USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 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 MET CE :methyl -144:sc= -0.346 (180deg=0) USER MOD Set 1.2: A 18 TYR OH : rot 30:sc= -0.127 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= -0.12 (180deg=-0.735) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 7 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 90:sc= -0.088 USER MOD Single : A 19 TYR OH : rot -50:sc= 0.662 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.481 K(o=0.48,f=-0.42) USER MOD Single : A 45 HIS : no HD1:sc= -0.852 X(o=-0.85,f=-1) USER MOD Single : A 47 THR OG1 : rot -162:sc= -0.801 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.119 1.400 -9.112 1.00 72.03 N ATOM 2 CA MET A 1 9.566 1.491 -9.270 1.00 33.43 C ATOM 3 C MET A 1 10.240 0.187 -8.854 1.00 5.21 C ATOM 4 O MET A 1 9.965 -0.352 -7.782 1.00 21.11 O ATOM 5 CB MET A 1 10.119 2.652 -8.441 1.00 34.31 C ATOM 6 CG MET A 1 11.634 2.765 -8.488 1.00 73.15 C ATOM 7 SD MET A 1 12.249 3.168 -10.135 1.00 32.22 S ATOM 8 CE MET A 1 13.409 4.478 -9.752 1.00 31.44 C ATOM 0 H1 MET A 1 7.681 2.298 -9.401 1.00 72.03 H new ATOM 0 H2 MET A 1 7.753 0.629 -9.706 1.00 72.03 H new ATOM 0 H3 MET A 1 7.890 1.208 -8.116 1.00 72.03 H new ATOM 0 HA MET A 1 9.782 1.672 -10.323 1.00 33.43 H new ATOM 0 HB2 MET A 1 9.682 3.584 -8.799 1.00 34.31 H new ATOM 0 HB3 MET A 1 9.804 2.530 -7.405 1.00 34.31 H new ATOM 0 HG2 MET A 1 11.959 3.532 -7.785 1.00 73.15 H new ATOM 0 HG3 MET A 1 12.075 1.824 -8.160 1.00 73.15 H new ATOM 0 HE1 MET A 1 13.389 5.225 -10.546 1.00 31.44 H new ATOM 0 HE2 MET A 1 13.131 4.945 -8.807 1.00 31.44 H new ATOM 0 HE3 MET A 1 14.413 4.062 -9.670 1.00 31.44 H new ATOM 18 N LYS A 2 11.125 -0.315 -9.709 1.00 3.43 N ATOM 19 CA LYS A 2 11.841 -1.554 -9.430 1.00 74.35 C ATOM 20 C LYS A 2 13.317 -1.424 -9.792 1.00 13.42 C ATOM 21 O LYS A 2 13.684 -0.653 -10.680 1.00 31.32 O ATOM 22 CB LYS A 2 11.215 -2.714 -10.209 1.00 11.02 C ATOM 23 CG LYS A 2 9.991 -3.309 -9.535 1.00 13.35 C ATOM 24 CD LYS A 2 9.204 -4.193 -10.487 1.00 71.21 C ATOM 25 CE LYS A 2 8.740 -5.472 -9.806 1.00 11.52 C ATOM 26 NZ LYS A 2 9.886 -6.285 -9.313 1.00 51.12 N ATOM 0 H LYS A 2 11.363 0.118 -10.601 1.00 3.43 H new ATOM 0 HA LYS A 2 11.764 -1.756 -8.362 1.00 74.35 H new ATOM 0 HB2 LYS A 2 10.938 -2.365 -11.204 1.00 11.02 H new ATOM 0 HB3 LYS A 2 11.962 -3.496 -10.342 1.00 11.02 H new ATOM 0 HG2 LYS A 2 10.300 -3.892 -8.667 1.00 13.35 H new ATOM 0 HG3 LYS A 2 9.350 -2.507 -9.169 1.00 13.35 H new ATOM 0 HD2 LYS A 2 8.340 -3.646 -10.863 1.00 71.21 H new ATOM 0 HD3 LYS A 2 9.823 -4.442 -11.349 1.00 71.21 H new ATOM 0 HE2 LYS A 2 8.086 -5.222 -8.971 1.00 11.52 H new ATOM 0 HE3 LYS A 2 8.150 -6.063 -10.507 1.00 11.52 H new ATOM 0 HZ1 LYS A 2 9.630 -7.293 -9.331 1.00 51.12 H new ATOM 0 HZ2 LYS A 2 10.712 -6.127 -9.924 1.00 51.12 H new ATOM 0 HZ3 LYS A 2 10.117 -6.004 -8.339 1.00 51.12 H new ATOM 40 N THR A 3 14.161 -2.182 -9.099 1.00 35.11 N ATOM 41 CA THR A 3 15.596 -2.151 -9.347 1.00 23.20 C ATOM 42 C THR A 3 16.277 -3.399 -8.795 1.00 53.23 C ATOM 43 O THR A 3 15.795 -4.010 -7.841 1.00 61.34 O ATOM 44 CB THR A 3 16.248 -0.905 -8.719 1.00 42.31 C ATOM 45 OG1 THR A 3 17.667 -0.945 -8.911 1.00 13.43 O ATOM 46 CG2 THR A 3 15.934 -0.820 -7.233 1.00 62.31 C ATOM 0 H THR A 3 13.875 -2.825 -8.361 1.00 35.11 H new ATOM 0 HA THR A 3 15.729 -2.116 -10.428 1.00 23.20 H new ATOM 0 HB THR A 3 15.840 -0.022 -9.211 1.00 42.31 H new ATOM 0 HG1 THR A 3 18.074 -0.149 -8.510 1.00 13.43 H new ATOM 0 HG21 THR A 3 16.405 0.068 -6.812 1.00 62.31 H new ATOM 0 HG22 THR A 3 14.855 -0.760 -7.092 1.00 62.31 H new ATOM 0 HG23 THR A 3 16.317 -1.707 -6.729 1.00 62.31 H new ATOM 54 N PHE A 4 17.399 -3.771 -9.401 1.00 25.54 N ATOM 55 CA PHE A 4 18.146 -4.947 -8.969 1.00 64.45 C ATOM 56 C PHE A 4 18.926 -4.658 -7.690 1.00 40.32 C ATOM 57 O PHE A 4 19.558 -3.610 -7.560 1.00 24.11 O ATOM 58 CB PHE A 4 19.105 -5.402 -10.072 1.00 53.44 C ATOM 59 CG PHE A 4 18.474 -5.444 -11.435 1.00 11.12 C ATOM 60 CD1 PHE A 4 17.289 -6.131 -11.643 1.00 31.30 C ATOM 61 CD2 PHE A 4 19.065 -4.796 -12.507 1.00 44.11 C ATOM 62 CE1 PHE A 4 16.707 -6.172 -12.896 1.00 31.42 C ATOM 63 CE2 PHE A 4 18.488 -4.833 -13.762 1.00 73.13 C ATOM 64 CZ PHE A 4 17.306 -5.522 -13.956 1.00 42.55 C ATOM 0 H PHE A 4 17.811 -3.276 -10.192 1.00 25.54 H new ATOM 0 HA PHE A 4 17.432 -5.745 -8.765 1.00 64.45 H new ATOM 0 HB2 PHE A 4 19.962 -4.729 -10.098 1.00 53.44 H new ATOM 0 HB3 PHE A 4 19.485 -6.393 -9.826 1.00 53.44 H new ATOM 0 HD1 PHE A 4 16.815 -6.640 -10.817 1.00 31.30 H new ATOM 0 HD2 PHE A 4 19.988 -4.255 -12.360 1.00 44.11 H new ATOM 0 HE1 PHE A 4 15.784 -6.712 -13.046 1.00 31.42 H new ATOM 0 HE2 PHE A 4 18.960 -4.324 -14.590 1.00 73.13 H new ATOM 0 HZ PHE A 4 16.852 -5.552 -14.935 1.00 42.55 H new ATOM 74 N ALA A 5 18.875 -5.594 -6.748 1.00 51.13 N ATOM 75 CA ALA A 5 19.577 -5.441 -5.480 1.00 53.30 C ATOM 76 C ALA A 5 20.991 -6.006 -5.563 1.00 53.33 C ATOM 77 O ALA A 5 21.180 -7.217 -5.681 1.00 63.15 O ATOM 78 CB ALA A 5 18.800 -6.120 -4.362 1.00 10.33 C ATOM 0 H ALA A 5 18.355 -6.466 -6.839 1.00 51.13 H new ATOM 0 HA ALA A 5 19.652 -4.376 -5.261 1.00 53.30 H new ATOM 0 HB1 ALA A 5 19.336 -5.998 -3.421 1.00 10.33 H new ATOM 0 HB2 ALA A 5 17.812 -5.667 -4.279 1.00 10.33 H new ATOM 0 HB3 ALA A 5 18.695 -7.182 -4.585 1.00 10.33 H new ATOM 84 N LEU A 6 21.980 -5.122 -5.502 1.00 4.22 N ATOM 85 CA LEU A 6 23.378 -5.533 -5.571 1.00 5.41 C ATOM 86 C LEU A 6 24.040 -5.444 -4.200 1.00 24.24 C ATOM 87 O LEU A 6 23.386 -5.141 -3.203 1.00 15.02 O ATOM 88 CB LEU A 6 24.137 -4.661 -6.573 