USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 60 THR OG1 : rot 105:sc= 1.83 USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0.515 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -155:sc= -1.19! USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.797 K(o=-0.8,f=-4.9!) USER MOD Single : A 26 MET CE :methyl -163:sc= 0 (180deg=-0.242) USER MOD Single : A 35 THR OG1 : rot 170:sc= -2.44 USER MOD Single : A 48 GLN : amide:sc= -3.74! C(o=-3.7!,f=-8.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00193 USER MOD Single : A 62 THR OG1 : rot 44:sc= 0.797 USER MOD Single : A 74 THR OG1 : rot -50:sc= -5.59! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.086) USER MOD Single : A 94 THR OG1 : rot 160:sc= -1.39 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 2.709 -2.285 -0.255 1.00 13.53 N ATOM 2 CA ASP A 11 1.800 -1.894 0.817 1.00 25.35 C ATOM 3 C ASP A 11 0.378 -1.729 0.292 1.00 60.34 C ATOM 4 O ASP A 11 -0.560 -1.526 1.063 1.00 71.32 O ATOM 5 CB ASP A 11 2.272 -0.592 1.466 1.00 42.34 C ATOM 6 CG ASP A 11 1.806 0.635 0.706 1.00 65.22 C ATOM 7 OD1 ASP A 11 0.624 1.008 0.850 1.00 74.41 O ATOM 8 OD2 ASP A 11 2.625 1.221 -0.034 1.00 13.35 O ATOM 0 HA ASP A 11 1.801 -2.685 1.566 1.00 25.35 H new ATOM 0 HB2 ASP A 11 1.901 -0.544 2.490 1.00 42.34 H new ATOM 0 HB3 ASP A 11 3.361 -0.590 1.521 1.00 42.34 H new ATOM 13 N TYR A 12 0.226 -1.817 -1.025 1.00 52.30 N ATOM 14 CA TYR A 12 -1.082 -1.674 -1.654 1.00 44.44 C ATOM 15 C TYR A 12 -1.525 -2.986 -2.293 1.00 73.03 C ATOM 16 O TYR A 12 -0.812 -3.988 -2.240 1.00 43.22 O ATOM 17 CB TYR A 12 -1.045 -0.567 -2.710 1.00 5.24 C ATOM 18 CG TYR A 12 0.351 -0.229 -3.184 1.00 12.21 C ATOM 19 CD1 TYR A 12 1.151 0.658 -2.474 1.00 51.32 C ATOM 20 CD2 TYR A 12 0.869 -0.796 -4.342 1.00 12.43 C ATOM 21 CE1 TYR A 12 2.426 0.971 -2.904 1.00 22.20 C ATOM 22 CE2 TYR A 12 2.143 -0.490 -4.778 1.00 64.21 C ATOM 23 CZ TYR A 12 2.918 0.394 -4.056 1.00 61.41 C ATOM 24 OH TYR A 12 4.188 0.701 -4.488 1.00 53.52 O ATOM 0 H TYR A 12 0.992 -1.987 -1.677 1.00 52.30 H new ATOM 0 HA TYR A 12 -1.802 -1.406 -0.881 1.00 44.44 H new ATOM 0 HB2 TYR A 12 -1.646 -0.873 -3.566 1.00 5.24 H new ATOM 0 HB3 TYR A 12 -1.508 0.331 -2.300 1.00 5.24 H new ATOM 0 HD1 TYR A 12 0.770 1.110 -1.571 1.00 51.32 H new ATOM 0 HD2 TYR A 12 0.265 -1.488 -4.911 1.00 12.43 H new ATOM 0 HE1 TYR A 12 3.034 1.664 -2.341 1.00 22.20 H new ATOM 0 HE2 TYR A 12 2.531 -0.940 -5.680 1.00 64.21 H new ATOM 0 HH TYR A 12 4.381 0.209 -5.313 1.00 53.52 H new ATOM 34 N ASP A 13 -2.708 -2.972 -2.897 1.00 53.14 N ATOM 35 CA ASP A 13 -3.248 -4.160 -3.549 1.00 15.42 C ATOM 36 C ASP A 13 -3.429 -3.924 -5.045 1.00 42.02 C ATOM 37 O ASP A 13 -3.043 -4.757 -5.865 1.00 71.55 O ATOM 38 CB ASP