USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 317 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 Set 1.1: A 1 ASP N :NH3+ 155:sc= 0.384 (180deg=-0.176) USER MOD Set 1.2: A 6 HIS :FLIP no HD1:sc= -0.141 F(o=-2.2,f=0.24) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=-0.51) USER MOD Single : A 14 HIS : no HE2:sc= 0.127 K(o=0.13,f=-1.5!) USER MOD Single : A 15 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.011) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 109:sc= 0.0123 USER MOD Single : A 27 ASN : amide:sc= -0.671 K(o=-0.67,f=-2.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.868 2.863 18.295 1.00 0.00 N ATOM 2 CA ASP A 1 -16.510 4.105 18.786 1.00 0.00 C ATOM 3 C ASP A 1 -15.648 4.818 19.823 1.00 0.00 C ATOM 4 O ASP A 1 -16.165 5.573 20.642 1.00 0.00 O ATOM 5 CB ASP A 1 -17.850 3.751 19.425 1.00 0.00 C ATOM 6 CG ASP A 1 -18.904 4.834 19.228 1.00 0.00 C ATOM 7 OD1 ASP A 1 -19.055 5.310 18.106 1.00 0.00 O ATOM 8 OD2 ASP A 1 -19.867 4.887 20.182 1.00 0.00 O ATOM 0 H1 ASP A 1 -16.598 2.208 17.949 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.214 3.093 17.520 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.341 2.415 19.071 1.00 0.00 H new ATOM 0 HA ASP A 1 -16.643 4.773 17.935 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -18.214 2.815 19.000 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -17.705 3.582 20.492 1.00 0.00 H new ATOM 16 N ALA A 2 -14.350 4.518 19.806 1.00 0.00 N ATOM 17 CA ALA A 2 -13.424 4.833 20.901 1.00 0.00 C ATOM 18 C ALA A 2 -12.072 4.169 20.652 1.00 0.00 C ATOM 19 O ALA A 2 -11.061 4.848 20.503 1.00 0.00 O ATOM 20 CB ALA A 2 -13.964 4.345 22.262 1.00 0.00 C ATOM 0 H ALA A 2 -13.903 4.043 19.022 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.317 5.917 20.931 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.251 4.596 23.047 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.918 4.829 22.470 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.104 3.265 22.231 1.00 0.00 H new ATOM 26 N GLU A 3 -12.061 2.834 20.603 1.00 0.00 N ATOM 27 CA GLU A 3 -10.882 2.035 20.316 1.00 0.00 C ATOM 28 C GLU A 3 -11.331 0.716 19.701 1.00 0.00 C ATOM 29 O GLU A 3 -12.530 0.518 19.503 1.00 0.00 O ATOM 30 CB GLU A 3 -10.058 1.809 21.598 1.00 0.00 C ATOM 31 CG GLU A 3 -10.879 1.158 22.728 1.00 0.00 C ATOM 32 CD GLU A 3 -9.989 0.415 23.714 1.00 0.00 C ATOM 33 OE1 GLU A 3 -9.862 0.830 24.860 1.00 0.00 O ATOM 34 OE2 GLU A 3 -9.443 -0.740 23.251 1.00 0.00 O ATOM 0 H GLU A 3 -12.896 2.272 20.767 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.237 2.557 19.610 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.201 1.176 21.367 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.665 2.765 21.945 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.445 1.926 23.256 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.604 0.466 22.299 1.00 0.00 H new ATOM 42 N PHE A 4 -10.383 -0.155 19.341 1.00 0.00 N ATOM 43 CA PHE A 4 -10.603 -1.477 18.747 1.00 0.00 C ATOM 44 C PHE A 4 -11.159 -1.425 17.315 1.00 0.00 C ATOM 45 O PHE A 4 -10.939 -2.337 16.526 1.00 0.00 O ATOM 46 CB PHE A 4 -11.404 -2.373 19.705 1.00 0.00 C ATOM 47 CG PHE A 4 -11.287 -3.862 19.433 1.00 0.00 C ATOM 48 CD1 PHE A 4 -10.059 -4.518 19.648 1.00 0.00 C ATOM 49 CD2 PHE A 4 -12.409 -4.607 19.021 1.00 0.00 C ATOM 50 CE1 PHE A 4 -9.946 -5.902 19.430 1.00 0.00 C ATOM 51 CE2 PHE A 4 -12.299 -5.994 18.816 1.00 0.00 C ATOM 52 CZ PHE A 4 -11.067 -6.641 19.016 1.00 0.00 C ATOM 0 H PHE A 4 -9.392 0.054 19.462 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.628 -1.946 18.618 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -11.073 -2.177 20.725 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -12.455 -2.090 19.651 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.200 -3.955 19.982 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -13.356 -4.112 18.862 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.998 -6.397 19.581 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -13.162 -6.563 18.504 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.982 -7.705 18.852 1.00 0.00 H new ATOM 62 N ARG A 5 -11.835 -0.330 16.970 1.00 0.00 N ATOM 63 CA ARG A 5 -12.267 0.050 15.642 1.00 0.00 C ATOM 64 C ARG A 5 -11.688 1.423 15.295 1.00 0.00 C ATOM 65 O ARG A 5 -11.034 1.580 14.259 1.00 0.00 O ATOM 66 CB ARG A 5 -13.797 0.057 15.588 1.00 0.00 C ATOM 67 CG ARG A 5 -14.361 -1.319 15.966 1.00 0.00 C ATOM 68 CD ARG A 5 -15.724 -1.536 15.308 1.00 0.00 C ATOM 69 NE ARG A 5 -15.566 -1.657 13.853 1.00 0.00 N ATOM 70 CZ ARG A 5 -16.565 -1.760 12.969 1.00 0.00 C ATOM 71 NH1 ARG A 5 -17.836 -1.751 13.382 1.00 0.00 N ATOM 72 NH2 ARG A 5 -16.277 -1.874 11.668 1.00 0.00 N ATOM 0 H ARG A 5 -12.111 0.360 17.669 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.905 -0.668 14.906 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.186 0.814 16.269 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.129 0.328 14.586 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.670 -2.101 15.652 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.457 -1.395 17.049 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.191 -2.436 15.707 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.387 -0.703 15.542 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.615 -1.663 13.485 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.049 -1.665 14.376 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.593 -1.830 12.703 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.305 -1.882 11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.030 -1.953 10.984 1.00 0.00 H new ATOM 86 N HIS A 6 -11.893 2.411 16.184 1.00 0.00 N ATOM 87 CA HIS A 6 -11.400 3.779 16.021 1.00 0.00 C ATOM 88 C HIS A 6 -9.916 3.803 16.375 1.00 0.00 C ATOM 89 O HIS A 6 -9.492 4.439 17.335 1.00 0.00 O ATOM 90 CB HIS A 6 -12.194 4.770 16.889 1.00 0.00 C ATOM 91 CG HIS A 6 -13.605 5.045 16.428 1.00 0.00 C ATOM 92 ND1 HIS A 6 -14.448 4.165 15.809 1.00 0.00 N flip ATOM 93 CD2 HIS A 6 -14.258 6.262 16.522 1.00 0.00 C flip ATOM 94 CE1 HIS A 6 -15.611 4.854 15.528 1.00 0.00 C flip ATOM 95 NE2 HIS A 6 -15.474 6.121 15.964 1.00 0.00 N flip ATOM 0 H HIS A 6 -12.416 2.273 17.049 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.536 4.092 14.986 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.231 4.386 17.908 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.650 5.714 16.923 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.862 7.164 16.964 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.484 4.446 15.041 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.178 6.855 15.884 1.00 0.00 H new ATOM 104 N ASP A 7 -9.144 3.057 15.594 1.00 0.00 N ATOM 105 CA ASP A 7 -7.711 2.894 15.696 1.00 0.00 C ATOM 106 C ASP A 7 -7.299 2.101 14.467 1.00 0.00 C ATOM 107 O ASP A 7 -6.637 2.642 13.596 1.00 0.00 O ATOM 108 CB ASP A 7 -7.316 2.186 16.997 1.00 0.00 C ATOM 109 CG ASP A 7 -5.859 1.747 16.954 1.00 0.00 C ATOM 110 OD1 ASP A 7 -5.003 2.543 16.585 1.00 0.00 O ATOM 111 OD2 ASP A 7 -5.667 0.404 16.990 1.00 0.00 O ATOM 0 H ASP A 7 -9.536 2.516 14.823 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.200 3.856 15.730 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.474 2.855 17.843 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.957 1.318 17.153 1.00 0.00 H new ATOM 117 N SER A 8 -7.757 0.856 14.332 1.00 0.00 N ATOM 118 CA SER A 8 -7.526 0.055 13.140 1.00 0.00 C ATOM 119 C SER A 8 -7.848 0.824 11.856 1.00 0.00 C ATOM 120 O SER A 8 -7.016 0.907 10.955 1.00 0.00 O ATOM 121 CB SER A 8 -8.334 -1.231 13.253 1.00 0.00 C ATOM 122 OG SER A 8 -8.087 -1.809 14.520 1.00 0.00 O ATOM 0 H SER A 8 -8.300 0.378 15.051 1.00 0.00 H new ATOM 0 HA SER A 8 -6.466 -0.191 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.397 -1.022 13.133 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.054 -1.924 12.460 1.00 0.00 H new ATOM 0 HG SER A 8 -8.603 -2.638 14.608 1.00 0.00 H new ATOM 128 N GLY A 9 -9.042 1.421 11.772 1.00 0.00 N ATOM 129 CA GLY A 9 -9.437 2.108 10.549 1.00 0.00 C ATOM 130 C GLY A 9 -8.684 3.428 10.323 1.00 0.00 C ATOM 131 O GLY A 9 -8.750 3.984 9.230 1.00 0.00 O ATOM 0 H GLY A 9 -9.734 1.440 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.264 1.449 9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.508 2.310 10.583 1.00 0.00 H new ATOM 135 N TYR A 10 -7.959 3.930 11.329 1.00 0.00 N ATOM 136 CA TYR A 10 -7.034 5.045 11.178 1.00 0.00 C ATOM 137 C TYR A 10 -5.696 4.489 10.680 1.00 0.00 C ATOM 138 O TYR A 10 -5.119 4.959 9.701 1.00 0.00 O ATOM 139 CB TYR A 10 -6.908 5.753 12.537 1.00 0.00 C ATOM 140 CG TYR A 10 -5.903 6.886 12.621 1.00 0.00 C ATOM 141 CD1 TYR A 10 -6.105 8.066 11.882 1.00 0.00 C ATOM 142 CD2 TYR A 10 -4.867 6.828 13.574 1.00 0.00 C ATOM 143 CE1 TYR A 10 -5.306 9.197 12.128 1.00 0.00 C ATOM 144 CE2 TYR A 10 -4.080 7.962 13.827 1.00 0.00 C ATOM 145 CZ TYR A 10 -4.332 9.161 13.140 1.00 0.00 C ATOM 146 OH TYR A 10 -3.555 10.253 13.389 1.00 0.00 O ATOM 0 H TYR A 10 -8.003 3.565 12.280 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.385 5.778 10.451 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.888 6.146 12.809 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.644 5.007 13.287 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.874 8.103 11.125 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.678 5.910 14.110 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.441 10.092 11.539 