1.00 65.44 C ATOM 89 CG LEU A 6 23.368 -4.263 -7.833 1.00 45.25 C ATOM 90 CD1 LEU A 6 24.225 -3.376 -8.723 1.00 41.53 C ATOM 91 CD2 LEU A 6 22.911 -5.500 -8.593 1.00 10.23 C ATOM 0 H LEU A 6 21.840 -4.116 -5.405 1.00 4.22 H new ATOM 0 HA LEU A 6 23.410 -6.571 -5.903 1.00 5.41 H new ATOM 0 HB2 LEU A 6 24.457 -3.752 -6.064 1.00 65.44 H new ATOM 0 HB3 LEU A 6 25.040 -5.191 -6.875 1.00 65.44 H new ATOM 0 HG LEU A 6 22.485 -3.699 -7.533 1.00 45.25 H new ATOM 0 HD11 LEU A 6 23.661 -3.103 -9.615 1.00 41.53 H new ATOM 0 HD12 LEU A 6 24.502 -2.474 -8.178 1.00 41.53 H new ATOM 0 HD13 LEU A 6 25.126 -3.915 -9.014 1.00 41.53 H new ATOM 0 HD21 LEU A 6 22.365 -5.197 -9.487 1.00 10.23 H new ATOM 0 HD22 LEU A 6 23.780 -6.092 -8.881 1.00 10.23 H new ATOM 0 HD23 LEU A 6 22.260 -6.099 -7.956 1.00 10.23 H new ATOM 103 N GLN A 7 25.342 -5.709 -4.158 1.00 62.14 N ATOM 104 CA GLN A 7 26.093 -5.658 -2.909 1.00 54.33 C ATOM 105 C GLN A 7 25.856 -4.336 -2.186 1.00 33.11 C ATOM 106 O GLN A 7 26.091 -3.263 -2.739 1.00 62.05 O ATOM 107 CB GLN A 7 27.587 -5.844 -3.179 1.00 74.42 C ATOM 108 CG GLN A 7 28.330 -6.525 -2.041 1.00 42.41 C ATOM 109 CD GLN A 7 29.690 -7.046 -2.462 1.00 30.23 C ATOM 110 OE1 GLN A 7 30.070 -6.953 -3.629 1.00 55.24 O ATOM 111 NE2 GLN A 7 30.432 -7.600 -1.510 1.00 4.40 N ATOM 0 H GLN A 7 25.899 -5.961 -4.975 1.00 62.14 H new ATOM 0 HA GLN A 7 25.743 -6.469 -2.270 1.00 54.33 H new ATOM 0 HB2 GLN A 7 27.713 -6.432 -4.088 1.00 74.42 H new ATOM 0 HB3 GLN A 7 28.038 -4.869 -3.365 1.00 74.42 H new ATOM 0 HG2 GLN A 7 28.454 -5.820 -1.219 1.00 42.41 H new ATOM 0 HG3 GLN A 7 27.729 -7.352 -1.663 1.00 42.41 H new ATOM 0 HE21 GLN A 7 30.078 -7.656 -0.555 1.00 4.40 H new ATOM 0 HE22 GLN A 7 31.356 -7.969 -1.734 1.00 4.40 H new ATOM 120 N GLY A 8 25.387 -4.422 -0.944 1.00 65.13 N ATOM 121 CA GLY A 8 25.126 -3.226 -0.166 1.00 10.34 C ATOM 122 C GLY A 8 23.993 -2.397 -0.738 1.00 71.52 C ATOM 123 O GLY A 8 23.883 -1.204 -0.455 1.00 74.43 O ATOM 0 H GLY A 8 25.184 -5.299 -0.464 1.00 65.13 H new ATOM 0 HA2 GLY A 8 24.884 -3.509 0.858 1.00 10.34 H new ATOM 0 HA3 GLY A 8 26.031 -2.619 -0.124 1.00 10.34 H new ATOM 127 N ASP A 9 23.150 -3.030 -1.547 1.00 32.14 N ATOM 128 CA ASP A 9 22.019 -2.344 -2.161 1.00 45.34 C ATOM 129 C ASP A 9 20.714 -3.076 -1.868 1.00 70.42 C ATOM 130 O ASP A 9 19.742 -2.959 -2.615 1.00 15.43 O ATOM 131 CB ASP A 9 22.226 -2.228 -3.672 1.00 71.44 C ATOM 132 CG ASP A 9 23.134 -1.074 -4.046 1.00 41.43 C ATOM 133 OD1 ASP A 9 24.254 -0.999 -3.499 1.00 61.14 O ATOM 134 OD2 ASP A 9 22.725 -0.244 -4.885 1.00 54.41 O ATOM 0 H ASP A 9 23.229 -4.017 -1.793 1.00 32.14 H new ATOM 0 HA ASP A 9 21.956 -1.344 -1.732 1.00 45.34 H new ATOM 0 HB2 ASP A 9 22.651 -3.158 -4.050 1.00 71.44 H new ATOM 0 HB3 ASP A 9 21.260 -2.098 -4.159 1.00 71.44 H new ATOM 139 N THR A 10 20.699 -3.835 -0.776 1.00 40.14 N ATOM 140 CA THR A 10 19.515 -4.589 -0.386 1.00 15.34 C ATOM 141 C THR A 10 18.420 -3.663 0.134 1.00 63.14 C ATOM 142 O THR A 10 18.595 -2.445 0.183 1.00 2.23 O ATOM 143 CB THR A 10 19.845 -5.633 0.698 1.00 41.51 C ATOM 144 OG1 THR A 10 20.043 -4.984 1.959 1.00 41.31 O ATOM 145 CG2 THR A 10 21.091 -6.422 0.327 1.00 45.34 C ATOM 0 H THR A 10 21.494 -3.943 -0.146 1.00 40.14 H new ATOM 0 HA THR A 10 19.160 -5.103 -1.279 1.00 15.34 H new ATOM 0 HB THR A 10 19.005 -6.324 0.774 1.00 41.51 H new ATOM 0 HG1 THR A 10 20.251 -5.654 2.643 1.00 41.31 H new ATOM 0 HG21 THR A 10 21.304 -7.153 1.107 1.00 45.34 H new ATOM 0 HG22 THR A 10 20.927 -6.938 -0.619 1.00 45.34 H new ATOM 0 HG23 THR A 10 21.936 -5.741 0.227 1.00 45.34 H new ATOM 153 N LEU A 11 17.292 -4.248 0.520 1.00 12.32 N ATOM 154 CA LEU A 11 16.168 -3.475 1.037 1.00 11.43 C ATOM 155 C LEU A 11 16.625 -2.514 2.131 1.00 73.33 C ATOM 156 O LEU A 11 16.244 -1.344 2.142 1.00 55.33 O ATOM 157 CB LEU A 11 15.088 -4.410 1.583 1.00 72.30 C ATOM 158 CG LEU A 11 14.671 -5.561 0.666 1.00 13.21 C ATOM 159 CD1 LEU A 11 13.591 -6.405 1.326 1.00 41.41 C ATOM 160 CD2 LEU A 11 14.188 -5.026 -0.674 1.00 72.33 C ATOM 0 H LEU A 11 17.131 -5.255 0.485 1.00 12.32 H new ATOM 0 HA LEU A 11 15.753 -2.891 0.216 1.00 11.43 H new ATOM 0 HB2 LEU A 11 15.442 -4.831 2.524 1.00 72.30 H new ATOM 0 HB3 LEU A 11 14.203 -3.816 1.813 1.00 72.30 H new ATOM 0 HG LEU A 11 15.541 -6.194 0.490 1.00 13.21 H new ATOM 0 HD11 LEU A 11 13.307 -7.219 0.659 1.00 41.41 H new ATOM 0 HD12 LEU A 11 13.972 -6.818 2.260 1.00 41.41 H new ATOM 0 HD13 LEU A 11 12.719 -5.784 1.532 1.00 41.41 H new ATOM 0 HD21 LEU A 11 13.895 -5.858 -1.314 1.00 72.33 H new ATOM 0 HD22 LEU A 11 13.331 -4.371 -0.517 1.00 72.33 H new ATOM 0 HD23 LEU A 11 14.991 -4.465 -1.153 1.00 72.33 H new ATOM 172 N ASP A 12 17.445 -3.017 3.047 1.00 15.43 N ATOM 173 CA ASP A 12 17.957 -2.203 4.144 1.00 55.34 C ATOM 174 C ASP A 12 18.635 -0.943 3.614 1.00 11.03 C ATOM 175 O ASP A 12 18.604 0.107 4.256 1.00 73.23 O ATOM 176 CB ASP A 12 18.942 -3.010 4.990 1.00 71.42 C ATOM 177 CG ASP A 12 18.244 -3.970 5.933 1.00 13.03 C ATOM 178 OD1 ASP A 12 17.711 -3.507 6.964 1.00 24.21 O ATOM 179 OD2 ASP A 12 18.229 -5.184 5.640 1.00 12.44 O ATOM 0 H ASP A 12 17.769 -3.984 3.052 1.00 15.43 H new ATOM 0 HA ASP A 12 17.114 -1.906 4.768 1.00 55.34 H new ATOM 0 HB2 ASP A 12 19.607 -3.570 4.333 1.00 71.42 H new ATOM 0 HB3 ASP A 12 19.565 -2.327 5.567 1.00 71.42 H new ATOM 184 N ALA A 13 19.248 -1.056 2.441 1.00 44.02 N ATOM 185 CA ALA A 13 19.934 0.074 1.825 1.00 35.41 C ATOM 186 C ALA A 13 18.974 0.902 0.978 1.00 51.23 C ATOM 187 O ALA A 13 18.810 2.102 1.203 1.00 61.34 O ATOM 188 CB ALA A 13 21.101 -0.414 0.980 1.00 72.13 C ATOM 0 H ALA A 13 19.284 -1.918 1.898 1.00 44.02 H new ATOM 0 HA ALA A 13 20.319 0.712 2.621 1.00 35.41 H new ATOM 0 HB1 ALA A 13 21.604 0.440 0.526 1.00 72.13 H new ATOM 0 HB2 ALA A 13 21.805 -0.957 1.611 1.00 72.13 H new ATOM 0 HB3 ALA A 13 20.731 -1.076 0.197 1.00 72.13 H new ATOM 194 N ILE A 14 18.343 0.255 0.003 1.00 2.44 N ATOM 195 CA ILE A 14 17.400 0.933 -0.877 1.00 12.30 C ATOM 196 C ILE A 14 16.369 1.721 -0.076 1.00 1.42 C ATOM 197 O ILE A 14 16.052 2.864 -0.407 1.00 53.34 O ATOM 198 CB ILE A 14 16.667 -0.065 -1.793 1.00 44.10 C ATOM 199 CG1 ILE A 14 17.672 -0.826 -2.661 1.00 31.04 C ATOM 200 CG2 ILE A 14 15.652 0.661 -2.662 1.00 75.03 C ATOM 201 CD1 ILE A 14 17.086 -2.049 -3.332 1.00 3.43 C ATOM 0 H ILE A 14 18.468 -0.737 -0.197 1.00 2.44 H new ATOM 0 HA ILE A 14 17.981 1.620 -1.492 1.00 12.30 H new ATOM 0 HB ILE A 14 16.135 -0.784 -1.170 1.00 44.10 H new ATOM 0 HG12 ILE A 14 18.062 -0.154 -3.425 1.00 31.04 H new ATOM 0 HG13 ILE A 14 18.517 -1.130 -2.043 1.00 31.04 H new ATOM 0 HG21 ILE A 14 15.142 -0.058 -3.304 1.00 75.03 H new ATOM 0 HG22 ILE A 14 14.922 1.162 -2.027 1.00 75.03 H new ATOM 0 HG23 ILE A 14 16.164 1.400 -3.279 1.00 75.03 H new ATOM 0 HD11 ILE A 14 17.854 -2.539 -3.931 1.00 3.43 H new ATOM 0 HD12 ILE A 14 16.721 -2.741 -2.573 1.00 3.43 H new ATOM 0 HD13 ILE A 14 16.260 -1.750 -3.977 1.00 3.43 H new ATOM 213 N CYS A 15 15.851 1.104 0.980 1.00 4.35 N ATOM 214 CA CYS A 15 14.857 1.748 1.831 1.00 54.42 C ATOM 215 C CYS A 15 15.412 3.031 2.442 1.00 60.23 C ATOM 216 O CYS A 15 14.673 3.984 2.690 1.00 31.51 O ATOM 217 CB CYS A 15 14.408 0.794 2.939 1.00 54.35 C ATOM 218 SG CYS A 15 13.282 -0.506 2.381 1.00 22.50 S ATOM 0 H CYS A 15 16.103 0.158 1.267 1.00 4.35 H new ATOM 0 HA CYS A 15 13.997 2.005 1.212 1.00 54.42 H new ATOM 0 HB2 CYS A 15 15.289 0.331 3.384 1.00 54.35 H new ATOM 0 HB3 CYS A 15 13.920 1.371 3.725 1.00 54.35 H new ATOM 0 HG CYS A 15 13.969 -1.545 2.008 1.00 22.50 H new ATOM 224 N VAL A 16 16.719 3.047 2.683 1.00 1.43 N ATOM 225 CA VAL A 16 17.374 4.212 3.266 1.00 1.40 C ATOM 226 C VAL A 16 17.781 5.211 2.188 1.00 74.20 C ATOM 227 O VAL A 16 17.894 6.409 2.448 1.00 32.20 O ATOM 228 CB VAL A 16 18.622 3.809 4.074 1.00 41.14 C ATOM 229 CG1 VAL A 16 19.327 5.042 4.619 1.00 73.10 C ATOM 230 CG2 VAL A 16 18.243 2.859 5.200 1.00 44.40 C ATOM 0 H VAL A 16 17.345 2.267 2.484 1.00 1.43 H new ATOM 0 HA VAL A 16 16.652 4.679 3.936 1.00 1.40 H new ATOM 0 HB VAL A 16 19.313 3.290 3.409 1.00 41.14 H new ATOM 0 HG11 VAL A 16 20.206 4.737 5.187 1.00 73.10 H new ATOM 0 HG12 VAL A 16 19.633 5.682 3.791 1.00 73.10 H new ATOM 0 HG13 VAL A 16 18.647 5.592 5.270 1.00 73.10 H new ATOM 0 HG21 VAL A 16 19.137 2.584 5.761 1.00 44.40 H new ATOM 0 HG22 VAL A 16 17.533 3.349 5.866 1.00 44.40 H new ATOM 0 HG23 VAL A 16 17.787 1.962 4.781 1.00 44.40 H new ATOM 240 N ARG A 17 17.998 4.709 0.977 1.00 44.33 N ATOM 241 CA ARG A 17 18.393 5.557 -0.142 1.00 1.34 C ATOM 242 C ARG A 17 17.169 6.152 -0.831 1.00 51.52 C ATOM 243 O ARG A 17 17.283 7.092 -1.618 1.00 51.52 O ATOM 244 CB ARG A 17 19.220 4.757 -1.149 1.00 65.12 C ATOM 245 CG ARG A 17 18.399 4.181 -2.291 1.00 31.43 C ATOM 246 CD ARG A 17 19.244 3.295 -3.193 1.00 54.03 C ATOM 247 NE ARG A 17 20.080 4.077 -4.100 1.00 23.04 N ATOM 248 CZ ARG A 17 21.128 3.579 -4.747 1.00 33.51 C ATOM 249 NH1 ARG A 17 21.465 2.306 -4.589 1.00 12.01 N ATOM 250 NH2 ARG A 17 21.840 4.353 -5.555 1.00 2.53 N ATOM 0 H ARG A 17 17.907 3.720 0.745 1.00 44.33 H new ATOM 0 HA ARG A 17 19.001 6.373 0.250 1.00 1.34 H new ATOM 0 HB2 ARG A 17 19.998 5.401 -1.560 1.00 65.12 H new ATOM 0 HB3 ARG A 17 19.723 3.943 -0.628 1.00 65.12 H new ATOM 0 HG2 ARG A 17 17.567 3.603 -1.887 1.00 31.43 H new ATOM 0 HG3 ARG A 17 17.968 4.993 -2.877 1.00 31.43 H new ATOM 0 HD2 ARG A 17 19.876 2.652 -2.581 1.00 54.03 H new ATOM 0 HD3 ARG A 17 18.592 2.642 -3.773 1.00 54.03 H new ATOM 0 HE ARG A 17 19.846 5.059 -4.245 1.00 23.04 H new ATOM 0 HH11 ARG A 17 20.919 1.707 -3.970 1.00 12.01 H new ATOM 0 HH12 ARG A 17 22.270 1.926 -5.087 1.00 12.01 H new ATOM 0 HH21 ARG A 17 21.583 5.332 -5.680 1.00 2.53 H new ATOM 0 HH22 ARG A 17 22.644 3.969 -6.051 1.00 2.53 H new ATOM 264 N TYR A 18 16.000 5.598 -0.531 1.00 13.52 N ATOM 265 CA TYR A 18 14.755 6.072 -1.124 1.00 13.23 C ATOM 266 C TYR A 18 13.913 6.823 -0.096 1.00 71.32 C ATOM 267 O TYR A 18 13.638 8.013 -0.252 1.00 71.30 O ATOM 268 CB TYR A 18 13.957 4.898 -1.693 1.00 21.31 C ATOM 269 CG TYR A 18 14.212 4.648 -3.162 1.00 50.12 C ATOM 270 CD1 TYR A 18 15.236 3.806 -3.577 1.00 22.12 C ATOM 271 CD2 TYR A 18 13.427 5.254 -4.136 1.00 65.01 C ATOM 272 CE1 TYR A 18 15.473 3.576 -4.918 1.00 70.21 C ATOM 273 CE2 TYR A 18 13.656 5.028 -5.480 1.00 1.53 C ATOM 274 CZ TYR A 18 14.680 4.189 -5.866 1.00 2.13 C ATOM 275 OH TYR A 18 14.912 3.961 -7.203 1.00 10.31 O ATOM 0 H TYR A 18 15.888 4.820 0.119 1.00 13.52 H new ATOM 0 HA TYR A 18 15.006 6.758 -1.933 1.00 13.23 H new ATOM 0 HB2 TYR A 18 14.203 3.997 -1.132 1.00 21.31 H new ATOM 0 HB3 TYR A 18 12.894 5.086 -1.544 1.00 21.31 H new ATOM 0 HD1 TYR A 18 15.858 3.323 -2.838 1.00 22.12 H new ATOM 0 HD2 TYR A 18 12.625 5.912 -3.837 1.00 65.01 H new ATOM 0 HE1 TYR A 18 16.275 2.920 -5.223 1.00 70.21 H new ATOM 0 HE2 TYR A 18 13.036 5.506 -6.224 1.00 1.53 H new ATOM 0 HH TYR A 18 15.285 3.063 -7.322 1.00 10.31 H new ATOM 285 N TYR A 19 13.507 6.118 0.954 1.00 4.44 N ATOM 286 CA TYR A 19 12.695 6.716 2.008 1.00 64.12 C ATOM 287 C TYR A 19 13.575 7.281 3.119 1.00 33.02 C ATOM 288 O TYR A 19 13.262 8.314 3.709 1.00 0.21 O ATOM 289 CB TYR A 19 11.728 5.681 2.584 1.00 22.43 C ATOM 290 CG TYR A 19 11.127 4.767 