4.398 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.340 4.670 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.083 3.191 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.201 2.371 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.528 5.294 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.215 3.994 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.781 4.473 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.831 4.969 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.709 2.956 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.802 2.507 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.189 2.224 -5.317 1.00 0.00 H new ATOM 76 N GLU A 7 -10.827 2.646 -2.436 1.00 0.00 N ATOM 77 CA GLU A 7 -10.041 3.141 -1.305 1.00 0.00 C ATOM 78 C GLU A 7 -8.595 3.452 -1.686 1.00 0.00 C ATOM 79 O GLU A 7 -7.920 2.645 -2.326 1.00 0.00 O ATOM 80 CB GLU A 7 -10.065 2.129 -0.153 1.00 0.00 C ATOM 81 CG GLU A 7 -11.451 1.900 0.432 1.00 0.00 C ATOM 82 CD GLU A 7 -11.932 0.471 0.257 1.00 0.00 C ATOM 83 OE1 GLU A 7 -12.403 0.135 -0.851 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.837 -0.311 1.226 1.00 0.00 O ATOM 0 H GLU A 7 -10.867 1.629 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.504 4.075 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.669 1.178 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.400 2.476 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.438 2.147 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.159 2.578 -0.045 1.00 0.00 H new ATOM 91 N TYR A 8 -8.142 4.637 -1.285 1.00 0.00 N ATOM 92 CA TYR A 8 -6.773 5.080 -1.539 1.00 0.00 C ATOM 93 C TYR A 8 -6.088 5.436 -0.224 1.00 0.00 C ATOM 94 O TYR A 8 -6.750 5.583 0.806 1.00 0.00 O ATOM 95 CB TYR A 8 -6.757 6.286 -2.483 1.00 0.00 C ATOM 96 CG TYR A 8 -7.658 6.127 -3.688 1.00 0.00 C ATOM 97 CD1 TYR A 8 -7.307 5.283 -4.732 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.860 6.818 -3.778 1.00 0.00 C ATOM 99 CE1 TYR A 8 -8.129 5.132 -5.832 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.687 6.673 -4.875 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.317 5.828 -5.900 1.00 0.00 C ATOM 102 OH TYR A 8 -10.136 5.678 -6.996 1.00 0.00 O ATOM 0 H TYR A 8 -8.710 5.315 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.230 4.264 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.060 7.174 -1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.736 6.456 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.377 4.736 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.153 7.480 -2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.842 4.471 -6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.618 7.218 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.934 6.237 -6.887 1.00 0.00 H new ATOM 112 N CYS A 9 -4.764 5.572 -0.252 1.00 0.00 N ATOM 113 CA CYS A 9 -4.021 5.910 0.959 1.00 0.00 C ATOM 114 C CYS A 9 -2.810 6.794 0.669 1.00 0.00 C ATOM 115 O CYS A 9 -2.163 6.655 -0.372 1.00 0.00 O ATOM 116 CB CYS A 9 -3.577 4.633 1.681 1.00 0.00 C ATOM 117 SG CYS A 9 -2.572 3.520 0.669 1.00 0.00 S ATOM 0 H CYS A 9 -4.191 5.455 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.693 6.479 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.009 4.910 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.462 4.096 2.023 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.841 3.714 -0.588 1.00 0.00 H new ATOM 123 N ARG A 10 -2.507 7.700 1.598 1.00 0.00 N ATOM 124 CA ARG A 10 -1.359 8.590 1.460 1.00 0.00 C ATOM 125 C ARG A 10 -0.213 8.080 2.325 1.00 0.00 C ATOM 126 O ARG A 10 -0.410 7.777 3.503 1.00 0.00 O ATOM 127 CB ARG A 10 -1.727 10.023 1.862 1.00 0.00 C ATOM 128 CG ARG A 10 -0.538 10.974 1.872 1.00 0.00 C ATOM 129 CD ARG A 10 -0.942 12.377 2.298 1.00 0.00 C ATOM 130 NE ARG A 10 0.222 13.214 2.589 1.00 0.00 N ATOM 131 CZ ARG A 10 0.917 13.887 1.666 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.578 13.823 0.380 1.00 0.00 N ATOM 133 NH2 ARG A 10 1.960 14.624 2.033 1.00 0.00 N ATOM 0 H ARG A 10 -3.043 7.836 2.455 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.049 8.601 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.481 10.403 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.180 10.009 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.226 10.594 2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.093 11.010 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.534 12.840 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.578 12.319 3.181 1.00 0.00 H new ATOM 0 HE ARG A 10 0.523 13.289 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.219 13.256 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.115 14.341 -0.315 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.228 14.675 3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.493 15.139 1.332 1.00 0.00 H new ATOM 147 N THR A 11 0.983 8.000 1.748 1.00 0.00 N ATOM 148 CA THR A 11 2.146 7.509 2.479 1.00 0.00 C ATOM 149 C THR A 11 2.656 8.540 3.483 1.00 0.00 C ATOM 150 O THR A 11 3.188 9.586 3.104 1.00 0.00 O ATOM 151 CB THR A 11 3.291 7.102 1.527 1.00 0.00 C ATOM 152 OG1 THR A 11 3.630 8.190 0.660 1.00 0.00 O ATOM 153 CG2 THR A 11 2.894 5.889 0.696 1.00 0.00 C ATOM 0 H THR A 11 1.171 8.267 0.782 1.00 0.00 H new ATOM 0 HA THR A 11 1.817 6.624 3.023 1.00 0.00 H new ATOM 0 HB THR A 11 4.160 6.844 2.133 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.575 8.126 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.715 5.619 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.672 5.052 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.011 6.127 0.103 1.00 0.00 H new ATOM 161 N LEU A 12 2.480 8.232 4.769 1.00 0.00 N ATOM 162 CA LEU A 12 2.931 9.125 5.835 1.00 0.00 C ATOM 163 C LEU A 12 4.433 8.946 6.077 1.00 0.00 C ATOM 164 O LEU A 12 5.069 9.795 6.702 1.00 0.00 O ATOM 165 CB LEU A 12 2.150 8.865 7.126 1.00 0.00 C ATOM 166 CG LEU A 12 0.637 9.088 7.028 1.00 0.00 C ATOM 167 CD1 LEU A 12 -0.038 8.756 8.350 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.330 10.522 6.615 1.00 0.00 C ATOM 0 H LEU A 12 2.031 7.376 5.095 1.00 0.00 H new ATOM 0 HA LEU A 12 2.746 10.153 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.330 7.837 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.547 9.512 7.909 1.00 0.00 H new ATOM 0 HG LEU A 12 0.242 8.420 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.112 8.920 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.150 7.712 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.364 9.397 9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.749 10.659 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.740 11.209 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.779 10.725 5.643 1.00 0.00 