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.280 7.913 14.551 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.936 10.054 14.122 1.00 0.00 H new ATOM 156 N GLU A 11 -5.226 3.449 11.367 1.00 0.00 N ATOM 157 CA GLU A 11 -3.943 2.814 11.180 1.00 0.00 C ATOM 158 C GLU A 11 -3.838 1.985 9.910 1.00 0.00 C ATOM 159 O GLU A 11 -2.709 1.631 9.584 1.00 0.00 O ATOM 160 CB GLU A 11 -3.619 1.929 12.386 1.00 0.00 C ATOM 161 CG GLU A 11 -3.343 2.776 13.643 1.00 0.00 C ATOM 162 CD GLU A 11 -2.064 3.599 13.511 1.00 0.00 C ATOM 163 OE1 GLU A 11 -2.136 4.780 13.175 1.00 0.00 O ATOM 164 OE2 GLU A 11 -0.908 2.883 13.515 1.00 0.00 O ATOM 0 H GLU A 11 -5.770 3.009 12.110 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.222 3.625 11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.451 1.251 12.577 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.749 1.311 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.186 3.443 13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.264 2.121 14.511 1.00 0.00 H new ATOM 172 N VAL A 12 -4.946 1.658 9.222 1.00 0.00 N ATOM 173 CA VAL A 12 -4.879 0.998 7.918 1.00 0.00 C ATOM 174 C VAL A 12 -3.907 1.767 7.040 1.00 0.00 C ATOM 175 O VAL A 12 -2.731 1.454 7.014 1.00 0.00 O ATOM 176 CB VAL A 12 -6.255 0.843 7.214 1.00 0.00 C ATOM 177 CG1 VAL A 12 -7.184 2.045 7.425 1.00 0.00 C ATOM 178 CG2 VAL A 12 -6.137 0.418 5.740 1.00 0.00 C ATOM 0 H VAL A 12 -5.894 1.842 9.551 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.532 -0.022 8.084 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.745 0.010 7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.127 1.871 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.374 2.176 8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.712 2.944 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.133 0.328 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.568 1.168 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.626 -0.543 5.678 1.00 0.00 H new ATOM 188 N HIS A 13 -4.393 2.759 6.308 1.00 0.00 N ATOM 189 CA HIS A 13 -3.669 3.442 5.256 1.00 0.00 C ATOM 190 C HIS A 13 -2.292 3.884 5.731 1.00 0.00 C ATOM 191 O HIS A 13 -1.318 3.628 5.031 1.00 0.00 O ATOM 192 CB HIS A 13 -4.523 4.580 4.704 1.00 0.00 C ATOM 193 CG HIS A 13 -5.792 4.064 4.069 1.00 0.00 C ATOM 194 ND1 HIS A 13 -7.050 4.058 4.644 1.00 0.00 N ATOM 195 CD2 HIS A 13 -5.863 3.383 2.885 1.00 0.00 C ATOM 196 CE1 HIS A 13 -7.874 3.393 3.813 1.00 0.00 C ATOM 197 NE2 HIS A 13 -7.175 2.976 2.739 1.00 0.00 N ATOM 0 H HIS A 13 -5.338 3.121 6.439 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.480 2.754 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.773 5.272 5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.949 5.142 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.051 3.199 2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.927 3.221 3.980 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -7.551 2.449 1.951 1.00 0.00 H new ATOM 206 N HIS A 14 -2.203 4.449 6.940 1.00 0.00 N ATOM 207 CA HIS A 14 -0.939 4.747 7.606 1.00 0.00 C ATOM 208 C HIS A 14 0.134 3.688 7.317 1.00 0.00 C ATOM 209 O HIS A 14 1.248 4.039 6.930 1.00 0.00 O ATOM 210 CB HIS A 14 -1.156 4.845 9.123 1.00 0.00 C ATOM 211 CG HIS A 14 -1.799 6.115 9.625 1.00 0.00 C ATOM 212 ND1 HIS A 14 -1.746 6.554 10.935 1.00 0.00 N ATOM 213 CD2 HIS A 14 -2.327 7.122 8.863 1.00 0.00 C ATOM 214 CE1 HIS A 14 -2.181 7.825 10.954 1.00 0.00 C ATOM 215 NE2 HIS A 14 -2.566 8.181 9.715 1.00 0.00 N ATOM 0 H HIS A 14 -3.021 4.714 7.488 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.585 5.700 7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.773 4.002 9.436 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.190 4.733 9.615 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.434 6.012 11.740 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.519 7.093 7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.216 8.461 11.826 1.00 0.00 H new ATOM 224 N GLN A 15 -0.199 2.405 7.500 1.00 0.00 N ATOM 225 CA GLN A 15 0.723 1.293 7.340 1.00 0.00 C ATOM 226 C GLN A 15 0.439 0.439 6.107 1.00 0.00 C ATOM 227 O GLN A 15 1.332 -0.266 5.643 1.00 0.00 O ATOM 228 CB GLN A 15 0.757 0.497 8.656 1.00 0.00 C ATOM 229 CG GLN A 15 1.687 -0.729 8.668 1.00 0.00 C ATOM 230 CD GLN A 15 0.917 -2.040 8.505 1.00 0.00 C ATOM 231 OE1 GLN A 15 0.660 -2.737 9.479 1.00 0.00 O ATOM 232 NE2 GLN A 15 0.528 -2.389 7.283 1.00 0.00 N ATOM 0 H GLN A 15 -1.139 2.113 7.769 1.00 0.00 H new ATOM 0 HA GLN A 15 1.722 1.683 7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.061 1.169 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.256 0.165 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.418 -0.636 7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.244 -0.751 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.753 -1.793 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.004 -3.253 7.142 1.00 0.00 H new ATOM 241 N LYS A 16 -0.761 0.483 5.539 1.00 0.00 N ATOM 242 CA LYS A 16 -1.075 -0.135 4.271 1.00 0.00 C ATOM 243 C LYS A 16 -0.230 0.561 3.212 1.00 0.00 C ATOM 244 O LYS A 16 0.248 -0.090 2.291 1.00 0.00 O ATOM 245 CB LYS A 16 -2.602 -0.107 4.012 1.00 0.00 C ATOM 246 CG LYS A 16 -3.072 0.517 2.688 1.00 0.00 C ATOM 247 CD LYS A 16 -2.751 -0.392 1.494 1.00 0.00 C ATOM 248 CE LYS A 16 -3.954 -1.251 1.088 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.915 -0.482 0.277 1.00 0.00 N ATOM 0 H LYS A 16 -1.556 0.962 5.963 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.824 -1.196 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.972 -1.131 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.075 0.437 4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.146 0.698 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.591 1.485 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.439 0.219 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.911 -1.040 1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.610 -2.117 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.451 -1.630 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.717 -1.091 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.261 0.331 0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.446 -0.142 -0.587 1.00 0.00 H new ATOM 263 N LEU A 17 -0.003 1.871 3.351 1.00 0.00 N ATOM 264 CA LEU A 17 0.718 2.635 2.352 1.00 0.00 C ATOM 265 C LEU A 17 2.144 2.103 2.309 1.00 0.00 C ATOM 266 O LEU A 17 2.648 1.699 1.259 1.00 0.00 O ATOM 267 CB LEU A 17 0.612 4.141 2.664 1.00 0.00 C ATOM 268 CG LEU A 17 -0.751 4.714 2.223 1.00 0.00 C ATOM 269 CD1 LEU A 17 -1.002 6.073 2.889 1.00 0.00 C ATOM 270 CD2 LEU A 17 -0.823 4.905 0.702 1.00 0.00 C ATOM 0 H LEU A 17 -0.314 2.418 4.154 1.00 0.00 H new ATOM 0 HA LEU A 17 0.291 2.519 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.747 4.303 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.415 4.676 2.157 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.510 3.994 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.968 6.463 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.002 5.953 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.215 6.770 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.798 5.310 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.042 5.596 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.680 3.944 0.207 1.00 0.00 H new ATOM 282 N VAL A 18 2.750 2.022 3.493 1.00 0.00 N ATOM 283 CA VAL A 18 4.076 1.462 3.660 1.00 0.00 C ATOM 284 C VAL A 18 4.116 0.016 3.156 1.00 0.00 C ATOM 285 O VAL A 18 4.890 -0.312 2.260 1.00 0.00 O ATOM 286 CB VAL A 18 4.544 1.606 5.114 1.00 0.00 C ATOM 287 CG1 VAL A 18 5.881 0.890 5.356 1.00 0.00 C ATOM 288 CG2 VAL A 18 4.697 3.086 5.487 1.00 0.00 C ATOM 0 H VAL A 18 2.327 2.346 4.363 1.00 0.00 H new ATOM 0 HA VAL A 18 4.783 2.024 3.050 1.00 0.00 H new ATOM 0 HB VAL A 18 3.782 1.142 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.178 1.016 6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.770 -0.172 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.645 1.317 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.030 3.168 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.432 3.552 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.738 3.591 5.373 1.00 0.00 H new ATOM 298 N PHE A 19 3.284 -0.851 3.740 1.00 0.00 N ATOM 299 CA PHE A 19 3.234 -2.274 3.434 1.00 0.00 C ATOM 300 C PHE A 19 3.094 -2.519 1.932 1.00 0.00 C ATOM 301 O PHE A 19 3.848 -3.306 1.370 1.00 0.00 O ATOM 302 CB PHE A 19 2.090 -2.932 4.215 1.00 0.00 C ATOM 303 CG PHE A 19 1.752 -4.343 3.775 1.00 0.00 C ATOM 304 CD1 PHE A 19 2.636 -5.401 4.053 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.582 -4.586 3.030 1.00 0.00 C ATOM 306 CE1 PHE A 19 2.342 -6.701 3.606 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.288 -5.885 2.584 1.00 0.00 C ATOM 308 CZ PHE A 19 1.168 -6.943 2.871 1.00 0.00 C ATOM 0 H PHE A 19 2.613 -0.571 4.455 1.00 0.00 H new ATOM 0 HA PHE A 19 4.175 -2.728 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.353 -2.949 5.273 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.199 -2.312 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.542 -5.214 4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.090 -3.772 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.018 -7.514 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.614 -6.071 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.942 -7.942 2.527 1.00 0.00 H new ATOM 318 N PHE A 20 2.138 -1.858 1.277 1.00 0.00 N ATOM 319 CA PHE A 20 1.892 -2.043 -0.143 1.00 0.00 C ATOM 320 C PHE A 20 3.123 -1.635 -0.940 1.00 0.00 C ATOM 321 O PHE A 20 3.601 -2.398 -1.777 1.00 0.00 O ATOM 322 CB PHE A 20 0.669 -1.240 -0.601 1.00 0.00 C ATOM 323 CG PHE A 20 -0.073 -1.845 -1.775 1.00 0.00 C ATOM 324 CD1 PHE A 20 0.382 -1.636 -3.089 1.00 0.00 C ATOM 325 CD2 PHE A 20 -1.240 -2.601 -1.551 1.00 0.00 C ATOM 326 CE1 PHE A 20 -0.348 -2.151 -4.175 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.983 -3.092 -2.637 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.538 -2.865 -3.951 1.00 0.00 C ATOM 0 H PHE A 20 1.517 -1.182 1.721 1.00 0.00 H new ATOM 0 HA PHE A 20 1.685 -3.098 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.021 -1.142 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.990 -0.234 -0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.291 -1.080 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.565 -2.804 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.006 -1.998 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.895 -3.643 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.110 -3.239 -4.788 1.00 0.00 H new ATOM 338 N ALA A 21 3.641 -0.430 -0.676 1.00 0.00 N ATOM 339 CA ALA A 21 4.841 0.056 -1.338 1.00 0.00 C ATOM 340 C ALA A 21 5.975 -0.963 -1.176 1.00 0.00 C ATOM 341 O ALA A 21 6.656 -1.285 -2.144 1.00 0.00 O ATOM 342 CB ALA A 21 5.230 1.415 -0.749 1.00 0.00 C ATOM 0 H ALA A 21 3.240 0.224 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 21 4.651 0.182 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.129 1.782 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.417 2.124 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.421 1.308 0.319 1.00 0.00 H new ATOM 348 N GLU A 22 6.157 -1.498 0.035 1.00 0.00 N ATOM 349 CA GLU A 22 7.146 -2.529 0.326 1.00 0.00 C ATOM 350 C GLU A 22 6.900 -3.800 -0.478 1.00 0.00 C ATOM 351 O GLU A 22 7.825 -4.357 -1.064 1.00 0.00 O ATOM 352 CB GLU A 22 7.155 -2.836 1.836 1.00 0.00 C ATOM 353 CG GLU A 22 8.445 -2.385 2.530 1.00 0.00 C ATOM 354 CD GLU A 22 9.570 -3.393 2.331 1.00 0.00 C ATOM 355 OE1 GLU A 22 9.655 -4.347 3.095 1.00 0.00 O ATOM 356 OE2 GLU A 22 10.322 -3.246 1.209 1.00 0.00 O ATOM 0 H GLU A 22 5.611 -1.220 0.850 1.00 0.00 H new ATOM 0 HA GLU A 22 8.123 -2.147 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.304 -2.343 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.025 -3.908 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.751 -1.415 2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.258 -2.253 3.596 1.00 0.00 H new ATOM 364 N ASP A 23 5.653 -4.263 -0.467 1.00 0.00 N ATOM 365 CA ASP A 23 5.225 -5.471 -1.149 1.00 0.00 C ATOM 366 C ASP A 23 5.592 -5.355 -2.625 1.00 0.00 C ATOM 367 O ASP A 23 6.281 -6.211 -3.166 1.00 0.00 O ATOM 368 CB ASP A 23 3.715 -5.683 -0.964 1.00 0.00 C ATOM 369 CG ASP A 23 3.279 -7.013 -1.564 1.00 0.00 C ATOM 370 OD1 ASP A 23 3.096 -7.090 -2.775 1.00 0.00 O ATOM 371 OD2 ASP A 23 3.060 -8.029 -0.685 1.00 0.00 O ATOM 0 H ASP A 23 4.896 -3.793 0.030 1.00 0.00 H new ATOM 0 HA ASP A 23 5.729 -6.339 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.467 -5.659 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.168 -4.868 -1.438 1.00 0.00 H new ATOM 377 N VAL A 24 5.155 -4.261 -3.250 1.00 0.00 N ATOM 378 CA VAL A 24 5.451 -3.954 -4.638 1.00 0.00 C ATOM 379 C VAL A 24 6.959 -3.848 -4.854 1.00 0.00 C ATOM 380 O VAL A 24 7.521 -4.472 -5.755 1.00 0.00 O ATOM 381 CB VAL A 24 4.694 -2.680 -5.050 1.00 0.00 C ATOM 382 CG1 VAL A 24 5.127 -2.199 -6.440 1.00 0.00 C ATOM 383 CG2 VAL A 24 3.179 -2.929 -5.048 1.00 0.00 C ATOM 0 H VAL A 24 4.577 -3.556 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 24 5.107 -4.763 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 24 4.937 -1.906 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.574 -1.297 -6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.195 -1.980 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.921 -2.977 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.660 -2.017 -5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.940 -3.725 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.860 -3.222 -4.048 1.00 0.00 H new ATOM 393 N GLY A 25 7.610 -3.042 -4.019 1.00 0.00 N ATOM 394 CA GLY A 25 9.025 -2.730 -4.123 1.00 0.00 C ATOM 395 C GLY A 25 9.840 -4.014 -4.141 1.00 0.00 C ATOM 396 O GLY A 25 10.641 -4.245 -5.044 1.00 0.00 O ATOM 0 H GLY A 25 7.153 -2.579 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.214 -2.157 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.331 -2.107 -3.283 1.00 0.00 H new ATOM 400 N SER A 26 9.581 -4.889 -3.171 1.00 0.00 N ATOM 401 CA SER A 26 10.251 -6.167 -3.039 1.00 0.00 C ATOM 402 C