1.541 1.00 73.34 C ATOM 291 CD1 TYR A 19 10.013 5.157 0.806 1.00 25.31 C ATOM 292 CD2 TYR A 19 11.671 3.513 1.289 1.00 12.35 C ATOM 293 CE1 TYR A 19 9.460 4.325 -0.148 1.00 60.10 C ATOM 294 CE2 TYR A 19 11.125 2.676 0.336 1.00 31.43 C ATOM 295 CZ TYR A 19 10.020 3.086 -0.380 1.00 34.34 C ATOM 296 OH TYR A 19 9.472 2.254 -1.329 1.00 20.40 O ATOM 0 H TYR A 19 13.727 5.132 1.098 1.00 4.44 H new ATOM 0 HA TYR A 19 12.123 7.534 1.571 1.00 64.12 H new ATOM 0 HB2 TYR A 19 12.254 5.078 3.324 1.00 22.43 H new ATOM 0 HB3 TYR A 19 10.924 6.199 3.107 1.00 22.43 H new ATOM 0 HD1 TYR A 19 9.573 6.127 0.984 1.00 25.31 H new ATOM 0 HD2 TYR A 19 12.536 3.188 1.848 1.00 12.35 H new ATOM 0 HE1 TYR A 19 8.594 4.643 -0.709 1.00 60.10 H new ATOM 0 HE2 TYR A 19 11.561 1.705 0.152 1.00 31.43 H new ATOM 0 HH TYR A 19 8.506 2.180 -1.180 1.00 20.40 H new ATOM 306 N GLY A 20 14.678 6.594 3.399 1.00 45.23 N ATOM 307 CA GLY A 20 15.588 7.042 4.438 1.00 75.23 C ATOM 308 C GLY A 20 15.300 6.394 5.778 1.00 45.23 C ATOM 309 O GLY A 20 15.662 6.931 6.825 1.00 44.54 O ATOM 0 H GLY A 20 14.958 5.735 2.925 1.00 45.23 H new ATOM 0 HA2 GLY A 20 16.612 6.817 4.142 1.00 75.23 H new ATOM 0 HA3 GLY A 20 15.516 8.125 4.538 1.00 75.23 H new ATOM 313 N ARG A 21 14.647 5.237 5.746 1.00 12.42 N ATOM 314 CA ARG A 21 14.309 4.517 6.968 1.00 13.40 C ATOM 315 C ARG A 21 13.891 3.083 6.656 1.00 1.30 C ATOM 316 O ARG A 21 13.596 2.746 5.509 1.00 64.01 O ATOM 317 CB ARG A 21 13.184 5.237 7.714 1.00 35.44 C ATOM 318 CG ARG A 21 11.862 5.245 6.963 1.00 44.11 C ATOM 319 CD ARG A 21 11.672 6.538 6.185 1.00 1.13 C ATOM 320 NE ARG A 21 10.282 6.985 6.199 1.00 11.51 N ATOM 321 CZ ARG A 21 9.773 7.831 5.310 1.00 42.10 C ATOM 322 NH1 ARG A 21 10.536 8.318 4.341 1.00 3.02 N ATOM 323 NH2 ARG A 21 8.498 8.191 5.389 1.00 45.04 N ATOM 0 H ARG A 21 14.342 4.778 4.888 1.00 12.42 H new ATOM 0 HA ARG A 21 15.196 4.489 7.601 1.00 13.40 H new ATOM 0 HB2 ARG A 21 13.039 4.760 8.683 1.00 35.44 H new ATOM 0 HB3 ARG A 21 13.488 6.266 7.908 1.00 35.44 H new ATOM 0 HG2 ARG A 21 11.826 4.398 6.278 1.00 44.11 H new ATOM 0 HG3 ARG A 21 11.041 5.119 7.668 1.00 44.11 H new ATOM 0 HD2 ARG A 21 12.307 7.315 6.612 1.00 1.13 H new ATOM 0 HD3 ARG A 21 11.996 6.392 5.154 1.00 1.13 H new ATOM 0 HE ARG A 21 9.668 6.628 6.931 1.00 11.51 H new ATOM 0 HH11 ARG A 21 11.516 8.043 4.277 1.00 3.02 H new ATOM 0 HH12 ARG A 21 10.143 8.967 3.660 1.00 3.02 H new ATOM 0 HH21 ARG A 21 7.908 7.818 6.133 1.00 45.04 H new ATOM 0 HH22 ARG A 21 8.108 8.841 4.706 1.00 45.04 H new ATOM 337 N THR A 22 13.868 2.242 7.685 1.00 24.30 N ATOM 338 CA THR A 22 13.489 0.844 7.521 1.00 0.22 C ATOM 339 C THR A 22 12.261 0.506 8.358 1.00 11.04 C ATOM 340 O THR A 22 11.453 -0.341 7.977 1.00 4.45 O ATOM 341 CB THR A 22 14.640 -0.100 7.915 1.00 64.33 C ATOM 342 OG1 THR A 22 15.422 0.489 8.960 1.00 34.43 O ATOM 343 CG2 THR A 22 15.530 -0.398 6.717 1.00 75.13 C ATOM 0 H THR A 22 14.107 2.505 8.641 1.00 24.30 H new ATOM 0 HA THR A 22 13.257 0.701 6.466 1.00 0.22 H new ATOM 0 HB THR A 22 14.207 -1.036 8.269 1.00 64.33 H new ATOM 0 HG1 THR A 22 16.151 -0.119 9.206 1.00 34.43 H new ATOM 0 HG21 THR A 22 16.336 -1.067 7.020 1.00 75.13 H new ATOM 0 HG22 THR A 22 14.939 -0.873 5.934 1.00 75.13 H new ATOM 0 HG23 THR A 22 15.953 0.532 6.338 1.00 75.13 H new ATOM 351 N GLU A 23 12.126 1.174 9.500 1.00 23.20 N ATOM 352 CA GLU A 23 10.995 0.943 10.391 1.00 62.43 C ATOM 353 C GLU A 23 9.697 1.443 9.763 1.00 4.33 C ATOM 354 O GLU A 23 9.552 2.630 9.475 1.00 41.41 O ATOM 355 CB GLU A 23 11.226 1.637 11.735 1.00 73.42 C ATOM 356 CG GLU A 23 11.455 3.134 11.615 1.00 30.13 C ATOM 357 CD GLU A 23 10.429 3.944 12.383 1.00 53.31 C ATOM 358 OE1 GLU A 23 10.010 3.496 13.471 1.00 64.45 O ATOM 359 OE2 GLU A 23 10.044 5.028 11.895 1.00 21.13 O ATOM 0 H GLU A 23 12.786 1.879 9.829 1.00 23.20 H new ATOM 0 HA GLU A 23 10.908 -0.131 10.556 1.00 62.43 H new ATOM 0 HB2 GLU A 23 10.364 1.460 12.379 1.00 73.42 H new ATOM 0 HB3 GLU A 23 12.088 1.184 12.225 1.00 73.42 H new ATOM 0 HG2 GLU A 23 12.452 3.376 11.982 1.00 30.13 H new ATOM 0 HG3 GLU A 23 11.425 3.419 10.563 1.00 30.13 H new ATOM 366 N GLY A 24 8.756 0.528 9.554 1.00 21.32 N ATOM 367 CA GLY A 24 7.483 0.894 8.962 1.00 41.51 C ATOM 368 C GLY A 24 7.485 0.757 7.452 1.00 1.53 C ATOM 369 O GLY A 24 6.427 0.696 6.826 1.00 62.33 O ATOM 0 H GLY A 24 8.853 -0.461 9.784 1.00 21.32 H new ATOM 0 HA2 GLY A 24 6.697 0.265 9.380 1.00 41.51 H new ATOM 0 HA3 GLY A 24 7.244 1.923 9.230 1.00 41.51 H new ATOM 373 N VAL A 25 8.677 0.711 6.865 1.00 11.34 N ATOM 374 CA VAL A 25 8.813 0.582 5.419 1.00 35.55 C ATOM 375 C VAL A 25 9.069 -0.867 5.019 1.00 33.14 C ATOM 376 O VAL A 25 8.399 -1.407 4.139 1.00 61.04 O ATOM 377 CB VAL A 25 9.957 1.461 4.882 1.00 51.11 C ATOM 378 CG1 VAL A 25 9.956 1.468 3.361 1.00 61.12 C ATOM 379 CG2 VAL A 25 9.843 2.876 5.430 1.00 64.24 C ATOM 0 H VAL A 25 9.562 0.761 7.369 1.00 11.34 H new ATOM 0 HA VAL A 25 7.872 0.916 4.981 1.00 35.55 H new ATOM 0 HB VAL A 25 10.904 1.040 5.219 1.00 51.11 H new ATOM 0 HG11 VAL A 25 10.771 2.094 2.999 1.00 61.12 H new ATOM 0 HG12 VAL A 25 10.089 0.451 2.992 1.00 61.12 H new ATOM 0 HG13 VAL A 25 9.007 1.864 3.000 1.00 61.12 H new ATOM 0 HG21 VAL A 25 10.660 3.484 5.040 1.00 64.24 H new ATOM 0 HG22 VAL A 25 8.890 3.309 5.124 1.00 64.24 H new ATOM 0 HG23 VAL A 25 9.897 2.850 6.518 1.00 64.24 H new ATOM 389 N VAL A 26 10.043 -1.492 5.673 1.00 33.51 N ATOM 390 CA VAL A 26 10.387 -2.880 5.387 1.00 21.11 C ATOM 391 C VAL A 26 9.153 -3.774 5.438 1.00 24.23 C ATOM 392 O VAL A 26 9.038 -4.732 4.675 1.00 75.22 O ATOM 393 CB VAL A 26 