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 6 HIS : no HD1:sc= 0.263 K(o=0.83,f=-0.61) USER MOD Set 1.2: A 8 SER OG : rot -94:sc= 0.567 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.624 K(o=0.62,f=-2.3!) USER MOD Single : A 14 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.76) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= -0.103 (180deg=-0.132) USER MOD Single : A 26 SER OG : rot 79:sc= 0.444 USER MOD Single : A 27 ASN : amide:sc= 1.11 K(o=1.1,f=-0.048) USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= -0.0354 (180deg=-0.62) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.352 0.155 27.027 1.00 0.00 N ATOM 2 CA ASP A 1 -9.207 -0.152 25.863 1.00 0.00 C ATOM 3 C ASP A 1 -10.430 0.764 25.854 1.00 0.00 C ATOM 4 O ASP A 1 -11.090 0.904 26.879 1.00 0.00 O ATOM 5 CB ASP A 1 -9.666 -1.618 25.868 1.00 0.00 C ATOM 6 CG ASP A 1 -8.538 -2.613 25.615 1.00 0.00 C ATOM 7 OD1 ASP A 1 -7.503 -2.224 25.082 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.818 -3.917 25.888 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.523 -0.473 27.024 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.037 1.145 26.975 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.893 0.010 27.903 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.613 0.016 24.965 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -10.128 -1.842 26.830 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.435 -1.752 25.107 1.00 0.00 H new ATOM 16 N ALA A 2 -10.731 1.365 24.700 1.00 0.00 N ATOM 17 CA ALA A 2 -11.901 2.216 24.517 1.00 0.00 C ATOM 18 C ALA A 2 -12.239 2.302 23.029 1.00 0.00 C ATOM 19 O ALA A 2 -13.252 1.768 22.591 1.00 0.00 O ATOM 20 CB ALA A 2 -11.654 3.600 25.132 1.00 0.00 C ATOM 0 H ALA A 2 -10.161 1.271 23.860 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.758 1.783 25.034 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.536 4.225 24.988 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.455 3.494 26.198 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.796 4.066 24.647 1.00 0.00 H new ATOM 26 N GLU A 3 -11.369 2.957 22.250 1.00 0.00 N ATOM 27 CA GLU A 3 -11.516 3.120 20.804 1.00 0.00 C ATOM 28 C GLU A 3 -10.231 2.818 20.037 1.00 0.00 C ATOM 29 O GLU A 3 -10.259 2.731 18.811 1.00 0.00 O ATOM 30 CB GLU A 3 -12.040 4.522 20.471 1.00 0.00 C ATOM 31 CG GLU A 3 -13.476 4.730 20.977 1.00 0.00 C ATOM 32 CD GLU A 3 -14.034 6.076 20.538 1.00 0.00 C ATOM 33 OE1 GLU A 3 -13.331 7.078 20.627 1.00 0.00 O ATOM 34 OE2 GLU A 3 -15.224 6.042 19.886 1.00 0.00 O ATOM 0 H GLU A 3 -10.526 3.397 22.619 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.248 2.382 20.476 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.385 5.270 20.918 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.009 4.675 19.392 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.114 3.931 20.601 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.492 4.666 22.065 1.00 0.00 H new ATOM 42 N PHE A 4 -9.135 2.587 20.762 1.00 0.00 N ATOM 43 CA PHE A 4 -7.849 2.142 20.233 1.00 0.00 C ATOM 44 C PHE A 4 -8.052 0.994 19.248 1.00 0.00 C ATOM 45 O PHE A 4 -7.505 0.975 18.149 1.00 0.00 O ATOM 46 CB PHE A 4 -6.948 1.721 21.407 1.00 0.00 C ATOM 47 CG PHE A 4 -5.710 0.935 21.017 1.00 0.00 C ATOM 48 CD1 PHE A 4 -4.594 1.598 20.474 1.00 0.00 C ATOM 49 CD2 PHE A 4 -5.679 -0.464 21.188 1.00 0.00 C ATOM 50 CE1 PHE A 4 -3.447 0.868 20.116 1.00 0.00 C ATOM 51 CE2 PHE A 4 -4.533 -1.193 20.824 1.00 0.00 C ATOM 52 CZ PHE A 4 -3.416 -0.527 20.291 1.00 0.00 C ATOM 0 H PHE A 4 -9.121 2.710 21.774 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.366 2.955 19.692 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.637 2.616 21.945 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.537 1.121 22.100 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.619 2.668 20.332 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.536 -0.976 21.599 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.589 1.379 19.706 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.511 -2.265 20.954 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.534 -1.086 20.016 1.00 0.00 H new ATOM 62 N ARG A 5 -8.885 0.049 19.675 1.00 0.00 N ATOM 63 CA ARG A 5 -9.179 -1.151 18.927 1.00 0.00 C ATOM 64 C ARG A 5 -9.987 -0.860 17.652 1.00 0.00 C ATOM 65 O ARG A 5 -9.921 -1.637 16.702 1.00 0.00 O ATOM 66 CB ARG A 5 -9.888 -2.143 19.863 1.00 0.00 C ATOM 67 CG ARG A 5 -10.171 -3.419 19.080 1.00 0.00 C ATOM 68 CD ARG A 5 -10.501 -4.648 19.928 1.00 0.00 C ATOM 69 NE ARG A 5 -11.816 -4.536 20.572 1.00 0.00 N ATOM 70 CZ ARG A 5 -12.520 -5.580 21.037 1.00 0.00 C ATOM 71 NH1 ARG A 5 -12.010 -6.816 20.991 1.00 0.00 N ATOM 72 NH2 ARG A 5 -13.739 -5.383 21.546 1.00 0.00 