H new ATOM 180 N PHE A 13 4.993 7.832 5.582 1.00 0.00 N ATOM 181 CA PHE A 13 6.411 7.527 5.741 1.00 0.00 C ATOM 182 C PHE A 13 6.909 6.732 4.535 1.00 0.00 C ATOM 183 O PHE A 13 6.135 6.008 3.905 1.00 0.00 O ATOM 184 CB PHE A 13 6.655 6.736 7.030 1.00 0.00 C ATOM 185 CG PHE A 13 6.597 7.578 8.273 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.717 8.268 8.710 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.424 7.682 9.004 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.668 9.044 9.852 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.369 8.456 10.146 1.00 0.00 C ATOM 190 CZ PHE A 13 6.493 9.139 10.570 1.00 0.00 C ATOM 0 H PHE A 13 4.473 7.124 5.063 1.00 0.00 H new ATOM 0 HA PHE A 13 6.962 8.465 5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.913 5.941 7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.632 6.255 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.639 8.198 8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.542 7.151 8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.548 9.576 10.183 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.449 8.528 10.707 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.452 9.746 11.462 1.00 0.00 H new ATOM 200 N PRO A 14 8.207 6.849 4.194 1.00 0.00 N ATOM 201 CA PRO A 14 8.782 6.143 3.046 1.00 0.00 C ATOM 202 C PRO A 14 9.108 4.682 3.358 1.00 0.00 C ATOM 203 O PRO A 14 9.410 4.327 4.500 1.00 0.00 O ATOM 204 CB PRO A 14 10.061 6.932 2.771 1.00 0.00 C ATOM 205 CG PRO A 14 10.477 7.448 4.107 1.00 0.00 C ATOM 206 CD PRO A 14 9.210 7.674 4.895 1.00 0.00 C ATOM 0 HA PRO A 14 8.094 6.098 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.832 6.298 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.882 7.747 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.126 6.734 4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.041 8.375 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.325 7.366 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.927 8.727 4.904 1.00 0.00 H new ATOM 214 N TYR A 15 9.038 3.843 2.325 1.00 0.00 N ATOM 215 CA TYR A 15 9.318 2.417 2.457 1.00 0.00 C ATOM 216 C TYR A 15 10.042 1.890 1.222 1.00 0.00 C ATOM 217 O TYR A 15 9.601 2.110 0.094 1.00 0.00 O ATOM 218 CB TYR A 15 8.014 1.638 2.672 1.00 0.00 C ATOM 219 CG TYR A 15 8.209 0.145 2.832 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.245 -0.694 1.724 1.00 0.00 C ATOM 221 CD2 TYR A 15 8.360 -0.425 4.090 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.422 -2.058 1.866 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.538 -1.787 4.239 1.00 0.00 C ATOM 224 CZ TYR A 15 8.570 -2.599 3.124 1.00 0.00 C ATOM 225 OH TYR A 15 8.748 -3.956 3.269 1.00 0.00 O ATOM 0 H TYR A 15 8.787 4.132 1.380 1.00 0.00 H new ATOM 0 HA TYR A 15 9.965 2.276 3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.513 2.026 3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.351 1.819 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.133 -0.273 0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.338 0.207 4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.444 -2.696 0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.652 -2.214 5.224 1.00 0.00 H new ATOM 0 HH TYR A 15 8.837 -4.174 4.220 1.00 0.00 H new ATOM 235 N THR A 16 11.153 1.191 1.445 1.00 0.00 N ATOM 236 CA THR A 16 11.929 0.617 0.352 1.00 0.00 C ATOM 237 C THR A 16 11.771 -0.899 0.346 1.00 0.00 C ATOM 238 O THR A 16 11.989 -1.557 1.367 1.00 0.00 O ATOM 239 CB THR A 16 13.425 0.979 0.456 1.00 0.00 C ATOM 240 OG1 THR A 16 13.582 2.403 0.519 1.00 0.00 O ATOM 241 CG2 THR A 16 14.202 0.436 -0.737 1.00 0.00 C ATOM 0 H THR A 16 11.535 1.009 2.373 1.00 0.00 H new ATOM 0 HA THR A 16 11.547 1.036 -0.579 1.00 0.00 H new ATOM 0 HB THR A 16 13.820 0.526 1.365 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.534 2.624 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.254 0.705 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.107 -0.649 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.802 0.863 -1.657 1.00 0.00 H new ATOM 249 N GLY A 17 11.391 -1.452 -0.804 1.00 0.00 N ATOM 250 CA GLY A 17 11.200 -2.886 -0.911 1.00 0.00 C ATOM 251 C GLY A 17 12.503 -3.657 -0.986 1.00 0.00 C ATOM 252 O GLY A 17 13.441 -3.241 -1.669 1.00 0.00 O ATOM 0 H GLY A 17 11.212 -0.931 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.627 -3.235 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.606 -3.102 -1.799 1.00 0.00 H new ATOM 256 N THR A 18 12.557 -4.784 -0.282 1.00 0.00 N ATOM 257 CA THR A 18 13.746 -5.632 -0.274 1.00 0.00 C ATOM 258 C THR A 18 13.645 -6.722 -1.343 1.00 0.00 C ATOM 259 O THR A 18 14.642 -7.347 -1.710 1.00 0.00 O ATOM 260 CB THR A 18 13.970 -6.292 1.102 1.00 0.00 C ATOM 261 OG1 THR A 18 12.814 -7.050 1.483 1.00 0.00 O ATOM 262 CG2 THR A 18 14.271 -5.243 2.163 1.00 0.00 C ATOM 0 H THR A 18 11.789 -5.132 0.292 1.00 0.00 H new ATOM 0 HA THR A 18 14.596 -4.985 -0.491 1.00 0.00 H new ATOM 0 HB THR A 18 14.827 -6.961 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.969 -7.465 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.425 -5.732 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.171 -4.694 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.432 -4.551 2.238 1.00 0.00 H new ATOM 270 N ASN A 19 12.418 -6.935 -1.835 1.00 0.00 N ATOM 271 CA ASN A 19 12.128 -7.913 -2.874 1.00 0.00 C ATOM 272 C ASN A 19 11.477 -7.210 -4.061 1.00 0.00 C ATOM 273 O ASN A 19 10.864 -6.152 -3.898 1.00 0.00 O ATOM 274 CB ASN A 19 11.177 -8.984 -2.332 1.00 0.00 C ATOM 275 CG ASN A 19 11.726 -10.390 -2.479 1.00 0.00 C ATOM 276 OD1 ASN A 19 12.384 -10.718 -3.467 1.00 0.00 O ATOM 277 ND2 ASN A 19 11.459 -11.231 -1.485 1.00 0.00 N ATOM 0 H ASN A 19 11.595 -6.424 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 19 13.057 -8.387 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.977 -8.786 -1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.224 -8.915 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.803 -12.190 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.910 -10.917 -0.685 1.00 0.00 H new ATOM 284 N GLU A 20 11.611 -7.791 -5.250 1.00 0.00 N ATOM 285 CA GLU A 20 11.020 -7.203 -6.451 1.00 0.00 C ATOM 286 C GLU A 20 9.522 -6.948 -6.247 1.00 0.00 C ATOM 287 O GLU A 20 9.072 -5.802 -6.298 1.00 0.00 O ATOM 288 CB GLU A 20 11.261 -8.105 -7.666 1.00 0.00 C ATOM 289 CG GLU A 20 11.013 -7.414 -8.998 1.00 0.00 C ATOM 290 CD GLU A 20 11.880 -7.967 -10.113 1.00 0.00 C ATOM 291 OE1 GLU A 20 13.039 -7.518 -10.243 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.403 -8.852 -10.854 1.00 0.00 O ATOM 0 H GLU A 20 12.119 -8.661 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 20 11.503 -6.244 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.289 -8.467 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.613 -8.978 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.963 -7.524 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.204 -6.346 -8.890 1.00 0.00 H new ATOM 299 N ASP A 21 8.760 -8.025 -6.032 1.00 0.00 N ATOM 300 CA ASP A 21 7.312 -7.942 -5.800 1.00 0.00 C ATOM 301 C ASP A 21 6.922 -6.852 -4.797 1.00 0.00 C ATOM 302 O ASP A 21 5.891 -6.195 -4.959 1.00 0.00 O ATOM 303 CB ASP A 21 6.792 -9.286 -5.285 1.00 0.00 C ATOM 304 CG ASP A 21 6.893 -10.383 -6.326 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.990 -10.959 -6.479 1.00 0.00 O ATOM 306 OD2 ASP A 21 5.871 -10.668 -6.987 1.00 0.00 O ATOM 0 H ASP A 21 9.127 -8.977 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 21 6.862 -7.685 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.358 -9.576 -4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.752 -9.176 -4.977 1.00 0.00 H new ATOM 311 N GLU A 22 7.757 -6.657 -3.768 1.00 0.00 N ATOM 312 CA GLU A 22 7.482 -5.674 -2.722 1.00 0.00 C ATOM 313 C GLU A 22 7.464 -4.257 -3.300 1.00 0.00 C ATOM 314 O GLU A 22 8.217 -3.948 -4.227 1.00 0.00 O ATOM 315 CB GLU A 22 8.529 -5.792 -1.610 1.00 0.00 C ATOM 316 CG GLU A 22 8.080 -5.214 -0.277 1.00 0.00 C ATOM 317 CD GLU A 22 8.801 -5.840 0.902 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.000 -5.545 1.094 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.165 -6.629 1.635 1.00 0.00 O ATOM 0 H GLU A 22 8.629 -7.170 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 22 6.497 -5.876 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.782 -6.843 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.440 -5.284 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.254 -4.138 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.006 -5.364 -0.163 1.00 0.00 H new ATOM 326 N LEU A 23 6.604 -3.403 -2.745 1.00 0.00 N ATOM 327 CA LEU A 23 6.471 -2.029 -3.226 1.00 0.00 C ATOM 328 C LEU A 23 7.516 -1.101 -2.609 1.00 0.00 C ATOM 329 O LEU A 23 7.937 -1.292 -1.466 1.00 0.00 O ATOM 330 CB LEU A 23 5.062 -1.492 -2.951 1.00 0.00 C ATOM 331 CG LEU A 23 4.117 -1.505 -4.158 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.706 -1.129 -3.738 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.620 -0.557 -5.238 1.00 0.00 C ATOM 0 H LEU A 23 5.991 -3.638 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 23 6.641 -2.050 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.614 -2.082 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.145 -0.469 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 23 4.096 -2.516 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.051 -1.144 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.344 -1.844 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.710 -0.129 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.938 -0.578 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.670 0.456 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.613 -0.869 -5.562 1.00 0.00 H new ATOM 345 N THR A 24 7.926 -0.097 -3.385 1.00 0.00 N ATOM 346 CA THR A 24 8.903 0.894 -2.936 1.00 0.00 C ATOM 347 C THR A 24 8.358 2.296 -3.199 1.00 0.00 C ATOM 348 O THR A 24 7.822 2.561 -4.278 1.00 0.00 O ATOM 349 CB THR A 24 10.257 0.725 -3.660 1.00 0.00 C ATOM 350 OG1 THR A 24 10.782 -0.586 -3.416 1.00 0.00 O ATOM 351 CG2 THR A 24 11.261 1.772 -3.196 1.00 0.00 C ATOM 0 H THR A 24 7.592 0.051 -4.337 1.00 0.00 H new ATOM 0 HA THR A 24 9.070 0.747 -1.869 1.00 0.00 H new ATOM 0 HB THR A 24 10.088 0.859 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.640 -0.686 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.205 1.629 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.873 2.768 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.424 1.669 -2.123 1.00 0.00 H new ATOM 359 N PHE A 25 8.491 3.194 -2.223 1.00 0.00 N ATOM 360 CA PHE A 25 7.990 4.558 -2.378 1.00 0.00 C ATOM 361 C PHE A 25 8.615 5.518 -1.361 1.00 0.00 C ATOM 362 O PHE A 25 9.243 5.091 -0.390 1.00 0.00 O ATOM 363 CB PHE A 25 6.463 4.574 -2.230 1.00 0.00 C ATOM 364 CG PHE A 25 5.952 3.801 -1.044 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.903 4.383 0.212 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.522 2.490 -1.189 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.433 3.674 1.302 1.00 0.00 C ATOM 368 CE2 PHE A 25 5.052 1.776 -0.104 1.00 0.00 C ATOM 369 CZ PHE A 25 5.007 2.368 1.144 1.00 0.00 C ATOM 0 H PHE A 25 8.937 3.004 -1.326 1.00 0.00 H new ATOM 0 HA PHE A 25 8.271 4.899 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.128 5.608 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.017 4.165 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.236 5.402 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.555 2.022 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.399 4.140 2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.720 0.756 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.640 1.812 1.994 1.00 0.00 H new ATOM 379 N ARG A 26 8.430 6.817 -1.596 1.00 0.00 N ATOM 380 CA ARG A 26 8.936 7.852 -0.692 1.00 0.00 C ATOM 381 C ARG A 26 7.760 8.483 0.048 1.00 0.00 C ATOM 382 O ARG A 26 6.604 8.276 -0.334 1.00 0.00 O ATOM 383 CB ARG A 26 9.704 8.921 -1.473 1.00 0.00 C ATOM 384 CG ARG A 26 10.890 8.376 -2.254 1.00 0.00 C ATOM 385 CD ARG A 26 11.518 9.448 -3.129 1.00 0.00 C ATOM 386 NE ARG A 26 12.645 8.931 -3.906 1.00 0.00 N ATOM 387 CZ ARG A 26 12.536 8.415 -5.135 1.00 0.00 C ATOM 388 NH1 ARG A 26 11.349 8.315 -5.728 1.00 0.00 N ATOM 389 NH2 ARG A 26 13.623 7.988 -5.769 1.00 0.00 N ATOM 0 H ARG A 26 7.931 7.180 -2.408 1.00 0.00 H new ATOM 0 HA ARG A 26 9.621 7.400 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.021 9.414 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.057 9.682 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.636 7.987 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.566 7.541 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.765 9.850 -3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.857 10.274 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 26 13.573 8.966 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.509 8.634 -5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.279 7.920 -6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.536 8.055 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.545 7.594 -6.706 1.00 0.00 H new ATOM 403 N GLU A 27 8.039 9.257 1.102 1.00 0.00 N ATOM 404 CA GLU A 27 6.972 9.893 1.871 1.00 0.00 C ATOM 405 C GLU A 27 6.226 10.916 1.012 1.00 0.00 C ATOM 406 O GLU A 27 6.841 11.700 0.288 1.00 0.00 O ATOM 407 CB GLU A 27 7.548 10.554 3.126 1.00 0.00 C ATOM 408 CG GLU A 27 6.502 10.946 4.156 1.00 0.00 