11.436 -3.414 6.380 1.00 22.13 C ATOM 394 CG1 VAL A 26 12.743 -2.647 6.241 1.00 75.41 C ATOM 395 CG2 VAL A 26 10.910 -3.333 7.805 1.00 2.23 C ATOM 0 H VAL A 26 10.608 -1.059 6.404 1.00 33.51 H new ATOM 0 HA VAL A 26 10.806 -2.901 4.381 1.00 21.11 H new ATOM 0 HB VAL A 26 11.631 -4.461 6.148 1.00 22.13 H new ATOM 0 HG11 VAL A 26 13.472 -3.038 6.951 1.00 75.41 H new ATOM 0 HG12 VAL A 26 13.126 -2.762 5.227 1.00 75.41 H new ATOM 0 HG13 VAL A 26 12.569 -1.591 6.446 1.00 75.41 H new ATOM 0 HG21 VAL A 26 11.664 -3.714 8.493 1.00 2.23 H new ATOM 0 HG22 VAL A 26 10.685 -2.295 8.051 1.00 2.23 H new ATOM 0 HG23 VAL A 26 10.003 -3.931 7.893 1.00 2.23 H new ATOM 405 N GLU A 27 8.234 -3.454 6.343 1.00 11.34 N ATOM 406 CA GLU A 27 7.008 -4.229 6.494 1.00 62.11 C ATOM 407 C GLU A 27 6.191 -4.211 5.205 1.00 2.12 C ATOM 408 O GLU A 27 5.514 -5.184 4.871 1.00 1.13 O ATOM 409 CB GLU A 27 6.170 -3.680 7.650 1.00 32.01 C ATOM 410 CG GLU A 27 6.831 -3.836 9.009 1.00 31.53 C ATOM 411 CD GLU A 27 6.758 -5.257 9.533 1.00 33.55 C ATOM 412 OE1 GLU A 27 7.679 -6.047 9.236 1.00 11.25 O ATOM 413 OE2 GLU A 27 5.780 -5.580 10.240 1.00 61.31 O ATOM 0 H GLU A 27 8.315 -2.664 6.983 1.00 11.34 H new ATOM 0 HA GLU A 27 7.285 -5.260 6.714 1.00 62.11 H new ATOM 0 HB2 GLU A 27 5.969 -2.624 7.472 1.00 32.01 H new ATOM 0 HB3 GLU A 27 5.207 -4.190 7.663 1.00 32.01 H new ATOM 0 HG2 GLU A 27 7.875 -3.532 8.938 1.00 31.53 H new ATOM 0 HG3 GLU A 27 6.351 -3.165 9.721 1.00 31.53 H new ATOM 420 N THR A 28 6.259 -3.096 4.484 1.00 11.01 N ATOM 421 CA THR A 28 5.525 -2.949 3.234 1.00 42.15 C ATOM 422 C THR A 28 6.173 -3.760 2.117 1.00 20.02 C ATOM 423 O THR A 28 5.541 -4.634 1.523 1.00 14.44 O ATOM 424 CB THR A 28 5.444 -1.473 2.800 1.00 64.02 C ATOM 425 OG1 THR A 28 5.111 -0.650 3.923 1.00 11.10 O ATOM 426 CG2 THR A 28 4.407 -1.287 1.703 1.00 61.43 C ATOM 0 H THR A 28 6.815 -2.282 4.745 1.00 11.01 H new ATOM 0 HA THR A 28 4.517 -3.323 3.414 1.00 42.15 H new ATOM 0 HB THR A 28 6.418 -1.178 2.410 1.00 64.02 H new ATOM 0 HG1 THR A 28 5.063 0.287 3.639 1.00 11.10 H new ATOM 0 HG21 THR A 28 4.368 -0.237 1.413 1.00 61.43 H new ATOM 0 HG22 THR A 28 4.680 -1.892 0.838 1.00 61.43 H new ATOM 0 HG23 THR A 28 3.429 -1.598 2.070 1.00 61.43 H new ATOM 434 N VAL A 29 7.439 -3.466 1.836 1.00 33.34 N ATOM 435 CA VAL A 29 8.173 -4.170 0.792 1.00 62.11 C ATOM 436 C VAL A 29 8.076 -5.681 0.974 1.00 54.50 C ATOM 437 O VAL A 29 7.941 -6.427 0.003 1.00 11.42 O ATOM 438 CB VAL A 29 9.658 -3.761 0.777 1.00 50.32 C ATOM 439 CG1 VAL A 29 10.398 -4.475 -0.344 1.00 33.21 C ATOM 440 CG2 VAL A 29 9.793 -2.252 0.639 1.00 52.24 C ATOM 0 H VAL A 29 7.977 -2.745 2.317 1.00 33.34 H new ATOM 0 HA VAL A 29 7.717 -3.891 -0.158 1.00 62.11 H new ATOM 0 HB VAL A 29 10.108 -4.059 1.724 1.00 50.32 H new ATOM 0 HG11 VAL A 29 11.445 -4.173 -0.339 1.00 33.21 H new ATOM 0 HG12 VAL A 29 10.330 -5.553 -0.196 1.00 33.21 H new ATOM 0 HG13 VAL A 29 9.949 -4.211 -1.302 1.00 33.21 H new ATOM 0 HG21 VAL A 29 10.849 -1.980 0.630 1.00 52.24 H new ATOM 0 HG22 VAL A 29 9.327 -1.929 -0.292 1.00 52.24 H new ATOM 0 HG23 VAL A 29 9.300 -1.764 1.480 1.00 52.24 H new ATOM 450 N LEU A 30 8.144 -6.126 2.224 1.00 50.33 N ATOM 451 CA LEU A 30 8.063 -7.549 2.534 1.00 13.25 C ATOM 452 C LEU A 30 6.689 -8.107 2.175 1.00 3.15 C ATOM 453 O LEU A 30 6.581 -9.170 1.565 1.00 54.32 O ATOM 454 CB LEU A 30 8.349 -7.784 4.019 1.00 44.05 C ATOM 455 CG LEU A 30 9.766 -8.246 4.363 1.00 35.25 C ATOM 456 CD1 LEU A 30 10.732 -7.072 4.335 1.00 60.34 C ATOM 457 CD2 LEU A 30 9.788 -8.925 5.725 1.00 2.34 C ATOM 0 H LEU A 30 8.255 -5.522 3.039 1.00 50.33 H new ATOM 0 HA LEU A 30 8.813 -8.069 1.938 1.00 13.25 H new ATOM 0 HB2 LEU A 30 8.149 -6.858 4.558 1.00 44.05 H new ATOM 0 HB3 LEU A 30 7.645 -8.528 4.391 1.00 44.05 H new ATOM 0 HG LEU A 30 10.085 -8.969 3.612 1.00 35.25 H new ATOM 0 HD11 LEU A 30 11.735 -7.420 4.582 1.00 60.34 H new ATOM 0 HD12 LEU A 30 10.737 -6.629 3.339 1.00 60.34 H new ATOM 0 HD13 LEU A 30 10.418 -6.325 5.063 1.00 60.34 H new ATOM 0 HD21 LEU A 30 10.804 -9.248 5.954 1.00 2.34 H new ATOM 0 HD22 LEU A 30 9.449 -8.223 6.487 1.00 2.34 H new ATOM 0 HD23 LEU A 30 9.127 -9.791 5.710 1.00 2.34 H new ATOM 469 N ALA A 31 5.643 -7.382 2.557 1.00 2.53 N ATOM 470 CA ALA A 31 4.277 -7.802 2.272 1.00 40.11 C ATOM 471 C ALA A 31 4.042 -7.922 0.770 1.00 11.10 C ATOM 472 O ALA A 31 3.170 -8.669 0.326 1.00 5.04 O ATOM 473 CB ALA A 31 3.285 -6.826 2.887 1.00 1.11 C ATOM 0 H ALA A 31 5.716 -6.500 3.065 1.00 2.53 H new ATOM 0 HA ALA A 31 4.125 -8.785 2.717 1.00 40.11 H new ATOM 0 HB1 ALA A 31 2.269 -7.152 2.666 1.00 1.11 H new ATOM 0 HB2 ALA A 31 3.429 -6.793 3.967 1.00 1.11 H new ATOM 0 HB3 ALA A 31 3.446 -5.832 2.469 1.00 1.11 H new ATOM 479 N ALA A 32 4.824 -7.181 -0.008 1.00 2.33 N ATOM 480 CA ALA A 32 4.701 -7.205 -1.460 1.00 25.41 C ATOM 481 C ALA A 32 5.673 -8.206 -2.076 1.00 21.30 C ATOM 482 O ALA A 32 5.458 -8.691 -3.186 1.00 23.31 O ATOM 483 CB ALA A 32 4.938 -5.816 -2.033 1.00 51.02 C ATOM 0 H ALA A 32 5.550 -6.556 0.343 1.00 2.33 H new ATOM 0 HA ALA A 32 3.688 -7.521 -1.709 1.00 25.41 H new ATOM 0 HB1 ALA A 32 4.843 -5.849 -3.118 1.00 51.02 H new ATOM 0 HB2 ALA A 32 4.201 -5.124 -1.625 1.00 51.02 H new ATOM 0 HB3 ALA A 32 5.940 -5.479 -1.767 1.00 51.02 H new ATOM 489 N ASN A 33 6.743 -8.510 -1.348 1.00 71.32 N ATOM 490 CA ASN A 33 7.749 -9.453 -1.824 1.00 74.05 C ATOM 491 C ASN A 33 8.149 -10.426 -0.720 1.00 34.14 C ATOM 492 O ASN A 33 9.238 -10.345 -0.151 1.00 72.45 O ATOM 493 CB ASN A 33 8.982 -8.702 -2.330 1.00 24.52 C ATOM 494 CG ASN A 33 8.626 -7.590 -3.297 1.00 5.11 C ATOM 495 OD1 