USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -2.51! C(o=-4.6!,f=-2.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 31 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.473 0.504 0.049 1.00 5.40 N ATOM 2 CA GLY A 1 2.218 0.502 -1.197 1.00 12.43 C ATOM 3 C GLY A 1 2.965 -0.797 -1.423 1.00 43.45 C ATOM 4 O GLY A 1 3.944 -1.086 -0.735 1.00 11.13 O ATOM 0 H1 GLY A 1 0.980 1.413 0.157 1.00 5.40 H new ATOM 0 H2 GLY A 1 0.777 -0.268 0.038 1.00 5.40 H new ATOM 0 H3 GLY A 1 2.128 0.368 0.845 1.00 5.40 H new ATOM 0 HA2 GLY A 1 1.532 0.673 -2.027 1.00 12.43 H new ATOM 0 HA3 GLY A 1 2.927 1.330 -1.194 1.00 12.43 H new ATOM 10 N ASP A 2 2.503 -1.582 -2.390 1.00 63.10 N ATOM 11 CA ASP A 2 3.135 -2.858 -2.706 1.00 1.10 C ATOM 12 C ASP A 2 3.189 -3.079 -4.214 1.00 43.45 C ATOM 13 O ASP A 2 4.260 -3.039 -4.819 1.00 5.44 O ATOM 14 CB ASP A 2 2.378 -4.006 -2.037 1.00 13.11 C ATOM 15 CG ASP A 2 2.922 -5.365 -2.430 1.00 21.34 C ATOM 16 OD1 ASP A 2 2.632 -5.818 -3.557 1.00 40.10 O ATOM 17 OD2 ASP A 2 3.639 -5.976 -1.610 1.00 20.11 O1- ATOM 0 H ASP A 2 1.693 -1.357 -2.968 1.00 63.10 H new ATOM 0 HA ASP A 2 4.155 -2.834 -2.324 1.00 1.10 H new ATOM 0 HB2 ASP A 2 2.437 -3.894 -0.954 1.00 13.11 H new ATOM 0 HB3 ASP A 2 1.324 -3.948 -2.307 1.00 13.11 H new ATOM 22 N GLU A 3 2.027 -3.313 -4.815 1.00 53.54 N ATOM 23 CA GLU A 3 1.943 -3.542 -6.253 1.00 43.10 C ATOM 24 C GLU A 3 2.085 -2.232 -7.022 1.00 52.42 C ATOM 25 O GLU A 3 2.460 -2.225 -8.195 1.00 34.32 O ATOM 26 CB GLU A 3 0.615 -4.214 -6.608 1.00 43.25 C ATOM 27 CG GLU A 3 0.355 -5.495 -5.835 1.00 22.33 C ATOM 28 CD GLU A 3 -1.020 -6.073 -6.108 1.00 63.23 C ATOM 29 OE1 GLU A 3 -2.020 -5.371 -5.850 1.00 42.12 O ATOM 30 OE2 GLU A 3 -1.096 -7.227 -6.580 1.00 10.21 O1- ATOM 0 H GLU A 3 1.131 -3.349 -4.329 1.00 53.54 H new ATOM 0 HA GLU A 3 2.763 -4.201 -6.539 1.00 43.10 H new ATOM 0 HB2 GLU A 3 -0.199 -3.514 -6.419 1.00 43.25 H new ATOM 0 HB3 GLU A 3 0.603 -4.435 -7.675 1.00 43.25 H new ATOM 0 HG2 GLU A 3 1.113 -6.233 -6.096 1.00 22.33 H new ATOM 0 HG3 GLU A 3 0.457 -5.298 -4.768 1.00 22.33 H new ATOM 37 N ARG A 4 1.782 -1.124 -6.353 1.00 54.12 N ATOM 38 CA ARG A 4 1.874 0.192 -6.973 1.00 43.40 C ATOM 39 C ARG A 4 3.118 0.934 -6.492 1.00 22.42 C ATOM 40 O ARG A 4 3.363 2.076 -6.881 1.00 72.44 O ATOM 41 CB ARG A 4 0.624 1.016 -6.660 1.00 12.21 C ATOM 42 CG ARG A 4 -0.653 0.430 -7.240 1.00 62.04 C ATOM 43 CD ARG A 4 -1.885 1.152 -6.718 1.00 51.14 C ATOM 44 NE ARG A 4 -2.282 0.672 -5.397 1.00 51.25 N ATOM 45 CZ ARG A 4 -3.436 0.985 -4.818 1.00 4.51 C ATOM 46 NH1 ARG A 4 -4.301 1.774 -5.440 1.00 32.02 N1+ ATOM 47 NH2 ARG A 4 -3.725 0.509 -3.614 1.00 13.33 N ATOM 0 H ARG A 4 1.471 -1.112 -5.382 1.00 54.12 H new ATOM 0 HA ARG A 4 1.949 0.053 -8.051 1.00 43.40 H new ATOM 0 HB2 ARG A 4 0.516 1.101 -5.579 1.00 12.21 H new ATOM 0 HB3 ARG A 4 0.759 2.026 -7.047 1.00 12.21 H new ATOM 0 HG2 ARG A 4 -0.624 0.497 -8.328 1.00 62.04 H new ATOM 0 HG3 ARG A 4 -0.716 -0.629 -6.988 1.00 62.04 H new ATOM 0 HD2 ARG A 4 -1.685 2.222 -6.670 1.00 51.14 H new ATOM 0 HD3 ARG A 4 -2.710 1.013 -7.417 1.00 51.14 H new ATOM 0 HE ARG A 4 -1.638 0.063 -4.891 1.00 51.25 H new ATOM 0 HH11 ARG A 4 -4.081 2.142 -6.365 1.00 32.02 H new ATOM 0 HH12 ARG A 4 -5.186 2.013 -4.993 1.00 32.02 H new ATOM 0 HH21 ARG A 4 -3.061 -0.097 -3.133 1.00 13.33 H new ATOM 0 HH22 ARG A 4 -4.611 0.750 -3.170 1.00 13.33 H new ATOM 61 N PHE A 5 3.901 0.276 -5.642 1.00 52.24 N ATOM 62 CA PHE A 5 5.119 0.873 -5.107 1.00 61.42 C ATOM 63 C PHE A 5 6.344 0.050 -5.497 1.00 11.31 C ATOM 64 O PHE A 5 7.456 0.573 -5.578 1.00 71.20 O ATOM 65 CB PHE A 5 5.030 0.986 -3.584 1.00 23.52 C ATOM 66 CG PHE A 5 4.387 2.259 -3.114 1.00 31.34 C ATOM 67 CD1 PHE A 5 3.123 2.616 -3.556 1.00 5.44 C ATOM 