A 13 -4.585 -4.551 -2.917 1.00 12.32 C ATOM 39 CG ASP A 13 -5.577 -3.404 -2.903 1.00 4.23 C ATOM 40 OD1 ASP A 13 -5.172 -2.273 -2.558 1.00 61.44 O ATOM 41 OD2 ASP A 13 -6.757 -3.636 -3.237 1.00 21.41 O ATOM 0 H ASP A 13 -3.312 -2.151 -2.949 1.00 53.14 H new ATOM 0 HA ASP A 13 -2.537 -4.975 -3.411 1.00 15.42 H new ATOM 0 HB2 ASP A 13 -5.012 -5.390 -3.467 1.00 12.32 H new ATOM 0 HB3 ASP A 13 -4.415 -4.893 -1.896 1.00 12.32 H new ATOM 46 N ILE A 14 -4.018 -2.785 -5.393 1.00 2.22 N ATOM 47 CA ILE A 14 -4.249 -2.440 -6.790 1.00 70.41 C ATOM 48 C ILE A 14 -3.833 -1.002 -7.078 1.00 4.11 C ATOM 49 O ILE A 14 -3.616 -0.199 -6.170 1.00 52.32 O ATOM 50 CB ILE A 14 -5.729 -2.622 -7.177 1.00 44.23 C ATOM 51 CG1 ILE A 14 -6.608 -2.639 -5.925 1.00 64.20 C ATOM 52 CG2 ILE A 14 -5.913 -3.902 -7.979 1.00 13.25 C ATOM 53 CD1 ILE A 14 -8.074 -2.402 -6.213 1.00 23.25 C ATOM 0 H ILE A 14 -4.344 -2.085 -4.726 1.00 2.22 H new ATOM 0 HA ILE A 14 -3.639 -3.118 -7.387 1.00 70.41 H new ATOM 0 HB ILE A 14 -6.033 -1.780 -7.799 1.00 44.23 H new ATOM 0 HG12 ILE A 14 -6.495 -3.601 -5.425 1.00 64.20 H new ATOM 0 HG13 ILE A 14 -6.254 -1.876 -5.232 1.00 64.20 H new ATOM 0 HG21 ILE A 14 -6.964 -4.017 -8.245 1.00 13.25 H new ATOM 0 HG22 ILE A 14 -5.312 -3.852 -8.887 1.00 13.25 H new ATOM 0 HG23 ILE A 14 -5.595 -4.755 -7.380 1.00 13.25 H new ATOM 0 HD11 ILE A 14 -8.637 -2.428 -5.280 1.00 23.25 H new ATOM 0 HD12 ILE A 14 -8.199 -1.428 -6.686 1.00 23.25 H new ATOM 0 HD13 ILE A 14 -8.444 -3.180 -6.881 1.00 23.25 H new ATOM 65 N PRO A 15 -3.719 -0.666 -8.372 1.00 22.45 N ATOM 66 CA PRO A 15 -3.330 0.677 -8.810 1.00 0.44 C ATOM 67 C PRO A 15 -4.415 1.713 -8.535 1.00 40.12 C ATOM 68 O PRO A 15 -4.226 2.905 -8.779 1.00 54.43 O ATOM 69 CB PRO A 15 -3.118 0.512 -10.316 1.00 63.34 C ATOM 70 CG PRO A 15 -3.970 -0.650 -10.694 1.00 33.24 C ATOM 71 CD PRO A 15 -3.962 -1.573 -9.506 1.00 45.13 C ATOM 0 HA PRO A 15 -2.450 1.040 -8.279 1.00 0.44 H new ATOM 0 HB2 PRO A 15 -3.412 1.411 -10.858 1.00 63.34 H new ATOM 0 HB3 PRO A 15 -2.070 0.327 -10.550 1.00 63.34 H new ATOM 0 HG2 PRO A 15 -4.984 -0.329 -10.932 1.00 33.24 H new ATOM 0 HG3 PRO A 15 -3.578 -1.150 -11.579 1.00 33.24 H new ATOM 0 HD2 PRO A 15 -4.909 -2.102 -9.402 1.00 45.13 H new ATOM 0 HD3 PRO A 15 -3.182 -2.330 -9.590 1.00 45.13 H new ATOM 79 N THR A 16 -5.553 1.251 -8.025 1.00 44.15 N ATOM 80 CA THR A 16 -6.668 2.137 -7.718 1.00 52.35 C ATOM 81 C THR A 16 -7.169 1.919 -6.295 1.00 64.43 C ATOM 82 O THR A 16 -8.224 1.321 -6.081 1.00 51.25 O ATOM 83 CB THR A 16 -7.837 1.929 -8.699 1.00 55.03 C ATOM 84 OG1 THR A 16 -7.965 0.540 -9.021 1.00 74.41 O ATOM 85 CG2 THR A 16 -7.625 2.732 -9.973 1.00 44.44 C ATOM 0 H THR A 16 -5.726 0.268 -7.816 1.00 44.15 H new ATOM 0 HA THR