N ATOM 0 H ARG A 5 -9.378 0.105 20.566 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.249 -1.596 18.574 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.264 -2.360 20.730 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.817 -1.714 20.238 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.004 -3.232 18.402 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.302 -3.647 18.463 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.480 -5.538 19.299 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.734 -4.778 20.691 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.220 -3.605 20.672 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.080 -6.970 20.601 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.551 -7.604 21.346 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.131 -4.442 21.580 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.278 -6.173 21.900 1.00 0.00 H new ATOM 86 N HIS A 6 -10.780 0.215 17.634 1.00 0.00 N ATOM 87 CA HIS A 6 -11.614 0.551 16.492 1.00 0.00 C ATOM 88 C HIS A 6 -10.792 1.435 15.546 1.00 0.00 C ATOM 89 O HIS A 6 -9.618 1.150 15.299 1.00 0.00 O ATOM 90 CB HIS A 6 -12.925 1.176 16.984 1.00 0.00 C ATOM 91 CG HIS A 6 -14.076 1.050 16.012 1.00 0.00 C ATOM 92 ND1 HIS A 6 -14.016 0.854 14.639 1.00 0.00 N ATOM 93 CD2 HIS A 6 -15.385 0.973 16.385 1.00 0.00 C ATOM 94 CE1 HIS A 6 -15.278 0.702 14.195 1.00 0.00 C ATOM 95 NE2 HIS A 6 -16.125 0.769 15.239 1.00 0.00 N ATOM 0 H HIS A 6 -10.857 0.871 18.411 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.912 -0.328 15.920 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.207 0.706 17.926 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.755 2.232 17.193 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.771 1.056 17.390 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.565 0.550 13.165 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.140 0.684 15.191 1.00 0.00 H new ATOM 104 N ASP A 7 -11.387 2.516 15.020 1.00 0.00 N ATOM 105 CA ASP A 7 -10.709 3.447 14.119 1.00 0.00 C ATOM 106 C ASP A 7 -10.174 2.691 12.897 1.00 0.00 C ATOM 107 O ASP A 7 -9.126 3.013 12.342 1.00 0.00 O ATOM 108 CB ASP A 7 -9.622 4.178 14.924 1.00 0.00 C ATOM 109 CG ASP A 7 -9.035 5.372 14.200 1.00 0.00 C ATOM 110 OD1 ASP A 7 -9.799 6.136 13.619 1.00 0.00 O ATOM 111 OD2 ASP A 7 -7.755 5.687 14.543 1.00 0.00 O ATOM 0 H ASP A 7 -12.357 2.766 15.212 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.391 4.200 13.724 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.045 4.510 15.872 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.822 3.476 15.160 1.00 0.00 H new ATOM 117 N SER A 8 -10.930 1.672 12.484 1.00 0.00 N ATOM 118 CA SER A 8 -10.569 0.686 11.492 1.00 0.00 C ATOM 119 C SER A 8 -10.525 1.349 10.123 1.00 0.00 C ATOM 120 O SER A 8 -9.474 1.405 9.499 1.00 0.00 O ATOM 121 CB SER A 8 -11.616 -0.431 11.561 1.00 0.00 C ATOM 122 OG SER A 8 -12.885 0.134 11.869 1.00 0.00 O ATOM 0 H SER A 8 -11.864 1.513 12.862 1.00 0.00 H new ATOM 0 HA SER A 8 -9.582 0.261 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.662 -0.961 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.336 -1.161 12.320 1.00 0.00 H new ATOM 0 HG SER A 8 -13.032 0.100 12.837 1.00 0.00 H new ATOM 128 N GLY A 9 -11.663 1.887 9.678 1.00 0.00 N ATOM 129 CA GLY A 9 -11.779 2.607 8.412 1.00 0.00 C ATOM 130 C GLY A 9 -10.684 3.665 8.232 1.00 0.00 C ATOM 131 O GLY A 9 -10.253 3.939 7.113 1.00 0.00 O ATOM 0 H GLY A 9 -12.540 1.833 10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.730 1.895 7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.756 3.088 8.360 1.00 0.00 H new ATOM 135 N TYR A 10 -10.222 4.259 9.334 1.00 0.00 N ATOM 136 CA TYR A 10 -9.104 5.184 9.313 1.00 0.00 C ATOM 137 C TYR A 10 -7.803 4.409 9.061 1.00 0.00 C ATOM 138 O TYR A 10 -7.170 4.567 8.013 1.00 0.00 O ATOM 139 CB TYR A 10 -9.108 5.944 10.643 1.00 0.00 C ATOM 140 CG TYR A 10 -8.260 7.196 10.707 1.00 0.00 C ATOM 141 CD1 TYR A 10 -8.618 8.321 9.942 1.00 0.00 C ATOM 142 CD2 TYR A 10 -7.285 7.322 11.713 1.00 0.00 C ATOM 143 CE1 TYR A 10 -8.013 9.563 10.193 1.00 0.00 C ATOM 144 CE2 TYR A 10 -6.743 8.581 12.020 1.00 0.00 C ATOM 145 CZ TYR A 10 -7.119 9.706 11.267 1.00 0.00 C ATOM 146 OH TYR A 10 -6.568 10.924 11.529 1.00 0.00 O ATOM 0 H TYR A 10 -10.617 4.108 10.262 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.188 5.911 8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.137 6.216 10.877 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.772 5.264 11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.359 8.229 9.161 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.952 6.447 12.252 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.235 10.409 