C ATOM 409 CD GLU A 27 7.118 11.517 5.420 1.00 0.00 C ATOM 410 OE1 GLU A 27 7.737 10.743 6.184 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.983 12.737 5.649 1.00 0.00 O ATOM 0 H GLU A 27 8.982 9.455 1.436 1.00 0.00 H new ATOM 0 HA GLU A 27 6.260 9.128 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.260 9.871 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.104 11.444 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.826 11.682 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.902 10.072 4.410 1.00 0.00 H new ATOM 418 N GLY A 28 4.898 10.894 1.102 1.00 0.00 N ATOM 419 CA GLY A 28 4.083 11.791 0.304 1.00 0.00 C ATOM 420 C GLY A 28 3.843 11.226 -1.082 1.00 0.00 C ATOM 421 O GLY A 28 4.444 11.679 -2.059 1.00 0.00 O ATOM 0 H GLY A 28 4.373 10.270 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.128 11.959 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.575 12.760 0.224 1.00 0.00 H new ATOM 425 N GLU A 29 2.962 10.230 -1.160 1.00 0.00 N ATOM 426 CA GLU A 29 2.640 9.563 -2.422 1.00 0.00 C ATOM 427 C GLU A 29 1.387 8.707 -2.245 1.00 0.00 C ATOM 428 O GLU A 29 1.301 7.916 -1.301 1.00 0.00 O ATOM 429 CB GLU A 29 3.814 8.680 -2.865 1.00 0.00 C ATOM 430 CG GLU A 29 3.885 8.440 -4.366 1.00 0.00 C ATOM 431 CD GLU A 29 2.710 7.637 -4.894 1.00 0.00 C ATOM 432 OE1 GLU A 29 2.567 6.460 -4.501 1.00 0.00 O ATOM 433 OE2 GLU A 29 1.935 8.187 -5.704 1.00 0.00 O ATOM 0 H GLU A 29 2.453 9.864 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 29 2.457 10.317 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.745 9.143 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.741 7.718 -2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.922 9.400 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.811 7.916 -4.601 1.00 0.00 H new ATOM 440 N ILE A 30 0.419 8.859 -3.144 1.00 0.00 N ATOM 441 CA ILE A 30 -0.830 8.108 -3.039 1.00 0.00 C ATOM 442 C ILE A 30 -0.749 6.764 -3.753 1.00 0.00 C ATOM 443 O ILE A 30 -0.459 6.692 -4.949 1.00 0.00 O ATOM 444 CB ILE A 30 -2.026 8.901 -3.615 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.134 10.279 -2.951 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.325 8.118 -3.439 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.316 10.222 -1.449 1.00 0.00 C ATOM 0 H ILE A 30 0.473 9.488 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.987 7.939 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.855 9.048 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.235 10.852 -3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.974 10.818 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.155 8.693 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.249 7.165 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.500 7.937 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.384 11.235 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.231 9.678 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.464 9.712 -0.998 1.00 0.00 H new ATOM 459 N ILE A 31 -1.016 5.701 -2.996 1.00 0.00 N ATOM 460 CA ILE A 31 -0.970 4.343 -3.520 1.00 0.00 C ATOM 461 C ILE A 31 -2.378 3.765 -3.630 1.00 0.00 C ATOM 462 O ILE A 31 -3.254 4.084 -2.823 1.00 0.00 O ATOM 463 CB ILE A 31 -0.105 3.426 -2.622 1.00 0.00 C ATOM 464 CG1 ILE A 31 1.276 4.052 -2.389 1.00 0.00 C ATOM 465 CG2 ILE A 31 0.035 2.038 -3.240 1.00 0.00 C ATOM 466 CD1 ILE A 31 2.129 3.295 -1.391 1.00 0.00 C ATOM 0 H ILE A 31 -1.268 5.759 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.518 4.387 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.605 3.321 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.806 4.105 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.146 5.076 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.647 1.411 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.952 1.589 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.510 2.121 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.090 3.797 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.621 3.264 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.291 2.278 -1.748 1.00 0.00 H new ATOM 478 N HIS A 32 -2.594 2.914 -4.626 1.00 0.00 N ATOM 479 CA HIS A 32 -3.904 2.306 -4.819 1.00 0.00 C ATOM 480 C HIS A 32 -4.061 1.109 -3.884 1.00 0.00 C ATOM 481 O HIS A 32 -3.286 0.157 -3.954 1.00 0.00 O ATOM 482 CB HIS A 32 -4.115 1.894 -6.278 1.00 0.00 C ATOM 483 CG HIS A 32 -4.880 2.902 -7.081 1.00 0.00 C ATOM 484 ND1 HIS A 32 -4.449 4.197 -7.272 1.00 0.00 N ATOM 485 CD2 HIS A 32 -6.059 2.798 -7.739 1.00 0.00 C ATOM 486 CE1 HIS A 32 -5.329 4.847 -8.012 1.00 0.00 C ATOM 487 NE2 HIS A 32 -6.315 4.020 -8.310 1.00 0.00 N ATOM 0 H HIS A 32 -1.887 2.632 -5.305 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.669 3.044 -4.577 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.144 1.731 -6.745 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.645 0.942 -6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.682 1.918 -7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.255 5.879 -8.321 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.134 4.252 -8.873 1.00 0.00 H new ATOM 496 N LEU A 33 -5.076 1.159 -3.015 1.00 0.00 N ATOM 497 CA LEU A 33 -5.310 0.088 -2.051 1.00 0.00 C ATOM 498 C LEU A 33 -6.070 -1.056 -2.710 1.00 0.00 C ATOM 499 O LEU A 33 -7.252 -0.921 -3.037 1.00 0.00 O ATOM 500 CB LEU A 33 -6.090 0.621 -0.842 1.00 0.00 C ATOM 501 CG LEU A 33 -6.067 -0.270 0.403 1.00 0.00 C ATOM 502 CD1 LEU A 33 -6.639 0.474 1.598 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.839 -1.560 0.162 1.00 0.00 C ATOM 0 H LEU A 33 -5.744 1.928 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.347 -0.287 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.689 1.599 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.128 0.773 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.030 -0.529 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.616 -0.173 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.044 1.367 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.669 0.763 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.808 -2.176 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.875 -1.324 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.387 -2.105 -0.667 1.00 0.00 H new ATOM 515 N ILE A 34 -5.381 -2.179 -2.912 1.00 0.00 N ATOM 516 CA ILE A 34 -5.983 -3.339 -3.564 1.00 0.00 C ATOM 517 C ILE A 34 -6.612 -4.301 -2.552 1.00 0.00 C ATOM 518 O ILE A 34 -7.754 -4.729 -2.730 1.00 0.00 O ATOM 519 CB ILE A 34 -4.946 -4.094 -4.430 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.277 -3.143 -5.431 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.588 -5.268 -5.155 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.243 -2.487 -6.395 