A 16 -6.297 3.157 -7.817 1.00 52.35 H new ATOM 0 HB THR A 16 -8.751 2.276 -8.218 1.00 55.03 H new ATOM 0 HG1 THR A 16 -8.711 0.416 -9.644 1.00 74.41 H new ATOM 0 HG21 THR A 16 -8.464 2.569 -10.650 1.00 44.44 H new ATOM 0 HG22 THR A 16 -7.558 3.792 -9.728 1.00 44.44 H new ATOM 0 HG23 THR A 16 -6.702 2.412 -10.456 1.00 44.44 H new ATOM 93 N THR A 17 -6.405 2.407 -5.323 1.00 23.54 N ATOM 94 CA THR A 17 -6.770 2.264 -3.919 1.00 75.11 C ATOM 95 C THR A 17 -7.476 3.514 -3.405 1.00 60.41 C ATOM 96 O THR A 17 -7.895 4.366 -4.187 1.00 40.21 O ATOM 97 CB THR A 17 -5.535 1.988 -3.042 1.00 2.33 C ATOM 98 OG1 THR A 17 -4.631 3.097 -3.106 1.00 41.04 O ATOM 99 CG2 THR A 17 -4.824 0.721 -3.491 1.00 63.14 C ATOM 0 H THR A 17 -5.529 2.905 -5.482 1.00 23.54 H new ATOM 0 HA THR A 17 -7.449 1.414 -3.854 1.00 75.11 H new ATOM 0 HB THR A 17 -5.870 1.852 -2.014 1.00 2.33 H new ATOM 0 HG1 THR A 17 -3.723 2.791 -2.903 1.00 41.04 H new ATOM 0 HG21 THR A 17 -3.955 0.547 -2.856 1.00 63.14 H new ATOM 0 HG22 THR A 17 -5.506 -0.126 -3.413 1.00 63.14 H new ATOM 0 HG23 THR A 17 -4.501 0.832 -4.526 1.00 63.14 H new ATOM 107 N GLU A 18 -7.603 3.616 -2.086 1.00 31.43 N ATOM 108 CA GLU A 18 -8.259 4.763 -1.468 1.00 63.55 C ATOM 109 C GLU A 18 -7.389 5.357 -0.364 1.00 35.42 C ATOM 110 O GLU A 18 -6.536 6.205 -0.620 1.00 21.32 O ATOM 111 CB GLU A 18 -9.619 4.355 -0.899 1.00 21.25 C ATOM 112 CG GLU A 18 -10.378 5.503 -0.255 1.00 22.15 C ATOM 113 CD GLU A 18 -11.867 5.235 -0.155 1.00 70.13 C ATOM 114 OE1 GLU A 18 -12.544 5.258 -1.204 1.00 74.24 O ATOM 115 OE2 GLU A 18 -12.355 5.003 0.970 1.00 20.33 O ATOM 0 H GLU A 18 -7.261 2.919 -1.425 1.00 31.43 H new ATOM 0 HA GLU A 18 -8.408 5.522 -2.236 1.00 63.55 H new ATOM 0 HB2 GLU A 18 -10.226 3.933 -1.699 1.00 21.25 H new ATOM 0 HB3 GLU A 18 -9.473 3.567 -0.160 1.00 21.25 H new ATOM 0 HG2 GLU A 18 -9.978 5.684 0.742 1.00 22.15 H new ATOM 0 HG3 GLU A 18 -10.214 6.412 -0.834 1.00 22.15 H new ATOM 122 N ASN A 19 -7.614 4.904 0.866 1.00 54.54 N ATOM 123 CA ASN A 19 -6.853 5.392 2.010 1.00 31.52 C ATOM 124 C ASN A 19 -5.423 4.861 1.978 1.00 31.32 C ATOM 125 O ASN A 19 -4.657 5.051 2.924 1.00 72.01 O ATOM 126 CB ASN A 19 -7.534 4.976 3.316 1.00 50.30 C ATOM 127 CG ASN A 19 -8.642 5.930 3.719 1.00 2.21 C ATOM 128 OD1 ASN A 19 -8.387 7.082 4.071 1.00 22.03 O ATOM 129 ND2 ASN A 19 -9.880 5.453 3.669 1.00 12.43 N ATOM 0 H ASN A 19 -8.316 4.201 1.095 1.00 54.54 H new ATOM 0 HA ASN A 19 -6.819 6.480 1.956 1.00 31.52 H new ATOM 0 HB2 ASN A 19 -7.945 3.972 3.205 1.00 50.30 H new ATOM 0 HB3 ASN A 19 -6.791 4.930 4.112 1.00 50.30 H new ATOM 0 HD21 ASN A 19 -10.667 6.048 3.928 1.00 12.43 H new ATOM 0 HD22 ASN A 19 -10.044 4.491 3.371 1.00 12.43 H new ATOM 136 N LEU A 20 -5.070 4.195 