68 CD2 PHE A 5 5.046 3.098 -2.230 1.00 11.02 C ATOM 69 CE1 PHE A 5 2.528 3.787 -3.125 1.00 4.14 C ATOM 70 CE2 PHE A 5 4.456 4.270 -1.795 1.00 33.41 C ATOM 71 CZ PHE A 5 3.196 4.615 -2.244 1.00 10.32 C ATOM 0 H PHE A 5 3.713 -0.670 -5.310 1.00 52.24 H new ATOM 0 HA PHE A 5 5.223 1.871 -5.533 1.00 61.42 H new ATOM 0 HB2 PHE A 5 4.464 0.138 -3.197 1.00 23.52 H new ATOM 0 HB3 PHE A 5 6.033 0.918 -3.163 1.00 23.52 H new ATOM 0 HD1 PHE A 5 2.597 1.972 -4.245 1.00 5.44 H new ATOM 0 HD2 PHE A 5 6.032 2.833 -1.877 1.00 11.02 H new ATOM 0 HE1 PHE A 5 1.542 4.054 -3.477 1.00 4.14 H new ATOM 0 HE2 PHE A 5 4.979 4.915 -1.105 1.00 33.41 H new ATOM 0 HZ PHE A 5 2.734 5.531 -1.907 1.00 10.32 H new ATOM 81 N TYR A 6 6.131 -1.239 -5.736 1.00 45.24 N ATOM 82 CA TYR A 6 7.218 -2.135 -6.114 1.00 32.22 C ATOM 83 C TYR A 6 7.262 -2.331 -7.626 1.00 41.02 C ATOM 84 O TYR A 6 8.274 -2.762 -8.178 1.00 71.21 O ATOM 85 CB TYR A 6 7.056 -3.488 -5.418 1.00 1.31 C ATOM 86 CG TYR A 6 6.992 -3.389 -3.910 1.00 60.24 C ATOM 87 CD1 TYR A 6 7.622 -2.351 -3.235 1.00 55.53 C ATOM 88 CD2 TYR A 6 6.303 -4.335 -3.161 1.00 42.12 C ATOM 89 CE1 TYR A 6 7.566 -2.257 -1.858 1.00 44.31 C ATOM 90 CE2 TYR A 6 6.242 -4.248 -1.784 1.00 35.21 C ATOM 91 CZ TYR A 6 6.875 -3.208 -1.137 1.00 12.50 C ATOM 92 OH TYR A 6 6.817 -3.118 0.235 1.00 71.40 O ATOM 0 H TYR A 6 5.217 -1.687 -5.675 1.00 45.24 H new ATOM 0 HA TYR A 6 8.157 -1.680 -5.798 1.00 32.22 H new ATOM 0 HB2 TYR A 6 6.147 -3.968 -5.781 1.00 1.31 H new ATOM 0 HB3 TYR A 6 7.890 -4.133 -5.696 1.00 1.31 H new ATOM 0 HD1 TYR A 6 8.165 -1.605 -3.796 1.00 55.53 H new ATOM 0 HD2 TYR A 6 5.807 -5.152 -3.664 1.00 42.12 H new ATOM 0 HE1 TYR A 6 8.061 -1.443 -1.349 1.00 44.31 H new ATOM 0 HE2 TYR A 6 5.701 -4.991 -1.217 1.00 35.21 H new ATOM 0 HH TYR A 6 6.291 -3.865 0.590 1.00 71.40 H new ATOM 102 N ALA A 7 6.157 -2.010 -8.290 1.00 53.24 N ATOM 103 CA ALA A 7 6.069 -2.148 -9.739 1.00 15.52 C ATOM 104 C ALA A 7 5.833 -0.796 -10.405 1.00 64.44 C ATOM 105 O ALA A 7 6.151 -0.610 -11.579 1.00 62.24 O ATOM 106 CB ALA A 7 4.960 -3.121 -10.110 1.00 31.42 C ATOM 0 H ALA A 7 5.310 -1.653 -7.848 1.00 53.24 H new ATOM 0 HA ALA A 7 7.019 -2.542 -10.100 1.00 15.52 H new ATOM 0 HB1 ALA A 7 4.906 -3.214 -11.195 1.00 31.42 H new ATOM 0 HB2 ALA A 7 5.170 -4.097 -9.672 1.00 31.42 H new ATOM 0 HB3 ALA A 7 4.008 -2.750 -9.730 1.00 31.42 H new ATOM 112 N GLU A 8 5.274 0.143 -9.648 1.00 61.45 N ATOM 113 CA GLU A 8 4.994 1.476 -10.169 1.00 24.24 C ATOM 114 C GLU A 8 6.024 2.483 -9.664 1.00 54.55 C ATOM 115 O GLU A 8 6.074 3.622 -10.131 1.00 4.01 O ATOM 116 CB GLU A 8 3.588 1.921 -9.763 1.00 73.20 C ATOM 117 CG GLU A 8 2.603 1.956 -10.920 1.00 3.30 C ATOM 118 CD GLU A 8 1.956 0.609 -11.177 1.00 10.24 C ATOM 119 OE1 GLU A 8 0.838 0.382 -10.667 1.00 43.24 O ATOM 120 OE2 GLU A 8 2.566 -0.218 -11.886 1.00 4.42 O1- ATOM 0 H GLU A 8 5.006 0.006 -8.673 1.00 61.45 H new ATOM 0 HA GLU A 8 5.054 1.434 -11.257 1.00 24.24 H new ATOM 0 HB2 GLU A 8 3.210 1.246 -8.995 1.00 73.20 H new ATOM 0 HB3 GLU A 8 3.645 2.913 -9.315 1.00 73.20 H new ATOM 0 HG2 GLU A 8 1.828 2.693 -10.710 1.00 3.30 H new ATOM 0 HG3 GLU A 8 3.119 2.285 -11.822 1.00 3.30 H new ATOM 127 N HIS A 9 6.842 2.056 -8.708 1.00 42.32 N ATOM 128 CA HIS A 9 7.870 2.921 -8.140 1.00 24.44 C ATOM 129 C HIS A 9 9.235 2.240 -8.180 1.00 3.22 C ATOM 130 O HIS A 9 10.179 2.679 -7.521 1.00 42.23 O ATOM 131 CB HIS A 9 7.515 3.292 -6.700 1.00 0.24 C ATOM 132 CG HIS A 9 7.709 4.745 -6.391 1.00 21.24 C ATOM 133 ND1 HIS A 9 8.896 5.261 -5.916 1.00 3.12 N ATOM 134 CD2 HIS A 9 6.859 5.793 -6.493 1.00 33.14 C ATOM 135 CE1 HIS A 9 8.767 6.564 -5.738 1.00 22.35 C ATOM 136 NE2 HIS A 9 7.540 6.912 -6.081 1.00 22.32 N ATOM 0 H HIS A 9 6.813 1.117 -8.310 1.00 42.32 H new