1.00 0.00 C ATOM 0 H ILE A 34 -4.408 -2.309 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.775 -2.960 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.178 -4.488 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.746 -2.367 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.531 -3.697 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.836 -5.780 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.004 -5.963 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.384 -4.903 -5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.694 -1.830 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.757 -3.254 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.975 -1.903 -5.836 1.00 0.00 H new ATOM 534 N SER A 35 -5.878 -4.634 -1.489 1.00 0.00 N ATOM 535 CA SER A 35 -6.389 -5.554 -0.474 1.00 0.00 C ATOM 536 C SER A 35 -5.748 -5.309 0.891 1.00 0.00 C ATOM 537 O SER A 35 -4.523 -5.249 1.006 1.00 0.00 O ATOM 538 CB SER A 35 -6.129 -7.000 -0.903 1.00 0.00 C ATOM 539 OG SER A 35 -6.767 -7.917 -0.031 1.00 0.00 O ATOM 0 H SER A 35 -4.937 -4.284 -1.310 1.00 0.00 H new ATOM 0 HA SER A 35 -7.461 -5.377 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.490 -7.151 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.056 -7.191 -0.914 1.00 0.00 H new ATOM 0 HG SER A 35 -6.585 -8.833 -0.329 1.00 0.00 H new ATOM 545 N LYS A 36 -6.583 -5.173 1.924 1.00 0.00 N ATOM 546 CA LYS A 36 -6.086 -4.956 3.283 1.00 0.00 C ATOM 547 C LYS A 36 -5.671 -6.282 3.935 1.00 0.00 C ATOM 548 O LYS A 36 -4.964 -6.289 4.944 1.00 0.00 O ATOM 549 CB LYS A 36 -7.136 -4.241 4.138 1.00 0.00 C ATOM 550 CG LYS A 36 -7.450 -2.832 3.656 1.00 0.00 C ATOM 551 CD LYS A 36 -8.435 -2.125 4.575 1.00 0.00 C ATOM 552 CE LYS A 36 -9.830 -2.723 4.474 1.00 0.00 C ATOM 553 NZ LYS A 36 -10.803 -2.016 5.353 1.00 0.00 N ATOM 0 H LYS A 36 -7.599 -5.209 1.846 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.204 -4.319 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.054 -4.829 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.784 -4.195 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.528 -2.254 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.862 -2.876 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.084 -2.192 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.474 -1.066 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.172 -2.673 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.794 -3.778 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.720 -2.505 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.448 -2.011 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.921 -1.037 5.023 1.00 0.00 H new ATOM 567 N GLU A 37 -6.120 -7.398 3.357 1.00 0.00 N ATOM 568 CA GLU A 37 -5.770 -8.725 3.853 1.00 0.00 C ATOM 569 C GLU A 37 -4.972 -9.480 2.792 1.00 0.00 C ATOM 570 O GLU A 37 -5.541 -10.206 1.973 1.00 0.00 O ATOM 571 CB GLU A 37 -7.013 -9.510 4.280 1.00 0.00 C ATOM 572 CG GLU A 37 -7.724 -8.902 5.481 1.00 0.00 C ATOM 573 CD GLU A 37 -8.695 -9.864 6.141 1.00 0.00 C ATOM 574 OE1 GLU A 37 -9.791 -10.077 5.582 1.00 0.00 O ATOM 575 OE2 GLU A 37 -8.360 -10.400 7.217 1.00 0.00 O ATOM 0 H GLU A 37 -6.730 -7.405 2.540 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.148 -8.610 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.708 -9.561 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.724 -10.534 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.982 -8.583 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.263 -8.009 5.164 1.00 0.00 H new ATOM 582 N THR A 38 -3.654 -9.298 2.809 1.00 0.00 N ATOM 583 CA THR A 38 -2.774 -9.950 1.836 1.00 0.00 C ATOM 584 C THR A 38 -2.381 -11.367 2.266 1.00 0.00 C ATOM 585 O THR A 38 -1.580 -12.017 1.592 1.00 0.00 O ATOM 586 CB THR A 38 -1.487 -9.128 1.599 1.00 0.00 C ATOM 587 OG1 THR A 38 -0.664 -9.140 2.774 1.00 0.00 O ATOM 588 CG2 THR A 38 -1.824 -7.693 1.227 1.00 0.00 C ATOM 0 H THR A 38 -3.170 -8.706 3.484 1.00 0.00 H new ATOM 0 HA THR A 38 -3.346 -10.011 0.910 1.00 0.00 H new ATOM 0 HB THR A 38 -0.942 -9.586 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.278 -9.067 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.903 -7.133 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.419 -7.684 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.392 -7.231 2.035 1.00 0.00 H new ATOM 596 N GLY A 39 -2.942 -11.846 3.381 1.00 0.00 N ATOM 597 CA GLY A 39 -2.624 -13.181 3.856 1.00 0.00 C ATOM 598 C GLY A 39 -1.920 -13.178 5.203 1.00 0.00 C ATOM 599 O GLY A 39 -1.946 -14.175 5.925 1.00 0.00 O ATOM 0 H GLY A 39 -3.608 -11.332 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.543 -13.762 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.992 -13.681 3.122 1.00 0.00 H new ATOM 603 N GLU A 40 -1.297 -12.045 5.538 1.00 0.00 N ATOM 604 CA GLU A 40 -0.602 -11.880 6.809 1.00 0.00 C ATOM 605 C GLU A 40 -1.189 -10.664 7.528 1.00 0.00 C ATOM 606 O GLU A 40 -1.388 -9.614 6.916 1.00 0.00 O ATOM 607 CB GLU A 40 0.902 -11.704 6.580 1.00 0.00 C ATOM 608 CG GLU A 40 1.741 -11.915 7.833 1.00 0.00 C ATOM 609 CD GLU A 40 3.182 -12.269 7.519 1.00 0.00 C ATOM 610 OE1 GLU A 40 3.984 -11.344 7.272 1.00 0.00 O ATOM 611 OE2 GLU A 40 3.510 -13.474 7.517 1.00 0.00 O ATOM 0 H GLU A 40 -1.262 -11.222 4.936 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.738 -12.769 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.228 -12.406 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.087 -10.701 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.717 -11.009 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.298 -12.710 8.432 1.00 0.00 H new ATOM 618 N ALA A 41 -1.460 -10.809 8.825 1.00 0.00 N ATOM 619 CA ALA A 41 -2.042 -9.721 9.612 1.00 0.00 C ATOM 620 C ALA A 41 -1.179 -8.461 9.552 1.00 0.00 C ATOM 621 O ALA A 41 0.050 -8.534 9.628 1.00 0.00 O ATOM 622 CB ALA A 41 -2.244 -10.160 11.056 1.00 0.00 C ATOM 0 H ALA A 41 -1.287 -11.665 9.352 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.012 -9.479 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.677 -9.340 11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.916 -11.018 11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.283 -10.437 11.490 1.00 0.00 H new ATOM 628 N GLY A 42 -1.834 -7.304 9.412 1.00 0.00 N ATOM 629 CA GLY A 42 -1.118 -6.035 9.351 1.00 0.00 C ATOM 630 C GLY A 42 -0.532 -5.706 7.981 1.00 0.00 C ATOM 631 O GLY A 42 -0.085 -4.578 7.762 1.00 0.00 O ATOM 0 H GLY A 42 -2.848 -7.224 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.797 -5.234 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.311 -6.052 10.083 1.00 0.00 H new ATOM 635 N TRP A 43 -0.531 -6.670 7.058 1.00 0.00 N ATOM 636 CA TRP A 43 0.022 -6.451 5.723 1.00 0.00 C ATOM 637 C TRP