0.884 1.00 24.04 N ATOM 137 CA LEU A 20 -3.731 3.637 0.728 1.00 70.43 C ATOM 138 C LEU A 20 -2.763 4.686 0.191 1.00 4.03 C ATOM 139 O LEU A 20 -1.599 4.733 0.591 1.00 50.51 O ATOM 140 CB LEU A 20 -3.767 2.431 -0.213 1.00 42.02 C ATOM 141 CG LEU A 20 -4.166 1.097 0.420 1.00 44.43 C ATOM 142 CD1 LEU A 20 -5.593 1.160 0.942 1.00 64.34 C ATOM 143 CD2 LEU A 20 -4.012 -0.036 -0.584 1.00 22.32 C ATOM 0 H LEU A 20 -5.692 4.028 0.093 1.00 24.04 H new ATOM 0 HA LEU A 20 -3.381 3.315 1.709 1.00 70.43 H new ATOM 0 HB2 LEU A 20 -4.463 2.648 -1.023 1.00 42.02 H new ATOM 0 HB3 LEU A 20 -2.781 2.316 -0.662 1.00 42.02 H new ATOM 0 HG LEU A 20 -3.502 0.902 1.262 1.00 44.43 H new ATOM 0 HD11 LEU A 20 -5.860 0.202 1.389 1.00 64.34 H new ATOM 0 HD12 LEU A 20 -5.671 1.945 1.694 1.00 64.34 H new ATOM 0 HD13 LEU A 20 -6.273 1.378 0.118 1.00 64.34 H new ATOM 0 HD21 LEU A 20 -4.300 -0.978 -0.117 1.00 22.32 H new ATOM 0 HD22 LEU A 20 -4.652 0.152 -1.446 1.00 22.32 H new ATOM 0 HD23 LEU A 20 -2.973 -0.095 -0.909 1.00 22.32 H new ATOM 155 N TYR A 21 -3.251 5.526 -0.714 1.00 13.52 N ATOM 156 CA TYR A 21 -2.429 6.575 -1.305 1.00 52.51 C ATOM 157 C TYR A 21 -2.372 7.800 -0.397 1.00 21.12 C ATOM 158 O TYR A 21 -1.786 8.823 -0.751 1.00 12.42 O ATOM 159 CB TYR A 21 -2.978 6.970 -2.677 1.00 61.14 C ATOM 160 CG TYR A 21 -4.402 7.478 -2.637 1.00 65.31 C ATOM 161 CD1 TYR A 21 -4.712 8.684 -2.021 1.00 34.33 C ATOM 162 CD2 TYR A 21 -5.436 6.751 -3.214 1.00 42.53 C ATOM 163 CE1 TYR A 21 -6.012 9.151 -1.981 1.00 3.42 C ATOM 164 CE2 TYR A 21 -6.738 7.212 -3.180 1.00 43.14 C ATOM 165 CZ TYR A 21 -7.021 8.412 -2.562 1.00 44.34 C ATOM 166 OH TYR A 21 -8.316 8.874 -2.525 1.00 74.03 O ATOM 0 H TYR A 21 -4.212 5.501 -1.055 1.00 13.52 H new ATOM 0 HA TYR A 21 -1.418 6.185 -1.423 1.00 52.51 H new ATOM 0 HB2 TYR A 21 -2.338 7.741 -3.107 1.00 61.14 H new ATOM 0 HB3 TYR A 21 -2.928 6.107 -3.341 1.00 61.14 H new ATOM 0 HD1 TYR A 21 -3.924 9.266 -1.566 1.00 34.33 H new ATOM 0 HD2 TYR A 21 -5.218 5.810 -3.697 1.00 42.53 H new ATOM 0 HE1 TYR A 21 -6.237 10.090 -1.497 1.00 3.42 H new ATOM 0 HE2 TYR A 21 -7.530 6.636 -3.635 1.00 43.14 H new ATOM 0 HH TYR A 21 -8.904 8.236 -2.980 1.00 74.03 H new ATOM 176 N PHE A 22 -2.984 7.687 0.777 1.00 33.42 N ATOM 177 CA PHE A 22 -3.004 8.783 1.738 1.00 13.40 C ATOM 178 C PHE A 22 -1.966 8.565 2.834 1.00 5.22 C ATOM 179 O PHE A 22 -1.141 9.438 3.104 1.00 63.24 O ATOM 180 CB PHE A 22 -4.396 8.920 2.359 1.00 52.43 C ATOM 181 CG PHE A 22 -5.194 10.062 1.796 1.00 63.01 C ATOM 182 CD1 PHE A 22 -4.687 11.351 1.809 1.00 1.41 C ATOM 183 CD2 PHE A 22 -6.451 9.846 1.254 1.00 25.42 C ATOM 184 CE1 PHE A 22 -5.418 12.404 1.292 1.00 51.23 C ATOM 185 CE2 PHE A 22 -7.186 10.894 0.735 1.00 10.30 C ATOM 186 CZ PHE A 22 -6.670 12.175 0.755 1.00 42.21 C ATOM 0 H PHE A 22 -3.473 6.847 1.086 1.00 33.42 H new ATOM 0 HA PHE A 22 -2.758 9.703 1.207 1.00 13.40 H new ATOM 0 HB2 PHE A 22 -4.947 7.992 2.205 1.00 52.43 H new ATOM 0 HB3 PHE A 22 -4.293 9.055 3.436 1.00 52.43 H new ATOM 0 HD1 PHE A 22 -3.709 11.535 2.228 1.00 1.41 H new ATOM 0 HD2 PHE A 22 -6.861 8.847 1.237 1.00 25.42 H new ATOM 0 HE1 PHE A 22 -5.011 13.404 1.308 1.00 51.23 H new ATOM 0 HE2 PHE A 22 -8.164 10.712 0.314 1.00 10.30 H new ATOM 0 HZ PHE A 22 -7.244 12.996 0.352 1.00 42.21 H new ATOM 196 N GLN A 23 -2.014 7.395 3.462 1.00 21.05 N ATOM 197 CA GLN A 23 -1.078 7.062 4.530 1.00 12.52 C ATOM 198 C GLN A 23 0.278 6.660 3.960 1.00 72.11 C ATOM 199 O GLN A 23 1.316 6.895 4.576 1.00 22.12 O ATOM 200 CB GLN A 23 -1.638 5.931 5.394 1.00 60.45 C ATOM 201 CG GLN A 23 -3.101 6.115 5.765 1.00 45.11 C ATOM 202 CD GLN A 23 -3.364 7.436 6.461 1.00 22.43 C ATOM 203 OE1 GLN A 23 -3.194 8.505 5.875 1.00 70.24 O ATOM 204 NE2 GLN A 23 -3.781 7.368 7.720 1.00 12.41 N ATOM 0 H GLN A 23 -2.691 6.662 3.250 1.00 21.05 H new ATOM 0 HA GLN A 23 -0.942 7.949 5.149 1.00 12.52 H new ATOM 0 HB2 GLN A 23 -1.523 4.987 4.861 1.00 60.45 H new ATOM 0 HB3 GLN A 23 -1.047 5.856 6.307 1.00 60.45 H new ATOM 0 HG2 GLN A 23 -3.711 6.056 4.864 1.00 45.11 H new ATOM 0 HG3 GLN A 23 -3.413 5.298 6.415 1.00 45.11 H new ATOM 0 HE21 GLN A 23 -3.908 6.460 8.167 1.00 12.41 H new ATOM 0 HE22 GLN A 23 -3.974 8.224 8.240 1.00 12.41 H new ATOM 213 N GLY A 24 0.260 6.051 2.778 1.00 62.01 N ATOM 214 CA GLY A 24 1.494 5.625 2.145 1.00 65.15 C ATOM 215 C GLY A 24 2.591 6.666 2.252 1.00 11.12 C ATOM 216 O GLY A 24 3.749 6.334 2.505 1.00 14.10 O ATOM 0 H GLY A 24 -0.587 5.845 2.248 1.00 62.01 H new ATOM 0 HA2 GLY A 24 1.833 4.697 2.605 1.00 65.15 H new ATOM 0 HA3 GLY A 24 1.304 5.409 1.094 1.00 65.15 H new ATOM 220 N ALA A 25 2.226 7.929 2.058 1.00 3.34 N ATOM 221 CA ALA A 25 3.188 9.022 2.135 1.00 14.35 C ATOM 222 C ALA A 25 3.969 8.975 3.444 1.00 63.41 C ATOM 223 O ALA A 25 5.193 8.843 3.442 1.00 12.22 O ATOM 224 CB ALA A 25 2.478 10.360 1.991 1.00 40.42 C ATOM 0 H ALA A 25 1.272 8.221 1.846 1.00 3.34 H new ATOM 0 HA ALA A 25 3.897 8.908 1.315 1.00 14.35 H new ATOM 0 HB1 ALA A 25 3.208 11.167 2.050 1.00 40.42 H new ATOM 0 HB2 ALA A 25 1.970 10.400 1.028 1.00 40.42 H new ATOM 0 HB3 ALA A 25 1.747 10.472 2.792 1.00 40.42 H new ATOM 230 N MET A 26 3.255 9.083 4.559 1.00 35.11 N ATOM 231 CA MET A 26 3.883 9.052 5.875 1.00 75.51 C ATOM 232 C MET A 26 4.421 7.659 6.187 1.00 32.13 C ATOM 233 O MET A 26 5.119 7.462 7.181 1.00 24.00 O ATOM 234 CB MET A 26 2.882 9.478 6.951 1.00 23.33 C ATOM 235 CG MET A 26 1.924 8.372 7.362 1.00 32.13 C ATOM 236 SD MET A 26 0.215 8.938 7.469 1.00 