9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.039 8.684 12.833 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.973 10.854 12.304 1.00 0.00 H new ATOM 156 N GLU A 11 -7.434 3.540 10.011 1.00 0.00 N ATOM 157 CA GLU A 11 -6.230 2.714 9.975 1.00 0.00 C ATOM 158 C GLU A 11 -6.023 2.063 8.603 1.00 0.00 C ATOM 159 O GLU A 11 -4.911 2.074 8.075 1.00 0.00 O ATOM 160 CB GLU A 11 -6.328 1.643 11.065 1.00 0.00 C ATOM 161 CG GLU A 11 -6.162 2.236 12.478 1.00 0.00 C ATOM 162 CD GLU A 11 -6.716 1.325 13.571 1.00 0.00 C ATOM 163 OE1 GLU A 11 -7.006 0.164 13.304 1.00 0.00 O ATOM 164 OE2 GLU A 11 -6.965 1.922 14.767 1.00 0.00 O ATOM 0 H GLU A 11 -7.989 3.391 10.854 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.367 3.354 10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.293 1.142 10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.562 0.886 10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.105 2.421 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.668 3.200 12.524 1.00 0.00 H new ATOM 172 N VAL A 12 -7.104 1.515 8.036 1.00 0.00 N ATOM 173 CA VAL A 12 -7.161 0.957 6.693 1.00 0.00 C ATOM 174 C VAL A 12 -6.327 1.769 5.738 1.00 0.00 C ATOM 175 O VAL A 12 -5.397 1.238 5.166 1.00 0.00 O ATOM 176 CB VAL A 12 -8.616 0.888 6.193 1.00 0.00 C ATOM 177 CG1 VAL A 12 -8.726 0.821 4.660 1.00 0.00 C ATOM 178 CG2 VAL A 12 -9.298 -0.336 6.796 1.00 0.00 C ATOM 0 H VAL A 12 -7.996 1.449 8.526 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.756 -0.054 6.735 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.106 1.809 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.776 0.774 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.269 1.709 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.210 -0.068 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.328 -0.388 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.765 -1.237 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.289 -0.259 7.883 1.00 0.00 H new ATOM 188 N HIS A 13 -6.672 3.031 5.541 1.00 0.00 N ATOM 189 CA HIS A 13 -6.061 3.852 4.523 1.00 0.00 C ATOM 190 C HIS A 13 -4.640 4.164 4.945 1.00 0.00 C ATOM 191 O HIS A 13 -3.720 4.015 4.144 1.00 0.00 O ATOM 192 CB HIS A 13 -6.890 5.111 4.300 1.00 0.00 C ATOM 193 CG HIS A 13 -8.279 4.796 3.809 1.00 0.00 C ATOM 194 ND1 HIS A 13 -9.415 4.685 4.591 1.00 0.00 N ATOM 195 CD2 HIS A 13 -8.608 4.436 2.530 1.00 0.00 C ATOM 196 CE1 HIS A 13 -10.425 4.304 3.789 1.00 0.00 C ATOM 197 NE2 HIS A 13 -9.959 4.151 2.535 1.00 0.00 N ATOM 0 H HIS A 13 -7.387 3.511 6.088 1.00 0.00 H new ATOM 0 HA HIS A 13 -6.028 3.325 3.570 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.954 5.672 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.387 5.752 3.576 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -9.475 4.860 5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.941 4.385 1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.447 4.146 4.101 1.00 0.00 H new ATOM 206 N HIS A 14 -4.472 4.541 6.218 1.00 0.00 N ATOM 207 CA HIS A 14 -3.171 4.853 6.790 1.00 0.00 C ATOM 208 C HIS A 14 -2.156 3.788 6.384 1.00 0.00 C ATOM 209 O HIS A 14 -1.048 4.142 5.988 1.00 0.00 O ATOM 210 CB HIS A 14 -3.236 4.986 8.317 1.00 0.00 C ATOM 211 CG HIS A 14 -3.915 6.239 8.817 1.00 0.00 C ATOM 212 ND1 HIS A 14 -3.459 7.028 9.857 1.00 0.00 N ATOM 213 CD2 HIS A 14 -5.042 6.821 8.308 1.00 0.00 C ATOM 214 CE1 HIS A 14 -4.290 8.079 9.965 1.00 0.00 C ATOM 215 NE2 HIS A 14 -5.261 7.970 9.039 1.00 0.00 N ATOM 0 H HIS A 14 -5.244 4.637 6.878 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.853 5.819 6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.761 4.120 8.721 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.221 4.957 8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.645 6.452 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.194 8.882 10.680 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.029 8.627 8.901 1.00 0.00 H new ATOM 224 N GLN A 15 -2.543 2.505 6.445 1.00 0.00 N ATOM 225 CA GLN A 15 -1.673 1.435 6.000 1.00 0.00 C ATOM 226 C GLN A 15 -1.829 1.043 4.544 1.00 0.00 C ATOM 227 O GLN A 15 -0.824 0.778 3.903 1.00 0.00 O ATOM 228 CB GLN A 15 -1.689 0.233 6.952 1.00 0.00 C ATOM 229 CG GLN A 15 -2.979 -0.597 6.880 1.00 0.00 C ATOM 230 CD GLN A 15 -2.902 -1.836 7.768 1.00 0.00 C ATOM 231 OE1 GLN A 15 -2.246 -1.833 8.803 1.00 0.00 O ATOM 232 NE2 GLN A 15 -3.560 -2.918 7.365 1.00 0.00 N ATOM 0 H GLN A 15 -3.449 2.196 6.798 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.671 1.862 6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.840 -0.411 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.553 0.588 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.825 0.018 7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.161 -0.899 5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.099 -2.894 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.526 -3.772 7.921 1.00 0.00 H new ATOM 241 N LYS A 16 -3.027 0.995 3.974 1.00 0.00 N ATOM 242 CA LYS A 16 -3.188 0.515 2.608 1.00 0.00 C ATOM 243 C LYS A 16 -2.420 1.427 1.655 1.00 0.00 C ATOM 244 O LYS A 16 -1.907 0.964 0.637 1.00 0.00 O ATOM 245 CB LYS A 16 -4.663 0.277 2.226 1.00 0.00 C ATOM 246 CG LYS A 16 -5.374 1.436 1.503 1.00 0.00 C ATOM 247 CD LYS A 16 -5.331 1.261 -0.027 1.00 0.00 C ATOM 248 CE LYS A 16 -6.582 0.556 -0.578 1.00 0.00 C ATOM 249 NZ LYS A 16 -6.842 -0.741 0.070 1.00 0.00 N ATOM 0 H LYS A 16 -3.893 1.280 4.431 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.747 -0.478 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.714 -0.606 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.219 0.047 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.411 1.491 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.902 2.380 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.233 2.239 -0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.446 0.686 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.448 1.204 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.464 0.403 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.634 -1.216 -0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.992 -1.337 0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.084 -0.587 1.070 1.00 0.00 H new ATOM 263 N LEU A 17 -2.286 2.708 2.030 1.00 0.00 N ATOM 264 CA LEU A 17 -1.625 3.687 1.178 1.00 0.00 C ATOM 265 C LEU A 17 -0.101 3.501 1.240 1.00 0.00 C ATOM 266 O LEU A 17 0.625 4.081 0.437 1.00 0.00 O ATOM 267 CB LEU A 17 -2.100 5.114 1.524 1.00 0.00 C ATOM 268 CG LEU A 17 -2.498 5.942 0.288 1.00 0.00 C ATOM 269 CD1 LEU A 17 -3.167 7.246 0.736 1.00 0.00 C ATOM 270 CD2 LEU A 17 -1.312 6.270 -0.625 1.00 0.00 C ATOM 0 H LEU A 17 -2.628 3.082 2.916 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.907 3.526 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.953 5.051 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.306 5.634 2.060 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.190 5.330 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.448 7.831 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.058 7.016 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.471 7.820 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.659 6.855 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.572 6.845 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.860 5.344 -0.981 1.00 0.00 H new ATOM 282 N VAL A 18 0.382 2.675 2.176 1.00 0.00 N ATOM 283 CA VAL A 18 1.787 2.356 2.361 1.00 0.00 C ATOM 284 C VAL A 18 2.038 0.899 1.945 1.00 0.00 C ATOM 285 O VAL A 18 2.819 0.631 1.032 1.00 0.00 O ATOM 286 CB VAL A 18 2.187 2.700 3.805 1.00 0.00 C ATOM 287 CG1 VAL A 18 3.502 2.037 4.238 1.00 0.00 C ATOM 288 CG2 VAL A 18 2.303 4.220 3.971 1.00 0.00 C ATOM 0 H VAL A 18 -0.223 2.198 2.845 1.00 0.00 H new ATOM 0 HA VAL A 18 2.432 2.956 1.719 1.00 0.00 H new ATOM 0 HB VAL A 18 1.400 2.307 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.730 2.318 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.402 0.954 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.309 2.368 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.587 4.453 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.061 4.604 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.343 4.685 3.745 1.00 0.00 H new ATOM 298 N PHE A 19 1.347 -0.042 2.591 1.00 0.00 N ATOM 299 CA PHE A 19 1.323 -1.467 2.296 1.00 0.00 C ATOM 300 C PHE A 19 1.307 -1.729 0.796 1.00 0.00 C ATOM 301 O PHE A 19 2.165 -2.456 0.314 1.00 0.00 O ATOM 302 CB PHE A 19 0.109 -2.133 2.962 1.00 0.00 C ATOM 303 CG PHE A 19 -0.141 -3.559 2.503 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.691 -4.598 2.959 1.00 0.00 C ATOM 305 CD2 PHE A 19 -1.100 -3.821 1.505 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.560 -5.892 2.426 1.00 0.00 C ATOM 307 CE2 PHE A 19 -1.223 -5.114 0.964 1.00 0.00 C ATOM 308 CZ PHE A 19 -0.394 -6.149 1.426 1.00 0.00 C ATOM 0 H PHE A 19 0.752 0.192 3.386 1.00 0.00 H new ATOM 0 HA PHE A 19 2.236 -1.902 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.253 -2.130 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.779 -1.535 2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.432 -4.401 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.743 -3.027 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.193 -6.690 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.954 -5.310 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.489 -7.142 1.013 1.00 0.00 H new ATOM 318 N PHE A 20 0.347 -1.164 0.053 1.00 0.00 N ATOM 319 CA PHE A 20 0.233 -1.478 -1.366 1.00 0.00 C ATOM 320 C PHE A 20 1.519 -1.109 -2.096 1.00 0.00 C ATOM 321 O PHE A 20 2.069 -1.899 -2.861 1.00 0.00 O ATOM 322 CB PHE A 20 -0.963 -0.749 -1.987 1.00 0.00 C ATOM 323 CG PHE A 20 -1.522 -1.431 -3.219 1.00 0.00 C ATOM 324 CD1 PHE A 20 -2.491 -2.443 -3.077 1.00 0.00 C ATOM 325 CD2 PHE A 20 -1.078 -1.063 -4.504 1.00 0.00 C ATOM 326 CE1 PHE A 20 -3.039 -3.059 -4.216 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.629 -1.680 -5.641 1.00 0.00 C ATOM 328 CZ PHE A 20 -2.615 -2.672 -5.498 1.00 0.00 C ATOM 0 H PHE A 20 -0.345 -0.503 0.406 1.00 0.00 H new ATOM 0 HA PHE A 20 0.070 -2.551 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.753 -0.664 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.662 0.265 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.814 -2.746 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.315 -0.307 -4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.787 -3.830 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.294 -1.391 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.046 -3.136 -6.373 1.00 0.00 H new ATOM 338 N ALA A 21 2.008 0.102 -1.826 1.00 0.00 N ATOM 339 CA ALA A 21 3.229 0.611 -2.419 1.00 0.00 C ATOM 340 C ALA A 21 4.399 -0.308 -2.080 1.00 0.00 C ATOM 341 O ALA A 21 5.180 -0.657 -2.959 1.00 0.00 O ATOM 342 CB ALA A 21 3.471 2.043 -1.929 1.00 0.00 C ATOM 0 H ALA A 21 1.559 0.756 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 21 3.135 0.633 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.389 2.429 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.632 2.674 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.565 2.045 -0.843 1.00 0.00 H new ATOM 348 N GLU A 22 4.502 -0.732 -0.820 1.00 0.00 N ATOM 349 CA GLU A 22 5.519 -1.674 -0.388 1.00 0.00 C ATOM 350 C GLU A 22 5.390 -3.018 -1.098 1.00 0.00 C ATOM 351 O GLU A 22 6.392 -3.616 -1.491 1.00 0.00 O ATOM 352 CB GLU A 22 5.442 -1.852 1.141 1.00 0.00 C ATOM 353 CG GLU A 22 6.610 -1.186 1.879 1.00 0.00 C ATOM 354 CD GLU A 22 7.882 -2.018 1.779 1.00 0.00 C ATOM 355 OE1 GLU A 22 8.130 -2.835 2.659 1.00 0.00 O ATOM 356 OE2 GLU A 22 8.522 -1.966 0.583 1.00 0.00 O ATOM 0 H GLU A 22 3.878 -0.427 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 22 6.494 -1.268 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.503 -1.433 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.429 -2.916 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.788 -0.195 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.347 -1.047 2.928 1.00 0.00 H new ATOM 364 N ASP A 23 4.155 -3.494 -1.223 1.00 0.00 N ATOM 365 CA ASP A 23 3.829 -4.795 -1.774 1.00 0.00 C ATOM 366 C ASP A 23 4.235 -4.827 -3.243 1.00 0.00 C ATOM 367 O ASP A 23 4.871 -5.776 -3.689 1.00 0.00 O ATOM 368 CB ASP A 23 2.337 -5.099 -1.577 1.00 0.00 C ATOM 369 CG ASP A 23 2.021 -6.564 -1.836 1.00 0.00 C ATOM 370 OD1 ASP A 23 2.719 -7.429 -1.315 1.00 0.00 O ATOM 371 OD2 ASP A 23 0.803 -6.816 -2.378 1.00 0.00 O ATOM 0 H ASP A 23 3.332 -2.965 -0.933 1.00 0.00 H new ATOM 0 HA ASP A 23 4.382 -5.575 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.044 -4.838 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.747 -4.475 -2.249 1.00 0.00 H new ATOM 377 N VAL A 24 3.905 -3.767 -3.982 1.00 0.00 N ATOM 378 CA VAL A 24 4.383 -3.572 -5.341 1.00 0.00 C ATOM 379 C VAL A 24 5.906 -3.455 -5.357 1.00 0.00 C ATOM 380 O VAL A 24 6.603 -4.211 -6.034 1.00 0.00 O ATOM 381 CB VAL A 24 3.684 -2.349 -5.964 1.00 0.00 C ATOM 382 CG1 VAL A 24 4.327 -1.942 -7.296 1.00 0.00 C ATOM 383 CG2 VAL A 24 2.193 -2.644 -6.191 1.00 0.00 C ATOM 0 H VAL A 24 3.296 -3.020 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 24 4.131 -4.438 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 24 3.796 -1.522 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.805 -1.076 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.375 -1.690 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.259 -2.770 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.712 -1.771 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.089 -3.494 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.719 -2.877 -5.238 1.00 0.00 H new ATOM 393 N GLY A 25 6.414 -2.482 -4.605 1.00 0.00 N ATOM 394 CA GLY A 25 7.805 -2.062 -4.631 1.00 0.00 C ATOM 395 C GLY A 25 8.728 -3.248 -4.391 1.00 0.00 C ATOM 396 O GLY A 25 9.677 -3.474 -5.137 1.00 0.00 O ATOM 0 H GLY A 25 5.849 -1.951 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.034 -1.605 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.975 -1.302 -3.869 1.00 0.00 H new ATOM 400 N SER A 26 8.410 -4.041 -3.368 1.00 0.00 N ATOM 401 CA SER A 26 9.212 -5.177 -2.952 1.00 0.00 C ATOM 402 C