A 43 -1.054 -6.033 4.726 1.00 0.00 C ATOM 638 O TRP A 43 -2.145 -6.606 4.694 1.00 0.00 O ATOM 639 CB TRP A 43 0.732 -7.711 5.224 1.00 0.00 C ATOM 640 CG TRP A 43 2.071 -7.923 5.859 1.00 0.00 C ATOM 641 CD1 TRP A 43 2.320 -8.490 7.075 1.00 0.00 C ATOM 642 CD2 TRP A 43 3.344 -7.565 5.313 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.673 -8.507 7.317 1.00 0.00 N ATOM 644 CE2 TRP A 43 4.322 -7.947 6.248 1.00 0.00 C ATOM 645 CE3 TRP A 43 3.752 -6.960 4.121 1.00 0.00 C ATOM 646 CZ2 TRP A 43 5.683 -7.743 6.028 1.00 0.00 C ATOM 647 CZ3 TRP A 43 5.100 -6.758 3.903 1.00 0.00 C ATOM 648 CH2 TRP A 43 6.053 -7.149 4.850 1.00 0.00 C ATOM 0 H TRP A 43 -0.906 -7.606 7.211 1.00 0.00 H new ATOM 0 HA TRP A 43 0.743 -5.637 5.800 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.102 -8.578 5.422 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.856 -7.647 4.143 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.565 -8.869 7.748 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.121 -8.876 8.156 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.025 -6.656 3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.419 -8.042 6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.425 -6.290 2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.100 -6.979 4.649 1.00 0.00 H new ATOM 659 N TRP A 44 -0.721 -5.038 3.901 1.00 0.00 N ATOM 660 CA TRP A 44 -1.634 -4.526 2.882 1.00 0.00 C ATOM 661 C TRP A 44 -1.009 -4.660 1.495 1.00 0.00 C ATOM 662 O TRP A 44 0.212 -4.744 1.357 1.00 0.00 O ATOM 663 CB TRP A 44 -1.985 -3.056 3.149 1.00 0.00 C ATOM 664 CG TRP A 44 -3.066 -2.846 4.170 1.00 0.00 C ATOM 665 CD1 TRP A 44 -3.543 -3.754 5.072 1.00 0.00 C ATOM 666 CD2 TRP A 44 -3.802 -1.638 4.393 1.00 0.00 C ATOM 667 NE1 TRP A 44 -4.532 -3.187 5.835 1.00 0.00 N ATOM 668 CE2 TRP A 44 -4.710 -1.889 5.440 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.783 -0.367 3.809 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.587 -0.917 5.913 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -4.655 0.597 4.281 1.00 0.00 C ATOM 672 CH2 TRP A 44 -5.547 0.317 5.325 1.00 0.00 C ATOM 0 H TRP A 44 0.184 -4.568 3.921 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.549 -5.116 2.924 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.086 -2.536 3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.294 -2.594 2.211 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.192 -4.771 5.170 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.051 -3.657 6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.099 -0.143 3.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.276 -1.130 6.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.648 1.582 3.838 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.216 1.091 5.672 1.00 0.00 H new ATOM 683 N LYS A 45 -1.860 -4.676 0.471 1.00 0.00 N ATOM 684 CA LYS A 45 -1.402 -4.792 -0.911 1.00 0.00 C ATOM 685 C LYS A 45 -1.897 -3.604 -1.726 1.00 0.00 C ATOM 686 O LYS A 45 -3.076 -3.252 -1.674 1.00 0.00 O ATOM 687 CB LYS A 45 -1.878 -6.105 -1.549 1.00 0.00 C ATOM 688 CG LYS A 45 -1.607 -6.186 -3.048 1.00 0.00 C ATOM 689 CD LYS A 45 -1.749 -7.604 -3.580 1.00 0.00 C ATOM 690 CE LYS A 45 -0.484 -8.419 -3.353 1.00 0.00 C ATOM 691 NZ LYS A 45 -0.520 -9.721 -4.078 1.00 0.00 N ATOM 0 H LYS A 45 -2.873 -4.610 0.573 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.312 -4.797 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.384 -6.941 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.948 -6.218 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.299 -5.530 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.601 -5.821 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.590 -8.094 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.975 -7.572 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.381 -7.844 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.357 -8.602 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.360 -10.244 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.331 -10.281 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.615 -9.547 -5.099 1.00 0.00 H new ATOM 705 N GLY A 46 -0.989 -2.994 -2.480 1.00 0.00 N ATOM 706 CA GLY A 46 -1.345 -1.852 -3.299 1.00 0.00 C ATOM 707 C GLY A 46 -0.628 -1.854 -4.632 1.00 0.00 C ATOM 708 O GLY A 46 0.240 -2.695 -4.876 1.00 0.00 O ATOM 0 H GLY A 46 -0.009 -3.272 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.422 -1.851 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.106 -0.934 -2.762 1.00 0.00 H new ATOM 712 N GLU A 47 -0.996 -0.917 -5.501 1.00 0.00 N ATOM 713 CA GLU A 47 -0.390 -0.825 -6.825 1.00 0.00 C ATOM 714 C GLU A 47 0.262 0.540 -7.041 1.00 0.00 C ATOM 715 O GLU A 47 -0.319 1.583 -6.733 1.00 0.00 O ATOM 716 CB GLU A 47 -1.443 -1.092 -7.902 1.00 0.00 C ATOM 717 CG GLU A 47 -0.867 -1.678 -9.182 1.00 0.00 C ATOM 718 CD GLU A 47 -0.697 -0.643 -10.277 1.00 0.00 C ATOM 719 OE1 GLU A 47 0.330 0.067 -10.269 1.00 0.00 O ATOM 720 OE2 GLU A 47 -1.591 -0.542 -11.144 1.00 0.00 O ATOM 0 H GLU A 47 -1.709 -0.212 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 47 0.391 -1.582 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.193 -1.776 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.955 -0.159 -8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.099 -2.133 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.521 -2.474 -9.539 1.00 0.00 H new ATOM 727 N LEU A 48 1.482 0.503 -7.578 1.00 0.00 N ATOM 728 CA LEU A 48 2.249 1.706 -7.888 1.00 0.00 C ATOM 729 C LEU A 48 3.302 1.379 -8.942 1.00 0.00 C ATOM 730 O LEU A 48 4.117 0.474 -8.755 1.00 0.00 O ATOM 731 CB LEU A 48 2.910 2.277 -6.634 1.00 0.00 C ATOM 732 CG LEU A 48 3.654 3.602 -6.841 1.00 0.00 C ATOM 733 CD1 LEU A 48 2.680 4.713 -7.203 1.00 0.00 C ATOM 734 CD2 LEU A 48 4.450 3.968 -5.596 1.00 0.00 C ATOM 0 H LEU A 48 1.965 -0.365 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 48 1.568 2.463 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.144 2.423 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.612 1.540 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 48 4.352 3.478 -7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.227 5.645 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.159 4.454 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.955 4.838 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.971 4.911 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.773 4.072 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.177 3.184 -5.385 1.00 0.00 H new ATOM 746 N ASN A 49 3.264 2.113 -10.053 1.00 0.00 N ATOM 747 CA ASN A 49 4.205 1.908 -11.154 1.00 0.00 C ATOM 748 C ASN A 49 3.967 0.549 -11.812 1.00 0.00 C ATOM 749 O ASN A 49 4.913 -0.165 -12.149 1.00 0.00 