ATOM 0 HA HIS A 9 7.918 3.830 -8.740 1.00 24.44 H new ATOM 0 HB2 HIS A 9 6.476 3.024 -6.510 1.00 0.24 H new ATOM 0 HB3 HIS A 9 8.126 2.699 -6.019 1.00 0.24 H new ATOM 0 HD2 HIS A 9 5.835 5.756 -6.835 1.00 33.14 H new ATOM 0 HE1 HIS A 9 9.534 7.231 -5.374 1.00 22.35 H new ATOM 0 HE2 HIS A 9 7.160 7.858 -6.046 1.00 22.32 H new ATOM 144 N LEU A 10 9.333 1.166 -8.955 1.00 52.14 N ATOM 145 CA LEU A 10 10.582 0.424 -9.081 1.00 23.44 C ATOM 146 C LEU A 10 10.924 0.176 -10.546 1.00 72.44 C ATOM 147 O LEU A 10 12.073 0.328 -10.960 1.00 54.15 O ATOM 148 CB LEU A 10 10.484 -0.909 -8.336 1.00 15.33 C ATOM 149 CG LEU A 10 11.694 -1.293 -7.485 1.00 25.41 C ATOM 150 CD1 LEU A 10 11.464 -2.634 -6.804 1.00 44.31 C ATOM 151 CD2 LEU A 10 12.954 -1.336 -8.338 1.00 51.40 C ATOM 0 H LEU A 10 8.562 0.789 -9.506 1.00 52.14 H new ATOM 0 HA LEU A 10 11.377 1.024 -8.638 1.00 23.44 H new ATOM 0 HB2 LEU A 10 9.606 -0.878 -7.690 1.00 15.33 H new ATOM 0 HB3 LEU A 10 10.314 -1.699 -9.067 1.00 15.33 H new ATOM 0 HG LEU A 10 11.827 -0.534 -6.714 1.00 25.41 H new ATOM 0 HD11 LEU A 10 12.336 -2.891 -6.203 1.00 44.31 H new ATOM 0 HD12 LEU A 10 10.586 -2.570 -6.161 1.00 44.31 H new ATOM 0 HD13 LEU A 10 11.305 -3.403 -7.560 1.00 44.31 H new ATOM 0 HD21 LEU A 10 13.806 -1.611 -7.716 1.00 51.40 H new ATOM 0 HD22 LEU A 10 12.831 -2.073 -9.131 1.00 51.40 H new ATOM 0 HD23 LEU A 10 13.129 -0.354 -8.779 1.00 51.40 H new ATOM 163 N MET A 11 9.918 -0.205 -11.327 1.00 33.43 N ATOM 164 CA MET A 11 10.111 -0.472 -12.747 1.00 45.44 C ATOM 165 C MET A 11 10.413 0.817 -13.506 1.00 15.11 C ATOM 166 O MET A 11 11.466 0.970 -14.124 1.00 4.33 O ATOM 167 CB MET A 11 8.870 -1.145 -13.336 1.00 24.52 C ATOM 168 CG MET A 11 9.141 -2.530 -13.901 1.00 21.42 C ATOM 169 SD MET A 11 9.165 -3.807 -12.628 1.00 33.40 S ATOM 170 CE MET A 11 8.743 -5.256 -13.594 1.00 14.34 C ATOM 0 H MET A 11 8.961 -0.336 -11.000 1.00 33.43 H new ATOM 0 HA MET A 11 10.963 -1.144 -12.852 1.00 45.44 H new ATOM 0 HB2 MET A 11 8.106 -1.220 -12.563 1.00 24.52 H new ATOM 0 HB3 MET A 11 8.464 -0.513 -14.125 1.00 24.52 H new ATOM 0 HG2 MET A 11 8.377 -2.773 -14.639 1.00 21.42 H new ATOM 0 HG3 MET A 11 10.098 -2.524 -14.423 1.00 21.42 H new ATOM 0 HE1 MET A 11 8.718 -6.131 -12.945 1.00 14.34 H new ATOM 0 HE2 MET A 11 7.764 -5.115 -14.052 1.00 14.34 H new ATOM 0 HE3 MET A 11 9.490 -5.404 -14.374 1.00 14.34 H new ATOM 180 N PRO A 12 9.466 1.767 -13.460 1.00 63.31 N ATOM 181 CA PRO A 12 9.608 3.059 -14.138 1.00 22.14 C ATOM 182 C PRO A 12 10.665 3.943 -13.485 1.00 23.24 C ATOM 183 O PRO A 12 11.015 5.001 -14.008 1.00 42.13 O ATOM 184 CB PRO A 12 8.221 3.689 -13.993 1.00 52.24 C ATOM 185 CG PRO A 12 7.640 3.053 -12.778 1.00 2.23 C ATOM 186 CD PRO A 12 8.185 1.652 -12.743 1.00 4.21 C ATOM 0 HA PRO A 12 9.933 2.943 -15.172 1.00 22.14 H new ATOM 0 HB2 PRO A 12 8.288 4.771 -13.880 1.00 52.24 H new ATOM 0 HB3 PRO A 12 7.606 3.498 -14.872 1.00 52.24 H new ATOM 0 HG2 PRO A 12 7.918 3.603 -11.879 1.00 2.23 H new ATOM 0 HG3 PRO A 12 6.551 3.047 -12.824 1.00 2.23 H new ATOM 0 HD2 PRO A 12 8.327 1.301 -11.721 1.00 4.21 H new ATOM 0 HD3 PRO A 12 7.513 0.947 -13.232 1.00 4.21 H new ATOM 194 N THR A 13 11.172 3.502 -12.337 1.00 41.31 N ATOM 195 CA THR A 13 12.189 4.253 -11.613 1.00 3.45 C ATOM 196 C THR A 13 13.581 3.688 -11.874 1.00 33.03 C ATOM 197 O THR A 13 14.505 4.423 -12.225 1.00 73.34 O ATOM 198 CB THR A 13 11.920 4.244 -10.096 1.00 4.42 C ATOM 199 OG1 THR A 13 10.742 5.004 -9.803 1.00 23.23 O ATOM 200 CG2 THR A 13 13.104 4.820 -9.333 1.00 11.20 C ATOM 0 H THR A 13 10.894 2.628 -11.890 1.00 41.31 H new ATOM 0 HA THR A 13 12.143 5.279 -11.977 1.00 3.45 H new ATOM 0 HB THR A 13 11.773 3.211 -9.781 1.00 4.42 H new ATOM 0 HG1 THR A 13 10.577 4.992 -8.837 1.00 23.23 H