SER A 26 8.880 -6.449 -3.726 1.00 0.00 C ATOM 403 O SER A 26 9.262 -7.537 -3.306 1.00 0.00 O ATOM 404 CB SER A 26 9.069 -5.385 -1.440 1.00 0.00 C ATOM 405 OG SER A 26 9.092 -4.139 -0.766 1.00 0.00 O ATOM 0 H SER A 26 7.574 -3.905 -2.800 1.00 0.00 H new ATOM 0 HA SER A 26 10.253 -4.952 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.136 -5.905 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.878 -6.018 -1.075 1.00 0.00 H new ATOM 0 HG SER A 26 8.215 -3.708 -0.845 1.00 0.00 H new ATOM 411 N ASN A 27 8.199 -6.313 -4.864 1.00 0.00 N ATOM 412 CA ASN A 27 7.906 -7.398 -5.783 1.00 0.00 C ATOM 413 C ASN A 27 7.954 -6.869 -7.215 1.00 0.00 C ATOM 414 O ASN A 27 7.090 -7.172 -8.037 1.00 0.00 O ATOM 415 CB ASN A 27 6.567 -8.078 -5.461 1.00 0.00 C ATOM 416 CG ASN A 27 6.578 -8.829 -4.132 1.00 0.00 C ATOM 417 OD1 ASN A 27 7.038 -9.964 -4.064 1.00 0.00 O ATOM 418 ND2 ASN A 27 6.048 -8.225 -3.075 1.00 0.00 N ATOM 0 H ASN A 27 7.828 -5.415 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 27 8.665 -8.172 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.780 -7.324 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.318 -8.774 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.016 -8.706 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.673 -7.280 -3.162 1.00 0.00 H new ATOM 425 N LYS A 28 9.025 -6.137 -7.544 1.00 0.00 N ATOM 426 CA LYS A 28 9.332 -5.750 -8.911 1.00 0.00 C ATOM 427 C LYS A 28 9.324 -6.983 -9.799 1.00 0.00 C ATOM 428 O LYS A 28 8.720 -6.981 -10.863 1.00 0.00 O ATOM 429 CB LYS A 28 10.687 -5.038 -9.021 1.00 0.00 C ATOM 430 CG LYS A 28 10.583 -3.558 -8.640 1.00 0.00 C ATOM 431 CD LYS A 28 11.876 -2.771 -8.904 1.00 0.00 C ATOM 432 CE LYS A 28 12.311 -2.775 -10.380 1.00 0.00 C ATOM 433 NZ LYS A 28 13.289 -3.840 -10.672 1.00 0.00 N ATOM 0 H LYS A 28 9.702 -5.799 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 28 8.567 -5.046 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.411 -5.531 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.062 -5.126 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.767 -3.102 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.327 -3.479 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.737 -1.740 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.678 -3.192 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.434 -2.906 -11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.745 -1.807 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.198 -3.412 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.422 -4.430 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.938 -4.429 -11.454 1.00 0.00 H new ATOM 447 N GLY A 29 9.954 -8.048 -9.310 1.00 0.00 N ATOM 448 CA GLY A 29 9.960 -9.365 -9.930 1.00 0.00 C ATOM 449 C GLY A 29 8.567 -9.815 -10.384 1.00 0.00 C ATOM 450 O GLY A 29 8.457 -10.538 -11.370 1.00 0.00 O ATOM 0 H GLY A 29 10.491 -8.014 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.631 -9.354 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.359 -10.092 -9.223 1.00 0.00 H new ATOM 454 N ALA A 30 7.514 -9.395 -9.672 1.00 0.00 N ATOM 455 CA ALA A 30 6.138 -9.724 -10.007 1.00 0.00 C ATOM 456 C ALA A 30 5.508 -8.646 -10.898 1.00 0.00 C ATOM 457 O ALA A 30 4.951 -8.967 -11.944 1.00 0.00 O ATOM 458 CB ALA A 30 5.329 -9.960 -8.730 1.00 0.00 C ATOM 0 H ALA A 30 7.603 -8.812 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 30 6.130 -10.648 -10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.300 -10.206 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.768 -10.785 -8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.342 -9.058 -8.119 1.00 0.00 H new ATOM 464 N ILE A 31 5.583 -7.370 -10.493 1.00 0.00 N ATOM 465 CA ILE A 31 4.958 -6.257 -11.218 1.00 0.00 C ATOM 466 C ILE A 31 5.723 -5.878 -12.507 1.00 0.00 C ATOM 467 O ILE A 31 5.312 -5.006 -13.275 1.00 0.00 O ATOM 468 CB ILE A 31 4.653 -5.096 -10.239 1.00 0.00 C ATOM 469 CG1 ILE A 31 3.433 -5.429 -9.353 1.00 0.00 C ATOM 470 CG2 ILE A 31 4.319 -3.773 -10.948 1.00 0.00 C ATOM 471 CD1 ILE A 31 3.670 -6.506 -8.292 1.00 0.00 C ATOM 0 H ILE A 31 6.081 -7.081 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 31 3.991 -6.573 -11.609 1.00 0.00 H new ATOM 0 HB ILE A 31 5.565 -4.978 -9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.107 -4.516 -8.854 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.614 -5.750 -9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.116 -3.003 -10.204 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.164 -3.468 -11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.440 -3.910 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.753 -6.665 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.963 -7.437 