O ATOM 750 CB ASN A 49 5.660 2.022 -10.672 1.00 0.00 C ATOM 751 CG ASN A 49 5.952 3.350 -10.001 1.00 0.00 C ATOM 752 OD1 ASN A 49 5.358 4.375 -10.337 1.00 0.00 O ATOM 753 ND2 ASN A 49 6.873 3.340 -9.046 1.00 0.00 N ATOM 0 H ASN A 49 2.588 2.859 -10.215 1.00 0.00 H new ATOM 0 HA ASN A 49 4.034 2.691 -11.892 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.871 1.212 -9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.331 1.894 -11.521 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.113 4.204 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.341 2.468 -8.798 1.00 0.00 H new ATOM 760 N GLY A 50 2.683 0.198 -11.995 1.00 0.00 N ATOM 761 CA GLY A 50 2.321 -1.060 -12.625 1.00 0.00 C ATOM 762 C GLY A 50 2.715 -2.302 -11.842 1.00 0.00 C ATOM 763 O GLY A 50 2.604 -3.409 -12.372 1.00 0.00 O ATOM 0 H GLY A 50 1.889 0.773 -11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.243 -1.074 -12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.788 -1.105 -13.609 1.00 0.00 H new ATOM 767 N LYS A 51 3.165 -2.151 -10.591 1.00 0.00 N ATOM 768 CA LYS A 51 3.564 -3.301 -9.787 1.00 0.00 C ATOM 769 C LYS A 51 2.694 -3.438 -8.541 1.00 0.00 C ATOM 770 O LYS A 51 2.356 -2.445 -7.892 1.00 0.00 O ATOM 771 CB LYS A 51 5.036 -3.166 -9.376 1.00 0.00 C ATOM 772 CG LYS A 51 5.987 -4.006 -10.216 1.00 0.00 C ATOM 773 CD LYS A 51 5.820 -3.725 -11.702 1.00 0.00 C ATOM 774 CE LYS A 51 6.658 -4.670 -12.548 1.00 0.00 C ATOM 775 NZ LYS A 51 6.400 -4.489 -14.003 1.00 0.00 N ATOM 0 H LYS A 51 3.260 -1.251 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 51 3.432 -4.197 -10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.330 -2.119 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.139 -3.454 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.015 -3.799 -9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.807 -5.063 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.770 -3.825 -11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.108 -2.695 -11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.715 -4.500 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.440 -5.700 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.990 -5.151 -14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.397 -4.676 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.632 -3.513 -14.278 1.00 0.00 H new ATOM 789 N GLU A 52 2.344 -4.678 -8.213 1.00 0.00 N ATOM 790 CA GLU A 52 1.547 -4.971 -7.027 1.00 0.00 C ATOM 791 C GLU A 52 2.446 -5.613 -5.976 1.00 0.00 C ATOM 792 O GLU A 52 3.332 -6.401 -6.320 1.00 0.00 O ATOM 793 CB GLU A 52 0.381 -5.907 -7.368 1.00 0.00 C ATOM 794 CG GLU A 52 0.798 -7.207 -8.035 1.00 0.00 C ATOM 795 CD GLU A 52 -0.378 -8.128 -8.299 1.00 0.00 C ATOM 796 OE1 GLU A 52 -1.014 -7.989 -9.364 1.00 0.00 O ATOM 797 OE2 GLU A 52 -0.663 -8.988 -7.438 1.00 0.00 O ATOM 0 H GLU A 52 2.602 -5.501 -8.757 1.00 0.00 H new ATOM 0 HA GLU A 52 1.127 -4.043 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.162 -6.140 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.312 -5.381 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.299 -6.984 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.522 -7.720 -7.402 1.00 0.00 H new ATOM 804 N GLY A 53 2.233 -5.290 -4.708 1.00 0.00 N ATOM 805 CA GLY A 53 3.074 -5.866 -3.674 1.00 0.00 C ATOM 806 C GLY A 53 2.574 -5.611 -2.271 1.00 0.00 C ATOM 807 O GLY A 53 1.663 -4.807 -2.062 1.00 0.00 O ATOM 0 H GLY A 53 1.508 -4.652 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.146 -6.942 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.081 -5.461 -3.770 1.00 0.00 H new ATOM 811 N VAL A 54 3.186 -6.290 -1.304 1.00 0.00 N ATOM 812 CA VAL A 54 2.801 -6.141 0.091 1.00 0.00 C ATOM 813 C VAL A 54 3.711 -5.150 0.796 1.00 0.00 C ATOM 814 O VAL A 54 4.830 -4.873 0.357 1.00 0.00 O ATOM 815 CB VAL A 54 2.806 -7.485 0.846 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.805 -8.443 0.224 1.00 0.00 C ATOM 817 CG2 VAL A 54 4.202 -8.095 0.878 1.00 0.00 C ATOM 0 H VAL A 54 3.949 -6.947 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 54 1.779 -5.762 0.097 1.00 0.00 H new ATOM 0 HB VAL A 54 2.508 -7.298 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.820 -9.388 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.806 -8.010 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.070 -8.620 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.173 -9.042 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.547 -8.268 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.886 -7.412 1.381 1.00 0.00 H new ATOM 827 N PHE A 55 3.207 -4.632 1.906 1.00 0.00 N ATOM 828 CA PHE A 55 3.920 -3.645 2.701 1.00 0.00 C ATOM 829 C PHE A 55 3.153 -3.367 3.992 1.00 0.00 C ATOM 830 O PHE A 55 2.038 -3.858 4.178 1.00 0.00 O ATOM 831 CB PHE A 55 4.048 -2.347 1.887 1.00 0.00 C ATOM 832 CG PHE A 55 2.711 -1.764 1.510 1.00 0.00 C ATOM 833 CD1 PHE A 55 1.978 -2.308 0.468 1.00 0.00 C ATOM 834 CD2 PHE A 55 2.179 -0.688 2.205 1.00 0.00 C ATOM 835 CE1 PHE A 55 0.742 -1.794 0.129 1.00 0.00 C ATOM 836 CE2 PHE A 55 0.943 -0.167 1.866 1.00 0.00 C ATOM 837 CZ PHE A 55 0.223 -0.724 0.828 1.00 0.00 C ATOM 0 H PHE A 55 2.292 -4.884 2.280 1.00 0.00 H new ATOM 0 HA PHE A 55 4.911 -4.024 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.610 -1.614 2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.622 -2.546 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.378 -3.144 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.736 -0.252 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.181 -2.230 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.542 0.674 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.744 -0.323 0.564 1.00 0.00 H new ATOM 847 N PRO A 56 3.738 -2.577 4.905 1.00 0.00 N ATOM 848 CA PRO A 56 3.081 -2.184 6.145 1.00 0.00 C ATOM 849 C PRO A 56 1.956 -1.198 5.891 1.00 0.00 C ATOM 850 O PRO A 56 2.065 -0.270 5.086 1.00 0.00 O ATOM 851 CB PRO A 56 4.188 -1.489 6.958 1.00 0.00 C ATOM 852 CG PRO A 56 5.459 -1.601 6.165 1.00 0.00 C ATOM 853 CD PRO A 56 5.072 -1.965 4.766 1.00 0.00 C ATOM 0 HA PRO A 56 2.639 -3.042 6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.936 -0.443 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.301 -1.960 7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.007 -0.659 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.115 -2.359 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.042 -1.087 4.120 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.785 -2.661 4.324 1.00 0.00 H new ATOM 861 N ASP A 57 0.870 -1.402 6.646 1.00 0.00 N ATOM 862 CA ASP A 57 -0.324 -0.584 6.524 1.00 0.00 C ATOM 863 C ASP A 57 -0.242 0.608 7.487 1.00 0.00 C ATOM 864 O ASP A 57 -1.159 1.433 7.543 1.00 0.00 O ATOM 865 