SER A 26 9.562 -7.259 -3.861 1.00 0.00 C ATOM 403 O SER A 26 9.620 -8.430 -3.491 1.00 0.00 O ATOM 404 CB SER A 26 10.333 -6.533 -1.551 1.00 0.00 C ATOM 405 OG SER A 26 10.826 -5.439 -0.791 1.00 0.00 O ATOM 0 H SER A 26 8.885 -4.720 -2.445 1.00 0.00 H new ATOM 0 HA SER A 26 11.261 -6.085 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.346 -6.820 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.985 -7.397 -1.419 1.00 0.00 H new ATOM 0 HG SER A 26 10.101 -5.065 -0.248 1.00 0.00 H new ATOM 411 N ASN A 27 8.930 -6.889 -4.979 1.00 0.00 N ATOM 412 CA ASN A 27 8.251 -7.818 -5.873 1.00 0.00 C ATOM 413 C ASN A 27 8.055 -7.207 -7.263 1.00 0.00 C ATOM 414 O ASN A 27 7.090 -7.501 -7.971 1.00 0.00 O ATOM 415 CB ASN A 27 6.927 -8.270 -5.240 1.00 0.00 C ATOM 416 CG ASN A 27 6.388 -9.558 -5.843 1.00 0.00 C ATOM 417 OD1 ASN A 27 7.103 -10.297 -6.513 1.00 0.00 O ATOM 418 ND2 ASN A 27 5.115 -9.853 -5.591 1.00 0.00 N ATOM 0 H ASN A 27 8.878 -5.919 -5.289 1.00 0.00 H new ATOM 0 HA ASN A 27 8.875 -8.701 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.072 -8.410 -4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.185 -7.481 -5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.709 -10.713 -5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.546 -9.219 -5.031 1.00 0.00 H new ATOM 425 N LYS A 28 9.020 -6.385 -7.689 1.00 0.00 N ATOM 426 CA LYS A 28 9.024 -5.754 -8.996 1.00 0.00 C ATOM 427 C LYS A 28 8.937 -6.812 -10.079 1.00 0.00 C ATOM 428 O LYS A 28 8.153 -6.685 -11.008 1.00 0.00 O ATOM 429 CB LYS A 28 10.268 -4.882 -9.202 1.00 0.00 C ATOM 430 CG LYS A 28 10.153 -3.530 -8.486 1.00 0.00 C ATOM 431 CD LYS A 28 10.994 -2.480 -9.225 1.00 0.00 C ATOM 432 CE LYS A 28 10.853 -1.099 -8.576 1.00 0.00 C ATOM 433 NZ LYS A 28 11.283 -0.033 -9.498 1.00 0.00 N ATOM 0 H LYS A 28 9.830 -6.141 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 28 8.153 -5.101 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.146 -5.412 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.420 -4.715 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.110 -3.215 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.494 -3.623 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.042 -2.781 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.681 -2.428 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.816 -0.935 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.450 -1.059 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.177 0.891 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.280 -0.179 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.696 -0.058 -10.356 1.00 0.00 H new ATOM 447 N GLY A 29 9.712 -7.878 -9.906 1.00 0.00 N ATOM 448 CA GLY A 29 9.675 -9.076 -10.733 1.00 0.00 C ATOM 449 C GLY A 29 8.249 -9.532 -11.059 1.00 0.00 C ATOM 450 O GLY A 29 8.017 -10.070 -12.139 1.00 0.00 O ATOM 0 H GLY A 29 10.406 -7.932 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.212 -8.886 -11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.200 -9.882 -10.220 1.00 0.00 H new ATOM 454 N ALA A 30 7.301 -9.319 -10.138 1.00 0.00 N ATOM 455 CA ALA A 30 5.905 -9.679 -10.331 1.00 0.00 C ATOM 456 C ALA A 30 5.096 -8.497 -10.868 1.00 0.00 C ATOM 457 O ALA A 30 4.345 -8.656 -11.825 1.00 0.00 O ATOM 458 CB ALA A 30 5.311 -10.207 -9.027 1.00 0.00 C ATOM 0 H ALA A 30 7.491 -8.888 -9.233 1.00 0.00 H new ATOM 0 HA ALA A 30 5.856 -10.471 -11.078 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.266 -10.473 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.865 -11.089 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.377 -9.437 -8.259 1.00 0.00 H new ATOM 464 N ILE A 31 5.236 -7.312 -10.259 1.00 0.00 N ATOM 465 CA ILE A 31 4.498 -6.117 -10.674 1.00 0.00 C ATOM 466 C ILE A 31 4.944 -5.596 -12.055 1.00 0.00 C ATOM 467 O ILE A 31 4.307 -4.725 -12.652 1.00 0.00 O ATOM 468 CB ILE A 31 4.492 -5.066 -9.537 1.00 0.00 C ATOM 469 CG1 ILE A 31 3.490 -5.457 -8.433 1.00 0.00 C ATOM 470 CG2 ILE A 31 4.088 -3.664 -10.020 1.00 0.00 C ATOM 471 CD1 ILE A 31 3.963 -6.581 -7.509 1.00 0.00 C ATOM 0 H ILE A 31 5.862 -7.157 -9.468 1.00 0.00 H new ATOM 0 HA ILE A 31 3.453 -6.383 -10.836 1.00 0.00 H new ATOM 0 HB ILE A 31 5.516 -5.043 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.273 -4.576 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.554 -5.760 -8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.102 -2.971 -9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.791 -3.325 -10.781 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.084 -3.700 -10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.194 -6.788 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.151 -7.480 -8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.882 -6.277 -7.007 1.00 0.00 H new ATOM 483 N ILE A 32 6.036 -6.153 -12.569 1.00 0.00 N ATOM 484 CA ILE A 32 6.601 -5.897 -13.884 1.00 0.00 C ATOM 485 C ILE A 32 5.551 -5.928 -15.002 1.00 0.00 C ATOM 486 O ILE A 32 4.463 -6.485 -14.867 1.00 0.00 O ATOM 487 CB ILE A 32 7.802 -6.846 -14.127 1.00 0.00 C ATOM 488 CG1 ILE A 32 9.092 -6.011 -14.085 1.00 0.00 C ATOM 489 CG2 ILE A 32 7.719 -7.692 -15.409 1.00 0.00 C ATOM 490 CD1 ILE A 32 10.363 -6.821 -14.351 1.00 0.00 C ATOM 0 H ILE A 32 6.581 -6.837 -12.044 1.00 0.00 H new ATOM 0 HA ILE A 32 6.978 -4.875 -13.908 1.00 0.00 H new ATOM 0 HB ILE A 32 7.789 -7.589 -13.330 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.021 -5.212 -14.823 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.174 -5.535 -13.108 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.605 -8.322 -15.487 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.829 -8.321 -15.373 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.663 -7.034 -16.276 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.230 -6.163 -14.305 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.460 -7.603 -13.598 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.305 -7.275 -15.340 1.00 0.00 H new ATOM 502 N GLY A 33 5.889 -5.305 -16.132 1.00 0.00 N ATOM 503 CA GLY A 33 4.981 -5.135 -17.249 1.00 0.00 C ATOM 504 C GLY A 33 4.325 -3.776 -17.088 1.00 0.00 C ATOM 505 O GLY A 33 4.826 -2.791 -17.621 1.00 0.00 O ATOM 0 H GLY A 33 6.813 -4.903 -16.291 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.519 -5.193 -18.195 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.231 -5.926 -17.260 1.00 0.00 H new ATOM 509 N LEU A 34 3.257 -3.683 -16.294 1.00 0.00 N ATOM 510 CA LEU A 34 2.534 -2.454 -16.063 1.00 0.00 C ATOM 511 C LEU A 34 3.409 -1.383 -15.428 1.00 0.00 C ATOM 512 O LEU A 34 3.182 -0.193 -15.612 1.00 0.00 O ATOM 513 CB LEU A 34 1.319 -2.757 -15.184 1.00 0.00 C ATOM 514 CG LEU A 34 -0.014 -2.640 -15.928 1.00 0.00 C ATOM 515 CD1 LEU A 34 -1.151 -2.995 -14.961 1.00 0.00 C ATOM 516 CD2 LEU A 34 -0.269 -1.230 -16.481 1.00 0.00 C ATOM 0 H LEU A 34 2.872 -4.481 -15.789 1.00 0.00 H new ATOM 0 HA LEU A 34 2.209 -2.055 -17.024 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.414 -3.765 -14.780 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.314 -2.073 -14.335 1.00 0.00 H new ATOM 0 HG LEU A 34 0.027 -3.324 -16.776 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.107 -2.916 -15.479 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.017 -4.015 -14.601 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.138 -2.307 -14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.229 -1.210 -16.998 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.284 -0.514 -15.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.525 -0.964 -17.179 1.00 0.00 H new ATOM 528 N MET A 35 4.432 -1.800 -14.696 1.00 0.00 N ATOM 529 CA MET A 35 5.374 -0.876 -14.097 1.00 0.00 C ATOM 530 C MET A 35 6.188 -0.160 -15.171 1.00 0.00 C ATOM 531 O MET A 35 6.652 0.955 -14.955 1.00 0.00 O ATOM 532 CB MET A 35 6.276 -1.625 -13.109 1.00 0.00 C ATOM 533 CG MET A 35 6.884 -0.667 -12.082 1.00 0.00 C ATOM 534 SD MET A 35 7.814 -1.480 -10.752 1.00 0.00 S ATOM 535 CE MET A 35 6.969 -0.854 -9.322 1.00 0.00 C ATOM 0 H MET A 35 4.629 -2.782 -14.504 1.00 0.00 H new ATOM 0 HA MET A 35 4.825 -0.112 -13.547 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.699 -2.394 -12.596 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.072 -2.133 -13.653 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.546 0.027 -12.599 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.084 -0.074 -11.639 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.426 -1.264 -8.421 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.042 0.233 -9.303 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.920 -1.147 -9.362 1.00 0.00 H new ATOM 545 N VAL A 36 6.359 -0.802 -16.327 1.00 0.00 N ATOM 546 CA VAL A 36 7.050 -0.224 -17.462 1.00 0.00 C ATOM 547 C VAL A 36 6.015 0.496 -18.333 1.00 0.00 C ATOM 548 O VAL A 36 6.168 1.663 -18.683 1.00 0.00 O ATOM 549 CB VAL A 36 7.831 -1.316 -18.206 1.00 0.00 C ATOM 550 CG1 VAL A 36 8.811 -0.703 -19.214 1.00 0.00 C ATOM 551 CG2 VAL A 36 8.616 -2.217 -17.238 1.00 0.00 C ATOM 0 H VAL A 36 6.015 -1.747 -16.496 1.00 0.00 H new ATOM 0 HA VAL A 36 7.791 0.513 -17.151 1.00 0.00 H new ATOM 0 HB VAL A 36 7.093 -1.921 -18.732 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.351 -1.499 -19.727 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.259 -0.110 -19.944 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.520 -0.063 -18.689 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.155 -2.977 -17.804 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.326 -1.613 -16.674 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.924 -2.701 -16.549 1.00 0.00 H new ATOM 561 N GLY A 37 4.925 -0.206 -18.644 1.00 0.00 N ATOM 562 CA GLY A 37 3.912 0.202 -19.603 1.00 0.00 C ATOM 563 C GLY A 37 3.008 1.304 -19.061 1.00 0.00 C ATOM 564 O GLY A 37 2.401 2.037 -19.836 1.00 0.00 O ATOM 0 H GLY A 37 4.721 -1.109 -18.215 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.398 0.550 -20.515 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.305 -0.661 -19.875 1.00 0.00 H new ATOM 568 N GLY A 38 2.903 1.420 -17.736 1.00 0.00 N ATOM 569 CA GLY A 38 2.112 2.446 -17.078 1.00 0.00 C ATOM 570 C GLY A 38 2.969 3.645 -16.680 1.00 0.00 C ATOM 571 O GLY A 38 2.419 4.677 -16.304 1.00 0.00 O ATOM 0 H GLY A 38 3.374 0.791 -17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.313 2.773 -17.743 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.636 2.027 -16.191 1.00 0.00 H new ATOM 575 N VAL A 39 4.302 3.521 -16.748 1.00 0.00 N ATOM 576 CA VAL A 39 5.229 4.570 -16.328 1.00 0.00 C ATOM 577 C VAL A 39 6.231 4.819 -17.462 1.00 0.00 C ATOM 578 O VAL A 39 7.424 4.996 -17.235 1.00 0.00 O ATOM 579 CB VAL A 39 5.901 4.194 -14.987 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.482 5.436 -14.295 1.00 0.00 C ATOM 581 CG2 VAL A 39 4.923 3.535 -14.001 1.00 0.00 C ATOM 0 H VAL A 39 4.766 2.683 -17.099 1.00 0.00 H new ATOM 0 HA VAL A 39 4.699 5.504 -16.141 1.00 0.00 H new ATOM 0 HB VAL A 39 6.689 3.485 -15.243 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.949 5.144 -13.354 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.228 5.898 -14.942 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.682 6.150 -14.097 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.447 3.292 -13.077 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.106 4.223 -13.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.522 2.622 -14.442 1.00 0.00 H new ATOM 591 N VAL A 40 5.730 4.816 -18.702 1.00 0.00 N ATOM 592 CA VAL A 40 6.533 4.978 -19.899 1.00 0.00 C ATOM 593 C VAL A 40 7.320 6.287 -19.828 1.00 0.00 C ATOM 594 O VAL A 40 8.526 6.312 -20.063 1.00 0.00 O ATOM 595 CB VAL A 40 5.655 4.937 -21.165 1.00 0.00 C ATOM 596 CG1 VAL A 40 6.529 4.928 -22.426 1.00 0.00 C ATOM 597 CG2 VAL A 40 4.740 3.710 -21.199 1.00 0.00 C ATOM 0 H VAL A 40 4.735 4.698 -18.896 1.00 0.00 H new ATOM 0 HA VAL A 40 7.237 4.148 -19.957 1.00 0.00 H new ATOM 0 HB VAL A 40 5.034 5.832 -21.139 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.892 4.899 -23.310 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.142 5.829 -22.450 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.175 4.050 -22.415 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.142 3.727 -22.110 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.346 2.804 -21.179 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.080 3.724 -20.332 1.00 0.00 H new ATOM 607 N ILE A 41 6.610 7.378 -19.530 1.00 0.00 N ATOM 608 CA ILE A 41 7.167 8.702 -19.338 1.00 0.00 C ATOM 609 C ILE A 41 7.047 9.017 -17.846 1.00 0.00 C ATOM 610 O ILE A 41 6.258 8.396 -17.134 1.00 0.00 O ATOM 611 CB ILE A 41 6.414 9.732 -20.196 1.00 0.00 C ATOM 612 CG1 ILE A 41 5.953 9.187 -21.566 1.00 0.00 C ATOM 613 CG2 ILE A 41 7.236 11.009 -20.431 1.00 0.00 C ATOM 614 CD1 ILE A 41 4.493 8.722 -21.536 1.00 0.00 C ATOM 0 H ILE A 41 5.597 7.354 -19.414 1.00 0.00 H new ATOM 0 HA ILE A 41 8.211 8.743 -19.650 1.00 0.00 H new ATOM 0 HB ILE A 41 5.527 9.966 -19.608 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.071 9.962 -22.323 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.593 8.355 -21.859 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.661 11.705 -21.042 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.468 11.474 -19.473 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.163 10.755 -20.945 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.210 8.346 -22.519 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.379 7.928 -20.798 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.850 9.560 -21.269 1.00 0.00 H new ATOM 626 N ALA A 42 7.819 10.000 -17.392 1.00 0.00 N ATOM 627 CA ALA A 42 7.879 10.489 -16.025 1.00 0.00 C ATOM 628 C ALA A 42 8.726 11.765 -15.994 1.00 0.00 C ATOM 629 O ALA A 42 8.853 12.343 -14.895 1.00 0.00 O ATOM 630 CB ALA A 42 8.459 9.415 -15.095 1.00 0.00 C ATOM 631 OXT ALA A 42 9.230 12.137 -17.079 1.00 0.00 O ATOM 0 H ALA A 42 8.456 10.504 -18.008 1.00 0.00 H new ATOM 0 HA ALA A 42 6.874 10.719 -15.670 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.497 9.798 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.827 8.527 -15.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.466 9.155 -15.422 1.00 0.00 H new TER 637 ALA A 42