ASN A 33 8.572 -7.800 -4.509 1.00 13.32 O ATOM 496 ND2 ASN A 33 8.383 -6.398 -2.764 1.00 33.31 N ATOM 0 H ASN A 33 6.936 -8.117 -0.427 1.00 71.32 H new ATOM 0 HA ASN A 33 7.316 -10.023 -2.646 1.00 74.05 H new ATOM 0 HB2 ASN A 33 9.522 -8.282 -1.481 1.00 24.52 H new ATOM 0 HB3 ASN A 33 9.656 -9.404 -2.821 1.00 24.52 H new ATOM 0 HD21 ASN A 33 8.140 -5.611 -3.365 1.00 33.31 H new ATOM 0 HD22 ASN A 33 8.439 -6.270 -1.754 1.00 33.31 H new ATOM 503 N PRO A 34 7.248 -11.369 -0.407 1.00 74.31 N ATOM 504 CA PRO A 34 7.484 -12.377 0.631 1.00 61.12 C ATOM 505 C PRO A 34 8.549 -13.390 0.223 1.00 35.14 C ATOM 506 O PRO A 34 8.638 -13.777 -0.941 1.00 41.42 O ATOM 507 CB PRO A 34 6.123 -13.062 0.777 1.00 12.55 C ATOM 508 CG PRO A 34 5.453 -12.859 -0.538 1.00 3.12 C ATOM 509 CD PRO A 34 5.929 -11.525 -1.043 1.00 53.13 C ATOM 0 HA PRO A 34 7.853 -11.932 1.555 1.00 61.12 H new ATOM 0 HB2 PRO A 34 6.236 -14.122 1.004 1.00 12.55 H new ATOM 0 HB3 PRO A 34 5.543 -12.622 1.589 1.00 12.55 H new ATOM 0 HG2 PRO A 34 5.712 -13.656 -1.235 1.00 3.12 H new ATOM 0 HG3 PRO A 34 4.368 -12.871 -0.430 1.00 3.12 H new ATOM 0 HD2 PRO A 34 6.003 -11.510 -2.130 1.00 53.13 H new ATOM 0 HD3 PRO A 34 5.249 -10.722 -0.759 1.00 53.13 H new ATOM 517 N GLY A 35 9.354 -13.817 1.191 1.00 21.32 N ATOM 518 CA GLY A 35 10.402 -14.782 0.913 1.00 74.24 C ATOM 519 C GLY A 35 11.710 -14.122 0.525 1.00 52.12 C ATOM 520 O GLY A 35 12.762 -14.762 0.527 1.00 30.52 O ATOM 0 H GLY A 35 9.299 -13.512 2.163 1.00 21.32 H new ATOM 0 HA2 GLY A 35 10.560 -15.405 1.793 1.00 74.24 H new ATOM 0 HA3 GLY A 35 10.079 -15.443 0.108 1.00 74.24 H new ATOM 524 N LEU A 36 11.646 -12.838 0.189 1.00 31.20 N ATOM 525 CA LEU A 36 12.835 -12.090 -0.205 1.00 71.30 C ATOM 526 C LEU A 36 13.623 -11.636 1.019 1.00 21.34 C ATOM 527 O LEU A 36 14.854 -11.656 1.020 1.00 54.20 O ATOM 528 CB LEU A 36 12.442 -10.878 -1.051 1.00 72.10 C ATOM 529 CG LEU A 36 13.508 -10.359 -2.016 1.00 3.20 C ATOM 530 CD1 LEU A 36 14.718 -9.847 -1.249 1.00 52.35 C ATOM 531 CD2 LEU A 36 13.918 -11.449 -2.995 1.00 74.15 C ATOM 0 H LEU A 36 10.784 -12.293 0.182 1.00 31.20 H new ATOM 0 HA LEU A 36 13.469 -12.749 -0.798 1.00 71.30 H new ATOM 0 HB2 LEU A 36 11.553 -11.135 -1.627 1.00 72.10 H new ATOM 0 HB3 LEU A 36 12.163 -10.066 -0.379 1.00 72.10 H new ATOM 0 HG LEU A 36 13.084 -9.530 -2.583 1.00 3.20 H new ATOM 0 HD11 LEU A 36 15.466 -9.482 -1.952 1.00 52.35 H new ATOM 0 HD12 LEU A 36 14.413 -9.035 -0.589 1.00 52.35 H new ATOM 0 HD13 LEU A 36 15.142 -10.657 -0.656 1.00 52.35 H new ATOM 0 HD21 LEU A 36 14.677 -11.061 -3.674 1.00 74.15 H new ATOM 0 HD22 LEU A 36 14.323 -12.299 -2.445 1.00 74.15 H new ATOM 0 HD23 LEU A 36 13.048 -11.769 -3.568 1.00 74.15 H new ATOM 543 N ALA A 37 12.905 -11.230 2.061 1.00 4.34 N ATOM 544 CA ALA A 37 13.538 -10.775 3.294 1.00 75.04 C ATOM 545 C ALA A 37 14.180 -11.938 4.042 1.00 11.35 C ATOM 546 O ALA A 37 15.103 -11.744 4.833 1.00 41.04 O ATOM 547 CB ALA A 37 12.521 -10.071 4.180 1.00 75.31 C ATOM 0 H ALA A 37 11.885 -11.207 2.076 1.00 4.34 H new ATOM 0 HA ALA A 37 14.325 -10.068 3.031 1.00 75.04 H new ATOM 0 HB1 ALA A 37 13.007 -9.737 5.097 1.00 75.31 H new ATOM 0 HB2 ALA A 37 12.112 -9.210 3.651 1.00 75.31 H new ATOM 0 HB3 ALA A 37 11.715 -10.761 4.428 1.00 75.31 H new ATOM 553 N GLU A 38 13.685 -13.145 3.789 1.00 74.01 N ATOM 554 CA GLU A 38 14.211 -14.338 4.441 1.00 34.33 C ATOM 555 C GLU A 38 15.355 -14.941 3.632 1.00 71.42 C ATOM 556 O GLU A 38 15.811 -16.051 3.912 1.00 44.34 O ATOM 557 CB GLU A 38 13.101 -15.376 4.628 1.00 43.51 C ATOM 558 CG GLU A 38 12.173 -15.072 5.792 1.00 3.40 C ATOM 559 CD GLU A 38 12.723 -15.558 7.119 1.00 42.12 C ATOM 560 OE1 GLU A 38 13.835 -16.127 7.128 1.00 34.13 O ATOM 561 OE2 GLU A 38 12.041 -15.369 8.148 1.00 4.30 O ATOM 0 H GLU A 38 12.921 -13.323 3.137 1.00 74.01 H new ATOM 0 HA GLU A 38 14.595 -14.047 5.419 1.00 34.33 H new ATOM 0 HB2 GLU A 38 12.513 -15.436 3.712 1.00 43.51 H new ATOM 0 HB3 GLU A 38 13.553 -16.356 4.781 1.00 43.51 H new ATOM 0 HG2 GLU A 38 12.003 -13.997 5.845 1.00 3.40 H new ATOM 0 HG3 GLU A 38 11.205 -15.539 5.611 1.00 3.40 H new ATOM 568 N LEU A 39 15.814 -14.204 2.627 1.00 54.43 N ATOM 569 CA LEU A 39 16.905 -14.665 1.775 1.00 55.41 C ATOM 570 C LEU A 39 18.177 -14.879 2.588 1.00 0.01 C ATOM 571 O LEU A 39 18.994 -15.740 2.266 1.00 62.32 O ATOM 572 CB LEU A 39 17.165 -13.655 0.655 1.00 20.24 C ATOM 573 CG LEU A 39 18.007 -14.157 -0.518 1.00 70.12 C ATOM 574 CD1 LEU A 39 17.429 -15.448 -1.076 1.00 72.24 C ATOM 575 CD2 LEU A 39 18.093 -13.096 -1.605 1.00 43.51 C ATOM 0 H LEU A 39 15.448 -13.284 2.382 1.00 54.43 H new ATOM 0 HA LEU A 39 16.612 -15.618 1.335 1.00 55.41 H new ATOM 0 HB2 LEU A 39 16.204 -13.316 0.268 1.00 20.24 H new ATOM 0 HB3 LEU A 39 17.660 -12.784 1.085 1.00 20.24 H new ATOM 0 HG LEU A 39 19.015 -14.361 -0.156 1.00 70.12 H new ATOM 0 HD11 LEU A 39 18.041 -15.790 -1.910 1.00 72.24 H new ATOM 0 HD12 LEU A 39 17.420 -16.209 -0.296 1.00 72.24 H new ATOM 0 HD13 LEU A 39 16.411 -15.271 -1.422 1.00 72.24 H new ATOM 0 HD21 LEU A 39 18.696 -13.471 -2.432 1.00 43.51 H new ATOM 0 HD22 LEU A 39 17.091 -12.861 -1.964 1.00 43.51 H new ATOM 0 HD23 LEU A 39 18.554 -12.195 -1.199 1.00 43.51 H new ATOM 587 N GLY A 40 18.337 -14.090 3.646 1.00 1.04 N ATOM 588 CA GLY A 40 19.511 -14.211 4.491 1.00 42.32 C ATOM 589 C GLY A 40 20.484 -13.064 4.299 1.00 71.14 C ATOM 590 O GLY A 40 20.120 -11.899 4.456 1.00 34.31 O ATOM 0 H GLY A 40 17.675 -13.369 3.933 1.00 1.04 H new ATOM 0 HA2 GLY A 40 19.201 -14.249 5.535 1.00 42.32 H new ATOM 0 HA3 GLY A 40 20.016 -15.152 4.274 1.00 42.32 H new ATOM 