new ATOM 0 HG21 THR A 13 12.891 4.803 -8.264 1.00 11.20 H new ATOM 0 HG22 THR A 13 13.993 4.222 -9.535 1.00 11.20 H new ATOM 0 HG23 THR A 13 13.278 5.848 -9.652 1.00 11.20 H new ATOM 208 N LEU A 14 13.724 2.379 -11.701 1.00 21.24 N ATOM 209 CA LEU A 14 15.004 1.714 -11.920 1.00 32.41 C ATOM 210 C LEU A 14 15.220 1.424 -13.402 1.00 21.03 C ATOM 211 O LEU A 14 16.356 1.305 -13.861 1.00 33.23 O ATOM 212 CB LEU A 14 15.068 0.412 -11.119 1.00 61.33 C ATOM 213 CG LEU A 14 16.380 -0.369 -11.212 1.00 13.14 C ATOM 214 CD1 LEU A 14 16.943 -0.633 -9.824 1.00 14.23 C ATOM 215 CD2 LEU A 14 16.171 -1.676 -11.962 1.00 34.22 C ATOM 0 H LEU A 14 12.970 1.757 -11.410 1.00 21.24 H new ATOM 0 HA LEU A 14 15.796 2.382 -11.580 1.00 32.41 H new ATOM 0 HB2 LEU A 14 14.880 0.644 -10.071 1.00 61.33 H new ATOM 0 HB3 LEU A 14 14.258 -0.237 -11.452 1.00 61.33 H new ATOM 0 HG LEU A 14 17.100 0.233 -11.766 1.00 13.14 H new ATOM 0 HD11 LEU A 14 17.876 -1.190 -9.910 1.00 14.23 H new ATOM 0 HD12 LEU A 14 17.131 0.316 -9.321 1.00 14.23 H new ATOM 0 HD13 LEU A 14 16.226 -1.215 -9.245 1.00 14.23 H new ATOM 0 HD21 LEU A 14 17.115 -2.218 -12.018 1.00 34.22 H new ATOM 0 HD22 LEU A 14 15.434 -2.284 -11.436 1.00 34.22 H new ATOM 0 HD23 LEU A 14 15.814 -1.464 -12.970 1.00 34.22 H new ATOM 227 N GLN A 15 14.123 1.314 -14.144 1.00 42.22 N ATOM 228 CA GLN A 15 14.194 1.040 -15.575 1.00 12.44 C ATOM 229 C GLN A 15 13.346 2.034 -16.362 1.00 11.44 C ATOM 230 O GLN A 15 12.624 1.657 -17.283 1.00 72.42 O ATOM 231 CB GLN A 15 13.729 -0.387 -15.866 1.00 34.44 C ATOM 232 CG GLN A 15 14.653 -1.455 -15.303 1.00 42.01 C ATOM 233 CD GLN A 15 13.992 -2.290 -14.224 1.00 4.31 C ATOM 234 OE1 GLN A 15 13.318 -1.626 -13.292 1.00 62.41 O flip ATOM 235 NE2 GLN A 15 14.087 -3.517 -14.227 1.00 74.42 N flip ATOM 0 H GLN A 15 13.175 1.410 -13.779 1.00 42.22 H new ATOM 0 HA GLN A 15 15.232 1.147 -15.889 1.00 12.44 H new ATOM 0 HB2 GLN A 15 12.731 -0.527 -15.451 1.00 34.44 H new ATOM 0 HB3 GLN A 15 13.647 -0.521 -16.945 1.00 34.44 H new ATOM 0 HG2 GLN A 15 14.982 -2.108 -16.111 1.00 42.01 H new ATOM 0 HG3 GLN A 15 15.545 -0.980 -14.894 1.00 42.01 H new ATOM 0 HE21 GLN A 15 14.615 -3.986 -14.963 1.00 74.42 H new ATOM 0 HE22 GLN A 15 13.638 -4.065 -13.493 1.00 74.42 H new ATOM 244 N GLY A 16 13.439 3.308 -15.991 1.00 33.02 N ATOM 245 CA GLY A 16 12.673 4.336 -16.671 1.00 2.20 C ATOM 246 C GLY A 16 13.191 5.731 -16.381 1.00 54.24 C ATOM 247 O GLY A 16 13.164 6.604 -17.250 1.00 44.12 O ATOM 0 H GLY A 16 14.031 3.646 -15.232 1.00 33.02 H new ATOM 0 HA2 GLY A 16 12.703 4.156 -17.746 1.00 2.20 H new ATOM 0 HA3 GLY A 16 11.629 4.269 -16.366 1.00 2.20 H new ATOM 251 N LEU A 17 13.661 5.944 -15.157 1.00 72.33 N ATOM 252 CA LEU A 17 14.185 7.244 -14.754 1.00 65.12 C ATOM 253 C LEU A 17 15.645 7.395 -15.171 1.00 1.04 C ATOM 254 O LEU A 17 16.259 8.441 -14.954 1.00 74.01 O ATOM 255 CB LEU A 17 14.054 7.422 -13.241 1.00 30.03 C ATOM 256 CG LEU A 17 13.103 8.525 -12.775 1.00 31.13 C ATOM 257 CD1 LEU A 17 13.496 9.862 -13.384 1.00 24.32 C ATOM 258 CD2 LEU A 17 11.666 8.176 -13.133 1.00 14.12 C ATOM 0 H LEU A 17 13.690 5.233 -14.426 1.00 72.33 H new ATOM 0 HA LEU A 17 13.601 8.015 -15.256 1.00 65.12 H new ATOM 0 HB2 LEU A 17 13.721 6.477 -12.812 1.00 30.03 H new ATOM 0 HB3 LEU A 17 15.044 7.626 -12.832 1.00 30.03 H new ATOM 0 HG LEU A 17 13.177 8.608 -11.691 1.00 31.13 H new ATOM 0 HD11 LEU A 17 12.808 10.634 -13.041 1.00 24.32 H new ATOM 0 HD12 LEU A 17 14.510 10.117 -13.077 1.00 24.32 H new ATOM 0 HD13 LEU A 17 13.452 9.794 -14.471 1.00 24.32 H new ATOM 0 HD21 LEU A 17 11.003 8.972 -12.794 1.00 14.12 H new ATOM 0 HD22 LEU A 17 11.577 8.065 -14.214 1.00 14.12 H new ATOM 0 HD23 LEU A 17 11.387 7.240 -12.648 1.00 14.12 H new ATOM 270 N LEU A 18 