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.463 -6.184 -7.617 1.00 0.00 H new ATOM 483 N ILE A 32 6.836 -6.565 -12.740 1.00 0.00 N ATOM 484 CA ILE A 32 7.695 -6.559 -13.914 1.00 0.00 C ATOM 485 C ILE A 32 6.958 -6.416 -15.251 1.00 0.00 C ATOM 486 O ILE A 32 5.764 -6.678 -15.385 1.00 0.00 O ATOM 487 CB ILE A 32 8.629 -7.796 -13.875 1.00 0.00 C ATOM 488 CG1 ILE A 32 10.082 -7.303 -13.854 1.00 0.00 C ATOM 489 CG2 ILE A 32 8.376 -8.826 -14.986 1.00 0.00 C ATOM 490 CD1 ILE A 32 11.119 -8.429 -13.903 1.00 0.00 C ATOM 0 H ILE A 32 7.195 -7.208 -12.034 1.00 0.00 H new ATOM 0 HA ILE A 32 8.296 -5.651 -13.863 1.00 0.00 H new ATOM 0 HB ILE A 32 8.406 -8.352 -12.964 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.242 -6.638 -14.702 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.242 -6.713 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.075 -9.655 -14.879 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.355 -9.200 -14.910 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.518 -8.355 -15.958 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.121 -8.001 -13.885 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.987 -9.083 -13.041 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.987 -9.006 -14.819 1.00 0.00 H new ATOM 502 N GLY A 33 7.703 -5.988 -16.271 1.00 0.00 N ATOM 503 CA GLY A 33 7.137 -5.625 -17.553 1.00 0.00 C ATOM 504 C GLY A 33 6.672 -4.185 -17.432 1.00 0.00 C ATOM 505 O GLY A 33 7.400 -3.269 -17.809 1.00 0.00 O ATOM 0 H GLY A 33 8.717 -5.886 -16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.878 -5.727 -18.346 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.304 -6.281 -17.808 1.00 0.00 H new ATOM 509 N LEU A 34 5.503 -3.954 -16.832 1.00 0.00 N ATOM 510 CA LEU A 34 4.958 -2.626 -16.715 1.00 0.00 C ATOM 511 C LEU A 34 5.867 -1.706 -15.910 1.00 0.00 C ATOM 512 O LEU A 34 5.961 -0.517 -16.182 1.00 0.00 O ATOM 513 CB LEU A 34 3.557 -2.702 -16.108 1.00 0.00 C ATOM 514 CG LEU A 34 2.484 -2.252 -17.102 1.00 0.00 C ATOM 515 CD1 LEU A 34 1.102 -2.396 -16.457 1.00 0.00 C ATOM 516 CD2 LEU A 34 2.655 -0.794 -17.562 1.00 0.00 C ATOM 0 H LEU A 34 4.922 -4.684 -16.421 1.00 0.00 H new ATOM 0 HA LEU A 34 4.889 -2.191 -17.712 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.353 -3.725 -15.791 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.512 -2.077 -15.216 1.00 0.00 H new ATOM 0 HG LEU A 34 2.586 -2.889 -17.980 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.336 -2.076 -17.163 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.934 -3.438 -16.186 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.052 -1.776 -15.562 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.862 -0.539 -18.265 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.601 -0.131 -16.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.623 -0.677 -18.049 1.00 0.00 H new ATOM 528 N MET A 35 6.565 -2.274 -14.934 1.00 0.00 N ATOM 529 CA MET A 35 7.519 -1.543 -14.115 1.00 0.00 C ATOM 530 C MET A 35 8.727 -1.103 -14.949 1.00 0.00 C ATOM 531 O MET A 35 9.363 -0.103 -14.638 1.00 0.00 O ATOM 532 CB MET A 35 7.918 -2.403 -12.900 1.00 0.00 C ATOM 533 CG MET A 35 8.062 -1.599 -11.604 1.00 0.00 C ATOM 534 SD MET A 35 9.539 -0.531 -11.442 1.00 0.00 S ATOM 535 CE MET A 35 9.275 0.130 -9.804 1.00 0.00 C ATOM 0 H MET A 35 6.483 -3.261 -14.689 1.00 0.00 H new ATOM 0 HA MET A 35 7.057 -0.630 -13.739 1.00 0.00 H new ATOM 0 HB2 MET A 35 7.169 -3.181 -12.754 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.862 -2.905 -13.114 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.178 -0.971 -11.496 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.059 -2.300 -10.769 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.091 0.805 -9.548 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.332 0.676 -9.779 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.241 -0.687 -9.083 1.00 0.00 H new ATOM 545 N VAL A 36 9.042 -1.831 -16.023 1.00 0.00 N ATOM 546 CA VAL A 36 10.125 -1.485 -16.930 1.00 0.00 C ATOM 547 C VAL A 36 9.614 -0.534 -18.016 1.00 0.00 C ATOM 548 O VAL A 36 10.331 0.348 -18.477 1.00 0.00 O ATOM 549 CB VAL A 36 10.747 -2.756 -17.518 1.00 0.00 C ATOM 550 CG1 VAL A 36 12.026 -2.437 -18.303 1.00 0.00 C ATOM 551 CG2 VAL A 36 11.081 -3.778 -16.421 1.00 0.00 C ATOM 0 H VAL A 36 8.545 -2.683 -16.285 1.00 0.00 H new ATOM 0 HA VAL A 36 10.910 -0.964 -16.382 1.00 0.00 H new ATOM 0 HB VAL A 36 10.005 -3.184 -18.192 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.444 -3.359 -18.708 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.791 -1.756 -19.121 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.753 -1.970 -17.639 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.520 -4.667 -16.874 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.790 -3.340 -15.