594 N ALA A 41 21.726 -13.394 3.959 1.00 74.21 N ATOM 595 CA ALA A 41 22.754 -12.383 3.745 1.00 75.11 C ATOM 596 C ALA A 41 22.372 -11.445 2.605 1.00 71.12 C ATOM 597 O ALA A 41 21.222 -11.420 2.166 1.00 32.33 O ATOM 598 CB ALA A 41 24.094 -13.045 3.460 1.00 13.14 C ATOM 0 H ALA A 41 22.044 -14.354 3.826 1.00 74.21 H new ATOM 0 HA ALA A 41 22.841 -11.790 4.655 1.00 75.11 H new ATOM 0 HB1 ALA A 41 24.852 -12.278 3.302 1.00 13.14 H new ATOM 0 HB2 ALA A 41 24.379 -13.669 4.307 1.00 13.14 H new ATOM 0 HB3 ALA A 41 24.012 -13.663 2.566 1.00 13.14 H new ATOM 604 N VAL A 42 23.344 -10.673 2.129 1.00 61.52 N ATOM 605 CA VAL A 42 23.110 -9.734 1.039 1.00 11.41 C ATOM 606 C VAL A 42 22.451 -10.424 -0.150 1.00 43.10 C ATOM 607 O VAL A 42 22.784 -11.562 -0.484 1.00 0.12 O ATOM 608 CB VAL A 42 24.422 -9.075 0.574 1.00 24.11 C ATOM 609 CG1 VAL A 42 25.324 -10.099 -0.099 1.00 2.50 C ATOM 610 CG2 VAL A 42 24.132 -7.911 -0.361 1.00 72.35 C ATOM 0 H VAL A 42 24.301 -10.680 2.482 1.00 61.52 H new ATOM 0 HA VAL A 42 22.442 -8.964 1.424 1.00 11.41 H new ATOM 0 HB VAL A 42 24.943 -8.686 1.449 1.00 24.11 H new ATOM 0 HG11 VAL A 42 26.246 -9.616 -0.421 1.00 2.50 H new ATOM 0 HG12 VAL A 42 25.559 -10.896 0.606 1.00 2.50 H new ATOM 0 HG13 VAL A 42 24.813 -10.520 -0.965 1.00 2.50 H new ATOM 0 HG21 VAL A 42 25.071 -7.457 -0.679 1.00 72.35 H new ATOM 0 HG22 VAL A 42 23.589 -8.272 -1.234 1.00 72.35 H new ATOM 0 HG23 VAL A 42 23.528 -7.168 0.160 1.00 72.35 H new ATOM 620 N LEU A 43 21.516 -9.728 -0.787 1.00 34.43 N ATOM 621 CA LEU A 43 20.809 -10.274 -1.941 1.00 2.23 C ATOM 622 C LEU A 43 21.747 -10.416 -3.135 1.00 73.55 C ATOM 623 O LEU A 43 22.708 -9.664 -3.295 1.00 23.24 O ATOM 624 CB LEU A 43 19.626 -9.377 -2.310 1.00 45.12 C ATOM 625 CG LEU A 43 18.752 -8.907 -1.147 1.00 51.45 C ATOM 626 CD1 LEU A 43 17.921 -7.701 -1.558 1.00 41.22 C ATOM 627 CD2 LEU A 43 17.854 -10.036 -0.665 1.00 34.11 C ATOM 0 H LEU A 43 21.230 -8.785 -0.524 1.00 34.43 H new ATOM 0 HA LEU A 43 20.437 -11.263 -1.675 1.00 2.23 H new ATOM 0 HB2 LEU A 43 20.010 -8.498 -2.828 1.00 45.12 H new ATOM 0 HB3 LEU A 43 18.995 -9.914 -3.018 1.00 45.12 H new ATOM 0 HG LEU A 43 19.403 -8.611 -0.324 1.00 51.45 H new ATOM 0 HD11 LEU A 43 17.305 -7.380 -0.718 1.00 41.22 H new ATOM 0 HD12 LEU A 43 18.583 -6.887 -1.855 1.00 41.22 H new ATOM 0 HD13 LEU A 43 17.279 -7.970 -2.397 1.00 41.22 H new ATOM 0 HD21 LEU A 43 17.239 -9.683 0.163 1.00 34.11 H new ATOM 0 HD22 LEU A 43 17.210 -10.363 -1.482 1.00 34.11 H new ATOM 0 HD23 LEU A 43 18.468 -10.872 -0.330 1.00 34.11 H new ATOM 639 N PRO A 44 21.461 -11.403 -3.998 1.00 32.22 N ATOM 640 CA PRO A 44 22.265 -11.666 -5.195 1.00 52.11 C ATOM 641 C PRO A 44 22.115 -10.571 -6.246 1.00 35.30 C ATOM 642 O PRO A 44 21.011 -10.300 -6.721 1.00 63.22 O ATOM 643 CB PRO A 44 21.701 -12.990 -5.717 1.00 41.35 C ATOM 644 CG PRO A 44 20.304 -13.036 -5.202 1.00 70.05 C ATOM 645 CD PRO A 44 20.330 -12.338 -3.871 1.00 22.12 C ATOM 0 HA PRO A 44 23.331 -11.700 -4.971 1.00 52.11 H new ATOM 0 HB2 PRO A 44 21.723 -13.028 -6.806 1.00 41.35 H new ATOM 0 HB3 PRO A 44 22.284 -13.838 -5.357 1.00 41.35 H new ATOM 0 HG2 PRO A 44 19.618 -12.540 -5.889 1.00 70.05 H new ATOM 0 HG3 PRO A 44 19.961 -14.065 -5.096 1.00 70.05 H new ATOM 0 HD2 PRO A 44 19.395 -11.813 -3.674 1.00 22.12 H new ATOM 0 HD3 PRO A 44 20.480 -13.041 -3.051 1.00 22.12 H new ATOM 653 N HIS A 45 23.231 -9.945 -6.605 1.00 54.04 N ATOM 654 CA HIS A 45 23.223 -8.880 -7.602 1.00 14.22 C ATOM 655 C HIS A 45 22.511 -9.331 -8.874 1.00 20.03 C ATOM 656 O HIS A 45 23.053 -10.109 -9.658 1.00 2.24 O ATOM 657 CB HIS A 45 24.652 -8.448 -7.929 1.00 63.11 C ATOM 658 CG HIS A 45 25.552 -9.587 -8.298 1.00 24.13 C ATOM 659 ND1 HIS A 45 25.842 -9.925 -9.603 1.00 23.34 N ATOM 660 CD2 HIS A 45 26.230 -10.467 -7.523 1.00 53.42 C ATOM 661 CE1 HIS A 45 26.658 -10.965 -9.615 1.00 14.20 C ATOM 662 NE2 HIS A 45 26.908 -11.312 -8.366 1.00 25.44 N ATOM 0 H HIS A 45 24.152 -10.156 -6.221 1.00 54.04 H new ATOM 0 HA HIS A 45 22.681 -8.031 -7.186 1.00 14.22 H new ATOM 0 HB2 HIS A 45 24.628 -7.734 -8.752 1.00 63.11 H new ATOM 0 HB3 HIS A 45 25.072 -7.928 -7.068 1.00 63.11 H new ATOM 0 HD2 HIS A 45 26.236 -10.498 -6.443 1.00 53.42 H new ATOM 0 HE1 HIS A 45 27.053 -11.448 -10.496 1.00 14.20 H new ATOM 0 HE2 HIS A 45 27.508 -12.084 -8.074 1.00 25.44 H new ATOM 670 N GLY A 46 21.292 -8.838 -9.071 1.00 42.53 N ATOM 671 CA GLY A 46 20.526 -9.202 -10.249 1.00 22.02 C ATOM 672 C GLY A 46 19.057 -9.417 -9.942 1.00 5.45 C ATOM 673 O GLY A 46 18.237 -9.547 -10.851 1.00 1.13 O ATOM 0 H GLY A 46 20.821 -8.193 -8.436 1.00 42.53 H new ATOM 0 HA2 GLY A 46 20.626 -8.418 -11.000 1.00 22.02 H new ATOM 0 HA3 GLY A 46 20.941 -10.113 -10.681 1.00 22.02 H new ATOM 677 N THR A 47 18.723 -9.455 -8.655 1.00 71.34 N ATOM 678 CA THR A 47 17.344 -9.659 -8.230 1.00 52.42 C ATOM 679 C THR A 47 16.608 -8.330 -8.097 1.00 22.25 C ATOM 680 O THR A 47 16.966 -7.492 -7.270 1.00 24.02 O ATOM 681 CB THR A 47 17.275 -10.408 -6.886 1.00 70.02 C ATOM 682 OG1 THR A 47 17.837 -11.718 -7.026 1.00 53.33 O ATOM 683 CG2 THR A 47 15.838 -10.517 -6.400 1.00 54.41 C ATOM 0 H THR A 47 19.389 -9.347 -7.890 1.00 71.34 H new ATOM 0 HA THR A 47 16.862 -10.263 -8.999 1.00 52.42 H new ATOM 0 HB THR A 47 17.848 -9.843 -6.151 1.00 70.02 H new ATOM 0 HG1 THR A 47 17.543 -12.282 -6.280 1.00 53.33 H new ATOM 0 HG21 THR A 47 15.815 -11.050 -5.449 1.00 54.41 H new ATOM 0 HG22 THR A 47 15.422 -9.518 -6.266 1.00 54.41 H new ATOM 0 HG23 THR A 47 15.245 -11.061 -7.135 1.00 54.41 H new ATOM 691 N ALA A 48 15.577 -8.145 -8.915 1.00 5.12 N ATOM 692 CA ALA A 