16.195 6.345 -15.771 1.00 2.41 N ATOM 271 CA LEU A 18 17.583 6.362 -16.220 1.00 71.54 C ATOM 272 C LEU A 18 17.813 5.324 -17.315 1.00 11.31 C ATOM 273 O LEU A 18 18.934 4.858 -17.516 1.00 63.30 O ATOM 274 CB LEU A 18 18.524 6.096 -15.044 1.00 72.50 C ATOM 275 CG LEU A 18 17.926 5.322 -13.868 1.00 63.33 C ATOM 276 CD1 LEU A 18 17.509 3.926 -14.305 1.00 24.22 C ATOM 277 CD2 LEU A 18 18.920 5.248 -12.718 1.00 52.30 C ATOM 0 H LEU A 18 15.702 5.472 -15.958 1.00 2.41 H new ATOM 0 HA LEU A 18 17.795 7.350 -16.630 1.00 71.54 H new ATOM 0 HB2 LEU A 18 19.389 5.545 -15.414 1.00 72.50 H new ATOM 0 HB3 LEU A 18 18.891 7.054 -14.674 1.00 72.50 H new ATOM 0 HG LEU A 18 17.039 5.852 -13.522 1.00 63.33 H new ATOM 0 HD11 LEU A 18 17.086 3.390 -13.455 1.00 24.22 H new ATOM 0 HD12 LEU A 18 16.762 4.000 -15.096 1.00 24.22 H new ATOM 0 HD13 LEU A 18 18.380 3.386 -14.677 1.00 24.22 H new ATOM 0 HD21 LEU A 18 18.478 4.694 -11.890 1.00 52.30 H new ATOM 0 HD22 LEU A 18 19.825 4.741 -13.052 1.00 52.30 H new ATOM 0 HD23 LEU A 18 19.170 6.256 -12.388 1.00 52.30 H new ATOM 289 N ASP A 19 16.745 4.970 -18.020 1.00 73.44 N ATOM 290 CA ASP A 19 16.830 3.991 -19.098 1.00 24.53 C ATOM 291 C ASP A 19 17.341 4.638 -20.381 1.00 43.00 C ATOM 292 O ASP A 19 17.111 5.819 -20.644 1.00 24.41 O ATOM 293 CB ASP A 19 15.463 3.350 -19.344 1.00 3.51 C ATOM 294 CG ASP A 19 15.358 1.962 -18.745 1.00 71.20 C ATOM 295 OD1 ASP A 19 14.432 1.218 -19.131 1.00 31.52 O ATOM 296 OD2 ASP A 19 16.202 1.619 -17.891 1.00 71.22 O1- ATOM 0 H ASP A 19 15.810 5.346 -17.865 1.00 73.44 H new ATOM 0 HA ASP A 19 17.536 3.217 -18.797 1.00 24.53 H new ATOM 0 HB2 ASP A 19 14.686 3.985 -18.920 1.00 3.51 H new ATOM 0 HB3 ASP A 19 15.279 3.294 -20.417 1.00 3.51 H new ATOM 301 N PRO A 20 18.052 3.849 -21.200 1.00 25.21 N ATOM 302 CA PRO A 20 18.611 4.324 -22.469 1.00 64.00 C ATOM 303 C PRO A 20 17.532 4.599 -23.511 1.00 25.30 C ATOM 304 O PRO A 20 17.818 5.110 -24.593 1.00 4.10 O ATOM 305 CB PRO A 20 19.506 3.166 -22.918 1.00 61.02 C ATOM 306 CG PRO A 20 18.922 1.961 -22.265 1.00 64.00 C ATOM 307 CD PRO A 20 18.365 2.432 -20.950 1.00 61.31 C ATOM 0 HA PRO A 20 19.141 5.270 -22.353 1.00 64.00 H new ATOM 0 HB2 PRO A 20 19.509 3.066 -24.003 1.00 61.02 H new ATOM 0 HB3 PRO A 20 20.540 3.322 -22.609 1.00 61.02 H new ATOM 0 HG2 PRO A 20 18.141 1.521 -22.885 1.00 64.00 H new ATOM 0 HG3 PRO A 20 19.680 1.192 -22.115 1.00 64.00 H new ATOM 0 HD2 PRO A 20 17.477 1.868 -20.665 1.00 61.31 H new ATOM 0 HD3 PRO A 20 19.088 2.317 -20.143 1.00 61.31 H new ATOM 315 N GLU A 21 16.292 4.256 -23.177 1.00 23.04 N ATOM 316 CA GLU A 21 15.171 4.468 -24.084 1.00 71.44 C ATOM 317 C GLU A 21 14.067 5.274 -23.407 1.00 32.15 C ATOM 318 O GLU A 21 13.280 5.949 -24.070 1.00 3.50 O ATOM 319 CB GLU A 21 14.615 3.126 -24.566 1.00 24.42 C ATOM 320 CG GLU A 21 14.454 2.101 -23.456 1.00 35.50 C ATOM 321 CD GLU A 21 14.005 0.747 -23.973 1.00 2.24 C ATOM 322 OE1 GLU A 21 13.428 -0.028 -23.181 1.00 50.43 O ATOM 323 OE2 GLU A 21 14.232 0.463 -25.167 1.00 75.12 O1- ATOM 0 H GLU A 21 16.039 3.830 -22.285 1.00 23.04 H new ATOM 0 HA GLU A 21 15.534 5.033 -24.943 1.00 71.44 H new ATOM 0 HB2 GLU A 21 13.647 3.292 -25.039 1.00 24.42 H new ATOM 0 HB3 GLU A 21 15.278 2.721 -25.330 1.00 24.42 H new ATOM 0 HG2 GLU A 21 15.402 1.989 -22.930 1.00 35.50 H new ATOM 0 HG3 GLU A 21 13.728 2.468 -22.730 1.00 35.50 H new ATOM 330 N SER A 22 14.015 5.197 -22.081 1.00 32.24 N ATOM 331 CA SER A 22 13.005 5.915 -21.312 1.00 51.02 C ATOM 332 C SER A 22 13.557 7.239 -20.793 1.00 40.22 C ATOM 333 O SER A 22 12.885 8.269 -20.848 1.00 71.41 O ATOM 334 CB SER A 22 12.519 5.058 -20.141 1.00 44.15 C ATOM 335 OG SER A 22 11.160 4.692 -20.307 1.00 25.14 O ATOM 0 H SER A 22 14.661 4.645 -21.517 1.00 32.24 H new