22.24 S ATOM 237 CE MET A 26 0.372 10.265 8.662 1.00 44.01 C ATOM 0 H MET A 26 2.241 9.193 4.578 1.00 35.11 H new ATOM 0 HA MET A 26 4.718 9.752 5.869 1.00 75.51 H new ATOM 0 HB2 MET A 26 3.429 9.819 7.830 1.00 23.33 H new ATOM 0 HB3 MET A 26 2.307 10.328 6.584 1.00 23.33 H new ATOM 0 HG2 MET A 26 1.988 7.555 6.643 1.00 32.13 H new ATOM 0 HG3 MET A 26 2.231 7.971 8.328 1.00 32.13 H new ATOM 0 HE1 MET A 26 -0.611 10.514 9.061 1.00 44.01 H new ATOM 0 HE2 MET A 26 1.024 9.947 9.476 1.00 44.01 H new ATOM 0 HE3 MET A 26 0.799 11.142 8.176 1.00 44.01 H new ATOM 247 N ALA A 27 4.091 6.696 5.333 1.00 54.24 N ATOM 248 CA ALA A 27 4.542 5.323 5.517 1.00 25.21 C ATOM 249 C ALA A 27 5.890 5.093 4.842 1.00 5.13 C ATOM 250 O ALA A 27 6.709 4.307 5.320 1.00 43.50 O ATOM 251 CB ALA A 27 3.506 4.349 4.976 1.00 43.02 C ATOM 0 H ALA A 27 3.512 6.842 4.506 1.00 54.24 H new ATOM 0 HA ALA A 27 4.665 5.148 6.586 1.00 25.21 H new ATOM 0 HB1 ALA A 27 3.857 3.327 5.120 1.00 43.02 H new ATOM 0 HB2 ALA A 27 2.564 4.488 5.507 1.00 43.02 H new ATOM 0 HB3 ALA A 27 3.354 4.533 3.913 1.00 43.02 H new ATOM 257 N PHE A 28 6.115 5.783 3.729 1.00 74.33 N ATOM 258 CA PHE A 28 7.363 5.652 2.987 1.00 43.31 C ATOM 259 C PHE A 28 8.495 6.394 3.693 1.00 61.53 C ATOM 260 O PHE A 28 9.251 7.136 3.066 1.00 63.33 O ATOM 261 CB PHE A 28 7.195 6.191 1.565 1.00 71.44 C ATOM 262 CG PHE A 28 5.966 5.677 0.871 1.00 70.33 C ATOM 263 CD1 PHE A 28 5.493 4.400 1.127 1.00 74.22 C ATOM 264 CD2 PHE A 28 5.284 6.470 -0.037 1.00 52.42 C ATOM 265 CE1 PHE A 28 4.363 3.924 0.489 1.00 15.30 C ATOM 266 CE2 PHE A 28 4.153 6.000 -0.678 1.00 13.42 C ATOM 267 CZ PHE A 28 3.691 4.726 -0.413 1.00 60.14 C ATOM 0 H PHE A 28 5.449 6.439 3.321 1.00 74.33 H new ATOM 0 HA PHE A 28 7.619 4.594 2.939 1.00 43.31 H new ATOM 0 HB2 PHE A 28 7.154 7.280 1.600 1.00 71.44 H new ATOM 0 HB3 PHE A 28 8.073 5.924 0.977 1.00 71.44 H new ATOM 0 HD1 PHE A 28 6.013 3.770 1.833 1.00 74.22 H new ATOM 0 HD2 PHE A 28 5.640 7.468 -0.247 1.00 52.42 H new ATOM 0 HE1 PHE A 28 4.006 2.926 0.695 1.00 15.30 H new ATOM 0 HE2 PHE A 28 3.632 6.628 -1.385 1.00 13.42 H new ATOM 0 HZ PHE A 28 2.806 4.357 -0.910 1.00 60.14 H new ATOM 277 N ASP A 29 8.604 6.187 5.000 1.00 1.14 N ATOM 278 CA ASP A 29 9.643 6.835 5.793 1.00 62.34 C ATOM 279 C ASP A 29 10.333 5.830 6.710 1.00 34.32 C ATOM 280 O ASP A 29 11.465 5.419 6.459 1.00 74.14 O ATOM 281 CB ASP A 29 9.047 7.975 6.620 1.00 24.43 C ATOM 282 CG ASP A 29 9.383 9.339 6.052 1.00 4.44 C ATOM 283 OD1 ASP A 29 9.539 9.447 4.818 1.00 64.33 O ATOM 284 OD2 ASP A 29 9.490 10.301 6.842 1.00 35.53 O ATOM 0 H ASP A 29 7.986 5.576 5.534 1.00 1.14 H new ATOM 0 HA ASP A 29 10.386 7.244 5.109 1.00 62.34 H new ATOM 0 HB2 ASP A 29 7.964 7.860 6.665 1.00 