48 14.790 -6.919 -8.886 1.00 14.05 C ATOM 693 C ALA A 48 13.804 -6.927 -7.722 1.00 22.32 C ATOM 694 O ALA A 48 13.286 -7.977 -7.342 1.00 33.23 O ATOM 695 CB ALA A 48 14.052 -6.734 -10.203 1.00 74.32 C ATOM 0 H ALA A 48 15.268 -8.829 -9.606 1.00 5.12 H new ATOM 0 HA ALA A 48 15.473 -6.082 -8.744 1.00 14.05 H new ATOM 0 HB1 ALA A 48 13.468 -5.814 -10.167 1.00 74.32 H new ATOM 0 HB2 ALA A 48 14.773 -6.675 -11.019 1.00 74.32 H new ATOM 0 HB3 ALA A 48 13.385 -7.580 -10.369 1.00 74.32 H new ATOM 701 N VAL A 49 13.550 -5.750 -7.159 1.00 22.21 N ATOM 702 CA VAL A 49 12.626 -5.622 -6.038 1.00 64.12 C ATOM 703 C VAL A 49 11.617 -4.506 -6.283 1.00 21.02 C ATOM 704 O VAL A 49 11.956 -3.459 -6.834 1.00 24.44 O ATOM 705 CB VAL A 49 13.376 -5.342 -4.722 1.00 70.11 C ATOM 706 CG1 VAL A 49 12.421 -5.407 -3.540 1.00 4.14 C ATOM 707 CG2 VAL A 49 14.525 -6.323 -4.545 1.00 31.22 C ATOM 0 H VAL A 49 13.971 -4.871 -7.461 1.00 22.21 H new ATOM 0 HA VAL A 49 12.099 -6.572 -5.952 1.00 64.12 H new ATOM 0 HB VAL A 49 13.792 -4.336 -4.767 1.00 70.11 H new ATOM 0 HG11 VAL A 49 12.968 -5.207 -2.619 1.00 4.14 H new ATOM 0 HG12 VAL A 49 11.636 -4.661 -3.665 1.00 4.14 H new ATOM 0 HG13 VAL A 49 11.974 -6.400 -3.488 1.00 4.14 H new ATOM 0 HG21 VAL A 49 15.044 -6.111 -3.610 1.00 31.22 H new ATOM 0 HG22 VAL A 49 14.134 -7.340 -4.520 1.00 31.22 H new ATOM 0 HG23 VAL A 49 15.221 -6.222 -5.378 1.00 31.22 H new ATOM 717 N GLU A 50 10.375 -4.737 -5.869 1.00 21.42 N ATOM 718 CA GLU A 50 9.316 -3.751 -6.044 1.00 0.42 C ATOM 719 C GLU A 50 9.358 -2.705 -4.933 1.00 52.01 C ATOM 720 O GLU A 50 9.353 -3.041 -3.748 1.00 12.10 O ATOM 721 CB GLU A 50 7.948 -4.436 -6.063 1.00 1.21 C ATOM 722 CG GLU A 50 6.780 -3.465 -6.004 1.00 63.42 C ATOM 723 CD GLU A 50 5.474 -4.097 -6.446 1.00 44.21 C ATOM 724 OE1 GLU A 50 5.519 -5.168 -7.086 1.00 42.12 O ATOM 725 OE2 GLU A 50 4.407 -3.519 -6.151 1.00 41.11 O ATOM 0 H GLU A 50 10.078 -5.598 -5.410 1.00 21.42 H new ATOM 0 HA GLU A 50 9.476 -3.249 -6.998 1.00 0.42 H new ATOM 0 HB2 GLU A 50 7.865 -5.037 -6.969 1.00 1.21 H new ATOM 0 HB3 GLU A 50 7.883 -5.122 -5.218 1.00 1.21 H new ATOM 0 HG2 GLU A 50 6.673 -3.093 -4.985 1.00 63.42 H new ATOM 0 HG3 GLU A 50 6.995 -2.604 -6.637 1.00 63.42 H new ATOM 732 N LEU A 51 9.400 -1.436 -5.325 1.00 34.25 N ATOM 733 CA LEU A 51 9.443 -0.340 -4.363 1.00 52.11 C ATOM 734 C LEU A 51 8.109 0.399 -4.319 1.00 61.13 C ATOM 735 O LEU A 51 7.860 1.327 -5.089 1.00 72.33 O ATOM 736 CB LEU A 51 10.567 0.634 -4.721 1.00 12.14 C ATOM 737 CG LEU A 51 11.912 0.003 -5.081 1.00 3.22 C ATOM 738 CD1 LEU A 51 12.915 1.075 -5.480 1.00 13.03 C ATOM 739 CD2 LEU A 51 12.444 -0.820 -3.917 1.00 20.13 C ATOM 0 H LEU A 51 9.405 -1.141 -6.301 1.00 34.25 H new ATOM 0 HA LEU A 51 9.636 -0.762 -3.377 1.00 52.11 H new ATOM 0 HB2 LEU A 51 10.238 1.244 -5.562 1.00 12.14 H new ATOM 0 HB3 LEU A 51 10.719 1.308 -3.878 1.00 12.14 H new ATOM 0 HG LEU A 51 11.763 -0.662 -5.932 1.00 3.22 H new ATOM 0 HD11 LEU A 51 13.866 0.607 -5.733 1.00 13.03 H new ATOM 0 HD12 LEU A 51 12.539 1.622 -6.344 1.00 13.03 H new ATOM 0 HD13 LEU A 51 13.060 1.765 -4.649 1.00 13.03 H new ATOM 0 HD21 LEU A 51 13.402 -1.262 -4.191 1.00 20.13 H new ATOM 0 HD22 LEU A 51 12.577 -0.177 -3.047 1.00 20.13 H new ATOM 0 HD23 LEU A 51 11.735 -1.612 -3.677 1.00 20.13 H new ATOM 751 N PRO A 52 7.231 -0.019 -3.396 1.00 32.23 N ATOM 752 CA PRO A 52 5.909 0.591 -3.227 1.00 54.12 C ATOM 753 C PRO A 52 5.990 2.001 -2.653 1.00 50.42 C ATOM 754 O PRO A 52 6.963 2.356 -1.987 1.00 60.42 O ATOM 755 CB PRO A 52 5.208 -0.348 -2.242 1.00 53.40 C ATOM 756 CG PRO A 52 6.314 -0.992 -1.481 1.00 30.35 C ATOM 757 CD PRO A 52 7.461 -1.119 -2.445 1.00 20.45 C ATOM 0 HA PRO A 52 5.387 0.701 -4.177 1.00 54.12 H new ATOM 0 HB2 PRO A 52 4.539 0.201 -1.580 1.00 53.40 H new ATOM 0 HB3 PRO A 52 4.603 -1.089 -2.764 1.00 53.40 H new ATOM 0 HG2 PRO A 52 6.595 -0.390 -0.617 1.00 30.35 H new ATOM 0 HG3 PRO A 52 6.011 -1.969 -1.104 1.00 30.35 H new ATOM 0 HD2 PRO A 52 8.422 -1.020 -1.941 1.00 20.45 H new ATOM 0 HD3 PRO A 52 7.461 -2.088 -2.944 1.00 20.45 H new ATOM 765 N ASP A 53 4.963 2.802 -2.915 1.00 34.31 N ATOM 766 CA ASP A 53 4.917 4.174 -2.423 1.00 23.33 C ATOM 767 C ASP A 53 6.066 4.996 -2.998 1.00 62.24 C ATOM 768 O ASP A 53 6.504 5.977 -2.397 1.00 55.12 O ATOM 769 CB ASP A 53 4.976 4.192 -0.894 1.00 44.04 C ATOM 770 CG ASP A 53 4.033 3.185 -0.266 1.00 50.15 C ATOM 771 OD1 ASP A 53 4.457 2.031 -0.046 1.00 3.21 O ATOM 772 OD2 ASP A 53 2.871 3.551 0.005 1.00 14.13 O ATOM 0 H ASP A 53 4.151 2.525 -3.466 1.00 34.31 H new ATOM 0 HA ASP A 53 3.977 4.619 -2.748 1.00 23.33 H new ATOM 0 HB2 ASP A 53 5.995 3.982 -0.570 1.00 44.04 H new ATOM 0 HB3 ASP A 53 4.727 5.191 -0.536 1.00 44.04 H new ATOM 777 N VAL A 54 6.552 4.588 -4.167 1.00 33.13 N ATOM 778 CA VAL A 54 7.650 5.286 -4.824 1.00 11.30 C ATOM 779 C VAL A 54 7.189 5.933 -6.126 1.00 23.43 C ATOM 780 O VAL A 54 6.349 5.384 -6.838 1.00 41.33 O ATOM 781 CB VAL A 54 8.822 4.333 -5.124 1.00 0.14 C ATOM 782 CG1 VAL A 54 9.941 5.072 -5.841 1.00 62.14 C ATOM 783 CG2 VAL A 54 9.331 3.695 -3.840 1.00 12.02 C ATOM 0 H VAL A 54 6.202 3.777 -4.678 1.00 33.13 H new ATOM 0 HA VAL A 54 7.989 6.061 -4.136 1.00 11.30 H new ATOM 0 HB VAL A 54 8.464 3.540 -5.780 1.00 0.14 H new ATOM 0 HG11 VAL A 54 10.760 4.383 -6.045 1.00 62.14 H new ATOM 0 HG12 VAL A 54 9.566 5.477 -6.781 1.00 62.14 H new ATOM 0 HG13 VAL A 54 10.300 5.887 -5.212 1.00 62.14 H new ATOM 0 HG21 VAL A 54 10.159 3.025 -4.070 1.00 12.02 H new ATOM 0 HG22 VAL A 54 9.673 4.473 -3.158 1.00 12.02 H new ATOM 0 HG23 VAL A 54 8.526 3.129 -3.371 1.00 12.02 H new