ATOM 0 HA SER A 22 12.164 6.126 -21.972 1.00 51.02 H new ATOM 0 HB2 SER A 22 13.134 4.161 -20.063 1.00 44.15 H new ATOM 0 HB3 SER A 22 12.639 5.609 -19.208 1.00 44.15 H new ATOM 0 HG SER A 22 10.874 4.144 -19.547 1.00 25.14 H new ATOM 341 N ALA A 23 14.786 7.204 -20.289 1.00 63.34 N ATOM 342 CA ALA A 23 15.430 8.400 -19.761 1.00 63.12 C ATOM 343 C ALA A 23 16.073 9.216 -20.878 1.00 24.44 C ATOM 344 O ALA A 23 16.190 10.438 -20.780 1.00 34.45 O ATOM 345 CB ALA A 23 16.469 8.022 -18.715 1.00 51.15 C ATOM 0 H ALA A 23 15.356 6.360 -20.235 1.00 63.34 H new ATOM 0 HA ALA A 23 14.665 9.017 -19.290 1.00 63.12 H new ATOM 0 HB1 ALA A 23 16.942 8.925 -18.329 1.00 51.15 H new ATOM 0 HB2 ALA A 23 15.985 7.488 -17.897 1.00 51.15 H new ATOM 0 HB3 ALA A 23 17.225 7.381 -19.168 1.00 51.15 H new ATOM 351 N HIS A 24 16.491 8.532 -21.939 1.00 14.23 N ATOM 352 CA HIS A 24 17.123 9.194 -23.074 1.00 43.20 C ATOM 353 C HIS A 24 16.102 9.999 -23.872 1.00 72.42 C ATOM 354 O HIS A 24 16.408 11.076 -24.383 1.00 41.10 O ATOM 355 CB HIS A 24 17.799 8.165 -23.980 1.00 23.51 C ATOM 356 CG HIS A 24 17.591 8.423 -25.440 1.00 51.23 C ATOM 357 ND1 HIS A 24 18.456 9.180 -26.202 1.00 24.04 N ATOM 358 CD2 HIS A 24 16.609 8.019 -26.280 1.00 11.13 C ATOM 359 CE1 HIS A 24 18.015 9.232 -27.446 1.00 32.34 C ATOM 360 NE2 HIS A 24 16.895 8.535 -27.520 1.00 23.23 N ATOM 0 H HIS A 24 16.403 7.520 -22.036 1.00 14.23 H new ATOM 0 HA HIS A 24 17.878 9.879 -22.688 1.00 43.20 H new ATOM 0 HB2 HIS A 24 18.869 8.156 -23.770 1.00 23.51 H new ATOM 0 HB3 HIS A 24 17.418 7.173 -23.737 1.00 23.51 H new ATOM 0 HD2 HIS A 24 15.759 7.405 -26.023 1.00 11.13 H new ATOM 0 HE1 HIS A 24 18.489 9.755 -28.263 1.00 32.34 H new ATOM 0 HE2 HIS A 24 16.334 8.402 -28.361 1.00 23.23 H new ATOM 368 N ARG A 25 14.888 9.468 -23.976 1.00 31.43 N ATOM 369 CA ARG A 25 13.822 10.135 -24.714 1.00 3.24 C ATOM 370 C ARG A 25 13.297 11.340 -23.939 1.00 12.12 C ATOM 371 O ARG A 25 13.020 12.392 -24.518 1.00 30.52 O ATOM 372 CB ARG A 25 12.679 9.159 -24.996 1.00 21.33 C ATOM 373 CG ARG A 25 12.070 8.555 -23.741 1.00 24.32 C ATOM 374 CD ARG A 25 10.930 7.606 -24.076 1.00 12.32 C ATOM 375 NE ARG A 25 9.636 8.283 -24.070 1.00 53.15 N ATOM 376 CZ ARG A 25 8.472 7.645 -24.132 1.00 63.01 C ATOM 377 NH1 ARG A 25 8.441 6.321 -24.203 1.00 4.41 N1+ ATOM 378 NH2 ARG A 25 7.337 8.331 -24.122 1.00 55.04 N ATOM 0 H ARG A 25 14.618 8.577 -23.558 1.00 31.43 H new ATOM 0 HA ARG A 25 14.233 10.484 -25.661 1.00 3.24 H new ATOM 0 HB2 ARG A 25 11.900 9.677 -25.555 1.00 21.33 H new ATOM 0 HB3 ARG A 25 13.048 8.356 -25.634 1.00 21.33 H new ATOM 0 HG2 ARG A 25 12.839 8.020 -23.184 1.00 24.32 H new ATOM 0 HG3 ARG A 25 11.703 9.352 -23.094 1.00 24.32 H new ATOM 0 HD2 ARG A 25 11.103 7.163 -25.057 1.00 12.32 H new ATOM 0 HD3 ARG A 25 10.915 6.788 -23.355 1.00 12.32 H new ATOM 0 HE ARG A 25 9.625 9.301 -24.015 1.00 53.15 H new ATOM 0 HH11 ARG A 25 9.312 5.790 -24.210 1.00 4.41 H new ATOM 0 HH12 ARG A 25 7.546 5.834 -24.250 1.00 4.41 H new ATOM 0 HH21 ARG A 25 7.357 9.349 -24.067 1.00 55.04 H new ATOM 0 HH22 ARG A 25 6.444 7.840 -24.170 1.00 55.04 H new ATOM 392 N LEU A 26 13.161 11.180 -22.627 1.00 63.01 N ATOM 393 CA LEU A 26 12.669 12.255 -21.772 1.00 23.31 C ATOM 394 C LEU A 26 13.751 13.304 -21.540 1.00 4.34 C ATOM 395 O LEU A 26 13.458 14.441 -21.172 1.00 1.51 O ATOM 396 CB LEU A 26 12.194 11.690 -20.432 1.00 24.10 C ATOM 397 CG LEU A 26 10.803 12.128 -19.974 1.00 52.23 C ATOM 398 CD1 LEU A 26 10.359 11.319 -18.765 1.00 43.41 C ATOM 399 CD2 LEU A 26 10.790 13.616 -19.657 1.00 11.43 C ATOM 0 H LEU A 26 13.384 10.316 -22.132 1.00 63.01 H new ATOM 0 HA LEU A 26 11.829 12.732 -22.276 1.00 23.31 H new ATOM 0 HB2 LEU A 26 12.208 10.602 -20.494 1.00 24.10 H new ATOM 0 HB3 