24.43 H new ATOM 0 HB3 ASP A 29 9.417 7.910 7.643 1.00 24.43 H new ATOM 289 N GLY A 30 9.641 5.438 7.777 1.00 45.43 N ATOM 290 CA GLY A 30 10.204 4.486 8.716 1.00 34.12 C ATOM 291 C GLY A 30 9.265 3.331 9.002 1.00 32.50 C ATOM 292 O GLY A 30 9.440 2.608 9.983 1.00 45.52 O ATOM 0 H GLY A 30 8.702 5.763 8.007 1.00 45.43 H new ATOM 0 HA2 GLY A 30 11.142 4.098 8.318 1.00 34.12 H new ATOM 0 HA3 GLY A 30 10.441 4.997 9.649 1.00 34.12 H new ATOM 296 N GLU A 31 8.264 3.157 8.144 1.00 24.40 N ATOM 297 CA GLU A 31 7.293 2.082 8.312 1.00 62.02 C ATOM 298 C GLU A 31 7.991 0.729 8.412 1.00 21.31 C ATOM 299 O GLU A 31 9.186 0.612 8.138 1.00 54.45 O ATOM 300 CB GLU A 31 6.303 2.072 7.145 1.00 43.40 C ATOM 301 CG GLU A 31 6.892 1.535 5.852 1.00 63.14 C ATOM 302 CD GLU A 31 5.965 1.722 4.666 1.00 21.44 C ATOM 303 OE1 GLU A 31 4.736 1.789 4.880 1.00 23.41 O ATOM 304 OE2 GLU A 31 6.467 1.800 3.526 1.00 44.50 O ATOM 0 H GLU A 31 8.105 3.746 7.327 1.00 24.40 H new ATOM 0 HA GLU A 31 6.749 2.260 9.240 1.00 62.02 H new ATOM 0 HB2 GLU A 31 5.438 1.468 7.419 1.00 43.40 H new ATOM 0 HB3 GLU A 31 5.943 3.087 6.976 1.00 43.40 H new ATOM 0 HG2 GLU A 31 7.838 2.038 5.652 1.00 63.14 H new ATOM 0 HG3 GLU A 31 7.114 0.474 5.971 1.00 63.14 H new ATOM 311 N ASP A 32 7.237 -0.291 8.808 1.00 62.01 N ATOM 312 CA ASP A 32 7.782 -1.637 8.945 1.00 40.24 C ATOM 313 C ASP A 32 6.891 -2.658 8.244 1.00 50.55 C ATOM 314 O ASP A 32 6.020 -2.295 7.453 1.00 20.54 O ATOM 315 CB ASP A 32 7.932 -2.002 10.422 1.00 11.23 C ATOM 316 CG ASP A 32 9.177 -2.824 10.692 1.00 12.33 C ATOM 317 OD1 ASP A 32 10.268 -2.227 10.808 1.00 75.10 O ATOM 318 OD2 ASP A 32 9.061 -4.064 10.787 1.00 14.20 O ATOM 0 H ASP A 32 6.247 -0.211 9.040 1.00 62.01 H new ATOM 0 HA ASP A 32 8.764 -1.654 8.473 1.00 40.24 H new ATOM 0 HB2 ASP A 32 7.967 -1.089 11.017 1.00 11.23 H new ATOM 0 HB3 ASP A 32 7.054 -2.561 10.746 1.00 11.23 H new ATOM 323 N GLU A 33 7.117 -3.934 8.538 1.00 32.02 N ATOM 324 CA GLU A 33 6.335 -5.007 7.934 1.00 1.40 C ATOM 325 C GLU A 33 5.786 -5.948 9.002 1.00 14.43 C ATOM 326 O GLU A 33 6.543 -6.552 9.762 1.00 34.01 O ATOM 327 CB GLU A 33 7.190 -5.792 6.938 1.00 64.22 C ATOM 328 CG GLU A 33 7.885 -4.916 5.908 1.00 33.54 C ATOM 329 CD GLU A 33 8.846 -5.696 5.032 1.00 21.15 C ATOM 330 OE1 GLU A 33 8.923 -6.933 5.189 1.00 53.51 O ATOM 331 OE2 GLU A 33 9.522 -5.069 4.190 1.00 11.20 O ATOM 0 H GLU A 33 7.835 -4.250 9.190 1.00 32.02 H new ATOM 0 HA GLU A 33 5.495 -4.556 7.405 1.00 1.40 H new ATOM 0 HB2 GLU A 33 7.942 -6.360 7.486 1.00 64.22 H new ATOM 0 HB3 GLU A 33 6.559 -6.515 6.421 1.00 64.22 H new ATOM 0 HG2 GLU A 33 7.135 -4.436 5.280 1.00 33.54 H new ATOM 0 HG3 GLU A 33 8.429 -4.122 6.420 1.00 33.54 H new ATOM 338 N VAL A 34 4.463 -6.066 