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.169 -4.054 -15.891 1.00 0.00 H new ATOM 561 N GLY A 37 8.362 -0.723 -18.434 1.00 0.00 N ATOM 562 CA GLY A 37 7.761 0.023 -19.525 1.00 0.00 C ATOM 563 C GLY A 37 7.344 1.416 -19.064 1.00 0.00 C ATOM 564 O GLY A 37 7.647 2.412 -19.713 1.00 0.00 O ATOM 0 H GLY A 37 7.734 -1.409 -18.015 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.470 0.105 -20.349 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.892 -0.515 -19.904 1.00 0.00 H new ATOM 568 N GLY A 38 6.626 1.483 -17.943 1.00 0.00 N ATOM 569 CA GLY A 38 5.971 2.689 -17.468 1.00 0.00 C ATOM 570 C GLY A 38 6.952 3.665 -16.828 1.00 0.00 C ATOM 571 O GLY A 38 6.710 4.870 -16.841 1.00 0.00 O ATOM 0 H GLY A 38 6.484 0.680 -17.331 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.466 3.178 -18.301 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.203 2.421 -16.743 1.00 0.00 H new ATOM 575 N VAL A 39 8.069 3.157 -16.291 1.00 0.00 N ATOM 576 CA VAL A 39 9.039 3.980 -15.566 1.00 0.00 C ATOM 577 C VAL A 39 9.698 5.009 -16.493 1.00 0.00 C ATOM 578 O VAL A 39 10.356 5.939 -16.036 1.00 0.00 O ATOM 579 CB VAL A 39 10.049 3.085 -14.824 1.00 0.00 C ATOM 580 CG1 VAL A 39 11.032 2.406 -15.783 1.00 0.00 C ATOM 581 CG2 VAL A 39 10.826 3.842 -13.740 1.00 0.00 C ATOM 0 H VAL A 39 8.322 2.171 -16.347 1.00 0.00 H new ATOM 0 HA VAL A 39 8.518 4.562 -14.805 1.00 0.00 H new ATOM 0 HB VAL A 39 9.450 2.316 -14.336 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.725 1.785 -15.215 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.481 1.783 -16.488 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.590 3.166 -16.330 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.523 3.162 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.380 4.663 -14.195 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.128 4.240 -13.003 1.00 0.00 H new ATOM 591 N VAL A 40 9.509 4.849 -17.807 1.00 0.00 N ATOM 592 CA VAL A 40 9.849 5.855 -18.787 1.00 0.00 C ATOM 593 C VAL A 40 9.237 7.219 -18.423 1.00 0.00 C ATOM 594 O VAL A 40 9.858 8.250 -18.673 1.00 0.00 O ATOM 595 CB VAL A 40 9.472 5.368 -20.198 1.00 0.00 C ATOM 596 CG1 VAL A 40 7.959 5.357 -20.445 1.00 0.00 C ATOM 597 CG2 VAL A 40 10.146 6.223 -21.278 1.00 0.00 C ATOM 0 H VAL A 40 9.110 4.002 -18.213 1.00 0.00 H new ATOM 0 HA VAL A 40 10.928 6.010 -18.785 1.00 0.00 H new ATOM 0 HB VAL A 40 9.831 4.340 -20.259 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.758 5.004 -21.457 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.478 4.693 -19.727 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.564 6.366 -20.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.861 5.855 -22.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.828 7.260 -21.172 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.229 6.162 -21.167 1.00 0.00 H new ATOM 607 N ILE A 41 8.030 7.233 -17.834 1.00 0.00 N ATOM 608 CA ILE A 41 7.411 8.431 -17.282 1.00 0.00 C ATOM 609 C ILE A 41 7.569 8.389 -15.758 1.00 0.00 C ATOM 610 O ILE A 41 7.879 7.351 -15.177 1.00 0.00 O ATOM 611 CB ILE A 41 5.929 8.520 -17.685 1.00 0.00 C ATOM 612 CG1 ILE A 41 5.628 8.045 -19.119 1.00 0.00 C ATOM 613 CG2 ILE A 41 5.332 9.924 -17.489 1.00 0.00 C ATOM 614 CD1 ILE A 41 6.346 8.864 -20.198 1.00 0.00 C ATOM 0 H ILE A 41 7.456 6.397 -17.731 1.00 0.00 H new ATOM 0 HA ILE A 41 7.900 9.320 -17.679 1.00 0.00 H new ATOM 0 HB ILE A 41 5.447 7.826 -16.997 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.918 6.999 -19.215 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.553 8.095 -19.292 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.285 9.920 -17.791 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.405 10.207 -16.439 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.882 10.642 -18.098 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.088 8.474 -21.183 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.037 9.907 -20.129 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.424 8.794 -20.051 1.00 0.00 H new ATOM 626 N ALA A 42 7.317 9.526 -15.108 1.00 0.00 N ATOM 627 CA ALA A 42 7.458 9.707 -13.668 1.00 0.00 C ATOM 628 C ALA A 42 8.853 9.284 -13.187 1.00 0.00 C ATOM 629 O ALA A 42 8.924 8.544 -12.181 1.00 0.00 O ATOM 630 CB ALA A 42 6.319 8.989 -12.930 1.00 0.00 C ATOM 631 OXT ALA A 42 9.827 9.743 -13.822 1.00 0.00 O ATOM 0 H ALA A 42 7.000 10.370 -15.586 1.00 0.00 H new ATOM 0 HA ALA A 42 7.372 10.768 -13.431 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.435 9.131 -11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.362 9.401 -13.249 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.350 7.924 -13.160 1.00 0.00 H new TER 637 ALA A 42