LEU A 26 12.914 11.975 -19.665 1.00 24.10 H new ATOM 0 HG LEU A 26 10.100 11.944 -20.786 1.00 52.23 H new ATOM 0 HD11 LEU A 26 9.367 11.645 -18.453 1.00 43.41 H new ATOM 0 HD12 LEU A 26 10.328 10.261 -19.026 1.00 43.41 H new ATOM 0 HD13 LEU A 26 11.064 11.470 -17.947 1.00 43.41 H new ATOM 0 HD21 LEU A 26 9.792 13.910 -19.333 1.00 11.43 H new ATOM 0 HD22 LEU A 26 11.506 13.825 -18.862 1.00 11.43 H new ATOM 0 HD23 LEU A 26 11.063 14.180 -20.549 1.00 11.43 H new ATOM 411 N ALA A 27 15.003 12.915 -21.759 1.00 20.13 N ATOM 412 CA ALA A 27 16.129 13.823 -21.577 1.00 55.10 C ATOM 413 C ALA A 27 16.470 14.542 -22.878 1.00 75.30 C ATOM 414 O ALA A 27 16.600 15.766 -22.907 1.00 71.43 O ATOM 415 CB ALA A 27 17.341 13.064 -21.058 1.00 14.24 C ATOM 0 H ALA A 27 15.263 11.977 -22.063 1.00 20.13 H new ATOM 0 HA ALA A 27 15.843 14.574 -20.841 1.00 55.10 H new ATOM 0 HB1 ALA A 27 18.174 13.755 -20.927 1.00 14.24 H new ATOM 0 HB2 ALA A 27 17.099 12.602 -20.101 1.00 14.24 H new ATOM 0 HB3 ALA A 27 17.620 12.291 -21.774 1.00 14.24 H new ATOM 421 N VAL A 28 16.614 13.773 -23.953 1.00 53.20 N ATOM 422 CA VAL A 28 16.941 14.337 -25.257 1.00 61.33 C ATOM 423 C VAL A 28 15.988 15.469 -25.622 1.00 12.34 C ATOM 424 O VAL A 28 16.378 16.437 -26.276 1.00 21.45 O ATOM 425 CB VAL A 28 16.891 13.263 -26.361 1.00 1.41 C ATOM 426 CG1 VAL A 28 15.471 12.750 -26.543 1.00 30.24 C ATOM 427 CG2 VAL A 28 17.438 13.818 -27.668 1.00 34.11 C ATOM 0 H VAL A 28 16.509 12.758 -23.946 1.00 53.20 H new ATOM 0 HA VAL A 28 17.956 14.729 -25.186 1.00 61.33 H new ATOM 0 HB VAL A 28 17.518 12.425 -26.058 1.00 1.41 H new ATOM 0 HG11 VAL A 28 15.455 11.992 -27.327 1.00 30.24 H new ATOM 0 HG12 VAL A 28 15.120 12.313 -25.608 1.00 30.24 H new ATOM 0 HG13 VAL A 28 14.819 13.577 -26.825 1.00 30.24 H new ATOM 0 HG21 VAL A 28 17.395 13.047 -28.437 1.00 34.11 H new ATOM 0 HG22 VAL A 28 16.839 14.674 -27.979 1.00 34.11 H new ATOM 0 HG23 VAL A 28 18.472 14.132 -27.526 1.00 34.11 H new ATOM 437 N ARG A 29 14.736 15.343 -25.193 1.00 60.55 N ATOM 438 CA ARG A 29 13.726 16.355 -25.476 1.00 73.23 C ATOM 439 C ARG A 29 14.034 17.653 -24.735 1.00 60.43 C ATOM 440 O ARG A 29 13.835 18.745 -25.266 1.00 41.35 O ATOM 441 CB ARG A 29 12.338 15.846 -25.080 1.00 25.00 C ATOM 442 CG ARG A 29 12.262 15.339 -23.649 1.00 74.22 C ATOM 443 CD ARG A 29 10.841 14.948 -23.272 1.00 41.32 C ATOM 444 NE ARG A 29 9.958 16.109 -23.189 1.00 61.45 N ATOM 445 CZ ARG A 29 8.804 16.108 -22.533 1.00 15.14 C ATOM 446 NH1 ARG A 29 8.395 15.014 -21.904 1.00 51.43 N1+ ATOM 447 NH2 ARG A 29 8.055 17.204 -22.503 1.00 22.51 N ATOM 0 H ARG A 29 14.397 14.550 -24.648 1.00 60.55 H new ATOM 0 HA ARG A 29 13.740 16.556 -26.547 1.00 73.23 H new ATOM 0 HB2 ARG A 29 11.614 16.650 -25.211 1.00 25.00 H new ATOM 0 HB3 ARG A 29 12.048 15.043 -25.757 1.00 25.00 H new ATOM 0 HG2 ARG A 29 12.921 14.479 -23.531 1.00 74.22 H new ATOM 0 HG3 ARG A 29 12.621 16.111 -22.969 1.00 74.22 H new ATOM 0 HD2 ARG A 29 10.450 14.247 -24.010 1.00 41.32 H new ATOM 0 HD3 ARG A 29 10.850 14.430 -22.313 1.00 41.32 H new ATOM 0 HE ARG A 29 10.244 16.967 -23.661 1.00 61.45 H new ATOM 0 HH11 ARG A 29 8.968 14.170 -21.923 1.00 51.43 H new ATOM 0 HH12 ARG A 29 7.508 15.017 -21.401 1.00 51.43 H new ATOM 0 HH21 ARG A 29 8.366 18.048 -22.984 1.00 22.51 H new ATOM 0 HH22 ARG A 29 7.168 17.202 -21.999 1.00 22.51 H new ATOM 461 N PHE A 30 14.520 17.524 -23.505 1.00 43.43 N ATOM 462 CA PHE A 30 14.855 18.687 -22.691 1.00 22.54 C ATOM 463 C PHE A 30 16.235 19.226 -23.054 1.00 44.23 C ATOM 464 O PHE A 30 16.538 20.397 -22.823 1.00 42.30 O ATOM 465 CB PHE A 30 14.812 18.324 -21.205 1.00 23.22 C ATOM 466 CG PHE A 30 13.470 17.829 -20.747 1.00 1.00 C ATOM 467 CD1 PHE A 30 12.308 18.281 -21.350 1.00 54.50 C ATOM 468 