CB ASP A 57 -1.573 -1.447 6.782 1.00 0.00 C ATOM 866 CG ASP A 57 -2.092 -1.385 8.211 1.00 0.00 C ATOM 867 OD1 ASP A 57 -2.940 -0.509 8.492 1.00 0.00 O ATOM 868 OD2 ASP A 57 -1.670 -2.217 9.043 1.00 0.00 O ATOM 0 H ASP A 57 0.802 -2.136 7.352 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.398 -0.185 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.366 -1.129 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.341 -2.483 6.537 1.00 0.00 H new ATOM 873 N ASN A 58 0.871 0.699 8.236 1.00 0.00 N ATOM 874 CA ASN A 58 1.088 1.797 9.170 1.00 0.00 C ATOM 875 C ASN A 58 1.863 2.950 8.513 1.00 0.00 C ATOM 876 O ASN A 58 2.071 3.992 9.140 1.00 0.00 O ATOM 877 CB ASN A 58 1.855 1.311 10.405 1.00 0.00 C ATOM 878 CG ASN A 58 1.054 0.347 11.263 1.00 0.00 C ATOM 879 OD1 ASN A 58 -0.176 0.411 11.309 1.00 0.00 O ATOM 880 ND2 ASN A 58 1.750 -0.551 11.951 1.00 0.00 N ATOM 0 H ASN A 58 1.631 0.019 8.206 1.00 0.00 H new ATOM 0 HA ASN A 58 0.107 2.164 9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.776 0.824 10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.143 2.172 11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.267 -1.223 12.547 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.768 -0.568 11.883 1.00 0.00 H new ATOM 887 N PHE A 59 2.285 2.772 7.252 1.00 0.00 N ATOM 888 CA PHE A 59 3.039 3.809 6.538 1.00 0.00 C ATOM 889 C PHE A 59 2.154 4.569 5.540 1.00 0.00 C ATOM 890 O PHE A 59 2.651 5.397 4.774 1.00 0.00 O ATOM 891 CB PHE A 59 4.240 3.193 5.810 1.00 0.00 C ATOM 892 CG PHE A 59 5.318 2.689 6.732 1.00 0.00 C ATOM 893 CD1 PHE A 59 5.094 1.587 7.540 1.00 0.00 C ATOM 894 CD2 PHE A 59 6.555 3.312 6.785 1.00 0.00 C ATOM 895 CE1 PHE A 59 6.080 1.115 8.385 1.00 0.00 C ATOM 896 CE2 PHE A 59 7.546 2.845 7.628 1.00 0.00 C ATOM 897 CZ PHE A 59 7.307 1.745 8.429 1.00 0.00 C ATOM 0 H PHE A 59 2.117 1.924 6.710 1.00 0.00 H new ATOM 0 HA PHE A 59 3.396 4.522 7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.892 2.368 5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.668 3.939 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.136 1.090 7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.747 4.172 6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.891 0.255 9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.506 3.339 7.660 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.080 1.379 9.089 1.00 0.00 H new ATOM 907 N ALA A 60 0.849 4.280 5.544 1.00 0.00 N ATOM 908 CA ALA A 60 -0.092 4.934 4.640 1.00 0.00 C ATOM 909 C ALA A 60 -1.480 5.008 5.267 1.00 0.00 C ATOM 910 O ALA A 60 -2.025 3.991 5.704 1.00 0.00 O ATOM 911 CB ALA A 60 -0.152 4.195 3.309 1.00 0.00 C ATOM 0 H ALA A 60 0.423 3.594 6.167 1.00 0.00 H new ATOM 0 HA ALA A 60 0.258 5.950 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.858 4.695 2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.837 4.192 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.477 3.168 3.477 1.00 0.00 H new ATOM 917 N VAL A 61 -2.054 6.210 5.308 1.00 0.00 N ATOM 918 CA VAL A 61 -3.380 6.403 5.886 1.00 0.00 C ATOM 919 C VAL A 61 -4.485 6.233 4.840 1.00 0.00 C ATOM 920 O VAL A 61 -4.495 6.906 3.808 1.00 0.00 O ATOM 921 CB VAL A 61 -3.511 7.792 6.559 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.350 8.921 5.547 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.840 7.910 7.293 1.00 0.00 C ATOM 0 H VAL A 61 -1.622 7.061 4.949 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.501 5.632 6.647 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.705 7.885 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.448 9.881 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.367 8.855 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.120 8.835 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.912 8.893 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.659 7.783 6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.901 7.139 8.061 1.00 0.00 H new ATOM 933 N GLN A 62 -5.409 5.317 5.126 1.00 0.00 N ATOM 934 CA GLN A 62 -6.554 5.052 4.256 1.00 0.00 C ATOM 935 C GLN A 62 -7.621 6.130 4.440 1.00 0.00 C ATOM 936 O GLN A 62 -7.860 6.589 5.560 1.00 0.00 O ATOM 937 CB GLN A 62 -7.159 3.684 4.594 1.00 0.00 C ATOM 938 CG GLN A 62 -8.282 3.269 3.648 1.00 0.00 C ATOM 939 CD GLN A 62 -8.861 1.896 3.958 1.00 0.00 C ATOM 940 OE1 GLN A 62 -9.269 1.170 3.051 1.00 0.00 O ATOM 941 NE2 GLN A 62 -8.923 1.535 5.237 1.00 0.00 N ATOM 0 H GLN A 62 -5.385 4.739 5.966 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.211 5.058 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.372 2.930 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.543 3.706 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.080 4.010 3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.905 3.273 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.575 2.163 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.319 0.630 5.493 1.00 0.00 H new ATOM 950 N ILE A 63 -8.264 6.534 3.336 1.00 0.00 N ATOM 951 CA ILE A 63 -9.321 7.542 3.397 1.00 0.00 C ATOM 952 C ILE A 63 -10.498 7.012 4.216 1.00 0.00 C ATOM 953 O ILE A 63 -10.993 7.692 5.116 1.00 0.00 O ATOM 954 CB ILE A 63 -9.813 7.946 1.988 1.00 0.00 C ATOM 955 CG1 ILE A 63 -8.657 8.504 1.149 1.00 0.00 C ATOM 956 CG2 ILE A 63 -10.945 8.962 2.083 1.00 0.00 C ATOM 957 CD1 ILE A 63 -7.990 9.720 1.758 1.00 0.00 C ATOM 0 H ILE A 63 -8.070 6.179 2.399 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.903 8.428 3.874 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.195 7.053 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.910 7.722 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.032 8.764 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.276 9.233 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.778 8.528 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.591 9.853 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.183 10.056 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.723 10.519 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.584 9.461 2.736 1.00 0.00 H new ATOM 969 N SER A 64 -10.939 5.789 3.896 1.00 0.00 N ATOM 970 CA SER A 64 -12.055 5.163 4.598 1.00 0.00 C ATOM 971 C SER A 64 -11.767 3.684 4.864 1.00 0.00 C ATOM 972 O SER A 64 -11.857 2.878 3.911 1.00 0.00 O ATOM 973 CB SER A 64 -13.343 5.316 3.783 1.00 0.00 C ATOM 974 OG SER A 64 -13.692 6.681 3.627 1.00 0.00 O ATOM 975 OXT SER A 64 -11.450 3.343 6.023 1.00 0.00 O ATOM 0 H SER A 64 -10.536 5.217 3.154 1.00 0.00 H new ATOM 0 HA SER A 64 -12.183 5.664 5.558 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.213 4.857 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.155 4.785 4.279 1.00 0.00 H new ATOM 0 HG SER A 64 -14.517 6.750 3.102 1.00 0.00 H new TER 981 SER A 64