CD2 PHE A 30 13.371 16.912 -19.713 1.00 71.22 C ATOM 469 CE1 PHE A 30 11.071 17.828 -20.931 1.00 72.15 C ATOM 470 CE2 PHE A 30 12.137 16.454 -19.291 1.00 0.43 C ATOM 471 CZ PHE A 30 10.986 16.914 -19.900 1.00 34.13 C ATOM 0 H PHE A 30 14.691 16.627 -23.050 1.00 43.43 H new ATOM 0 HA PHE A 30 14.117 19.464 -22.891 1.00 22.54 H new ATOM 0 HB2 PHE A 30 15.561 17.558 -21.005 1.00 23.22 H new ATOM 0 HB3 PHE A 30 15.087 19.200 -20.617 1.00 23.22 H new ATOM 0 HD1 PHE A 30 12.369 18.996 -22.157 1.00 54.50 H new ATOM 0 HD2 PHE A 30 14.268 16.551 -19.231 1.00 71.22 H new ATOM 0 HE1 PHE A 30 10.172 18.189 -21.410 1.00 72.15 H new ATOM 0 HE2 PHE A 30 12.073 15.737 -18.486 1.00 0.43 H new ATOM 0 HZ PHE A 30 10.021 16.559 -19.570 1.00 34.13 H new ATOM 481 N THR A 31 17.070 18.363 -23.625 1.00 42.21 N ATOM 482 CA THR A 31 18.419 18.751 -24.019 1.00 74.03 C ATOM 483 C THR A 31 18.405 19.535 -25.326 1.00 42.34 C ATOM 484 O THR A 31 19.094 20.546 -25.462 1.00 1.43 O ATOM 485 CB THR A 31 19.332 17.521 -24.181 1.00 41.31 C ATOM 486 OG1 THR A 31 19.151 16.628 -23.077 1.00 21.12 O ATOM 487 CG2 THR A 31 20.792 17.939 -24.268 1.00 2.54 C ATOM 0 H THR A 31 16.836 17.391 -23.825 1.00 42.21 H new ATOM 0 HA THR A 31 18.812 19.384 -23.223 1.00 74.03 H new ATOM 0 HB THR A 31 19.060 17.013 -25.106 1.00 41.31 H new ATOM 0 HG1 THR A 31 18.300 16.153 -23.177 1.00 21.12 H new ATOM 0 HG21 THR A 31 21.418 17.054 -24.382 1.00 2.54 H new ATOM 0 HG22 THR A 31 20.932 18.595 -25.127 1.00 2.54 H new ATOM 0 HG23 THR A 31 21.074 18.468 -23.357 1.00 2.54 H new ATOM 495 N SER A 32 17.616 19.063 -26.286 1.00 43.24 N ATOM 496 CA SER A 32 17.515 19.720 -27.584 1.00 53.13 C ATOM 497 C SER A 32 16.192 20.470 -27.712 1.00 21.24 C ATOM 498 O SER A 32 15.664 20.639 -28.811 1.00 72.45 O ATOM 499 CB SER A 32 17.642 18.693 -28.711 1.00 22.22 C ATOM 500 OG SER A 32 18.533 19.146 -29.715 1.00 62.54 O ATOM 0 H SER A 32 17.038 18.228 -26.189 1.00 43.24 H new ATOM 0 HA SER A 32 18.330 20.439 -27.663 1.00 53.13 H new ATOM 0 HB2 SER A 32 17.997 17.746 -28.306 1.00 22.22 H new ATOM 0 HB3 SER A 32 16.661 18.505 -29.148 1.00 22.22 H new ATOM 0 HG SER A 32 18.598 18.472 -30.423 1.00 62.54 H new ATOM 506 N LEU A 33 15.662 20.918 -26.579 1.00 30.31 N ATOM 507 CA LEU A 33 14.401 21.650 -26.562 1.00 14.44 C ATOM 508 C LEU A 33 14.575 23.049 -27.146 1.00 31.50 C ATOM 509 O LEU A 33 13.600 23.763 -27.375 1.00 73.55 O ATOM 510 CB LEU A 33 13.863 21.746 -25.133 1.00 21.13 C ATOM 511 CG LEU A 33 14.227 23.015 -24.362 1.00 5.21 C ATOM 512 CD1 LEU A 33 13.553 23.024 -22.999 1.00 12.31 C ATOM 513 CD2 LEU A 33 15.737 23.134 -24.213 1.00 22.45 C ATOM 0 H LEU A 33 16.086 20.787 -25.661 1.00 30.31 H new ATOM 0 HA LEU A 33 13.685 21.105 -27.178 1.00 14.44 H new ATOM 0 HB2 LEU A 33 12.777 21.666 -25.169 1.00 21.13 H new ATOM 0 HB3 LEU A 33 14.227 20.886 -24.571 1.00 21.13 H new ATOM 0 HG LEU A 33 13.869 23.875 -24.927 1.00 5.21 H new ATOM 0 HD11 LEU A 33 13.824 23.935 -22.465 1.00 12.31 H new ATOM 0 HD12 LEU A 33 12.471 22.987 -23.128 1.00 12.31 H new ATOM 0 HD13 LEU A 33 13.880 22.157 -22.426 1.00 12.31 H new ATOM 0 HD21 LEU A 33 15.978 24.043 -23.662 1.00 22.45 H new ATOM 0 HD22 LEU A 33 16.118 22.269 -23.671 1.00 22.45 H new ATOM 0 HD23 LEU A 33 16.198 23.175 -25.200 1.00 22.45 H new ATOM 525 N GLY A 34 15.825 23.432 -27.387 1.00 1.45 N ATOM 526 CA GLY A 34 16.104 24.742 -27.945 1.00 44.40 C ATOM 527 C GLY A 34 17.584 25.073 -27.936 1.00 14.33 C ATOM 528 O GLY A 34 18.424 24.185 -27.799 1.00 23.35 O ATOM 0 H GLY A 34 16.649 22.859 -27.206 1.00 1.45 H new ATOM 0 HA2 GLY A 34 15.732 24.784 -28.969 1.00 44.40 H new ATOM 0 HA3 GLY A 34 15.562 25.498 -27.377 1.00 44.40 H new HETATM 532 N NH2 A 35 17.948 26.240 -28.067 1.00 0.00 N TER 535 NH2 A 35