9.055 1.00 54.14 N ATOM 339 CA VAL A 34 3.810 -6.933 10.029 1.00 45.14 C ATOM 340 C VAL A 34 3.986 -8.402 9.661 1.00 24.02 C ATOM 341 O VAL A 34 4.323 -8.734 8.524 1.00 53.21 O ATOM 342 CB VAL A 34 2.307 -6.620 10.141 1.00 54.33 C ATOM 343 CG1 VAL A 34 1.669 -7.449 11.245 1.00 61.32 C ATOM 344 CG2 VAL A 34 2.089 -5.134 10.386 1.00 61.14 C ATOM 0 H VAL A 34 3.822 -5.572 8.434 1.00 54.14 H new ATOM 0 HA VAL A 34 4.285 -6.742 10.991 1.00 45.14 H new ATOM 0 HB VAL A 34 1.828 -6.884 9.198 1.00 54.33 H new ATOM 0 HG11 VAL A 34 0.607 -7.214 11.309 1.00 61.32 H new ATOM 0 HG12 VAL A 34 1.793 -8.509 11.022 1.00 61.32 H new ATOM 0 HG13 VAL A 34 2.149 -7.219 12.196 1.00 61.32 H new ATOM 0 HG21 VAL A 34 1.021 -4.931 10.463 1.00 61.14 H new ATOM 0 HG22 VAL A 34 2.581 -4.842 11.314 1.00 61.14 H new ATOM 0 HG23 VAL A 34 2.508 -4.563 9.558 1.00 61.14 H new ATOM 354 N THR A 35 3.756 -9.281 10.632 1.00 43.11 N ATOM 355 CA THR A 35 3.890 -10.715 10.412 1.00 73.44 C ATOM 356 C THR A 35 2.562 -11.332 9.986 1.00 22.23 C ATOM 357 O THR A 35 2.497 -12.075 9.008 1.00 32.42 O ATOM 358 CB THR A 35 4.394 -11.434 11.677 1.00 5.43 C ATOM 359 OG1 THR A 35 3.430 -11.310 12.728 1.00 33.22 O ATOM 360 CG2 THR A 35 5.725 -10.855 12.133 1.00 4.04 C ATOM 0 H THR A 35 3.476 -9.024 11.579 1.00 43.11 H new ATOM 0 HA THR A 35 4.621 -10.845 9.614 1.00 73.44 H new ATOM 0 HB THR A 35 4.536 -12.488 11.437 1.00 5.43 H new ATOM 0 HG1 THR A 35 3.678 -11.899 13.471 1.00 33.22 H new ATOM 0 HG21 THR A 35 6.062 -11.378 13.028 1.00 4.04 H new ATOM 0 HG22 THR A 35 6.465 -10.976 11.342 1.00 4.04 H new ATOM 0 HG23 THR A 35 5.603 -9.795 12.356 1.00 4.04 H new ATOM 368 N GLY A 36 1.504 -11.018 10.728 1.00 22.11 N ATOM 369 CA GLY A 36 0.192 -11.550 10.411 1.00 33.11 C ATOM 370 C GLY A 36 -0.888 -11.017 11.332 1.00 22.21 C ATOM 371 O GLY A 36 -1.803 -10.311 10.908 1.00 61.22 O ATOM 0 H GLY A 36 1.533 -10.405 11.543 1.00 22.11 H new ATOM 0 HA2 GLY A 36 -0.058 -11.300 9.380 1.00 33.11 H new ATOM 0 HA3 GLY A 36 0.218 -12.638 10.478 1.00 33.11 H new ATOM 375 N PRO A 37 -0.789 -11.359 12.626 1.00 52.55 N ATOM 376 CA PRO A 37 -1.757 -10.921 13.636 1.00 73.23 C ATOM 377 C PRO A 37 -1.661 -9.426 13.922 1.00 74.54 C ATOM 378 O PRO A 37 -0.591 -8.830 13.804 1.00 0.33 O ATOM 379 CB PRO A 37 -1.366 -11.729 14.875 1.00 24.05 C ATOM 380 CG PRO A 37 0.079 -12.041 14.684 1.00 54.50 C ATOM 381 CD PRO A 37 0.275 -12.197 13.201 1.00 24.25 C ATOM 0 HA PRO A 37 -2.785 -11.082 13.312 1.00 73.23 H new ATOM 0 HB2 PRO A 37 -1.530 -11.157 15.788 1.00 24.05 H new ATOM 0 HB3 PRO A 37 -1.960 -12.639 14.958 1.00 24.05 H new ATOM 0 HG2 PRO A 37 0.707 -11.242 15.079 1.00 54.50 H new ATOM 0 HG3 PRO A 37 0.355 -12.954 15.212 1.00 54.50 H new ATOM 0 HD2 PRO A 37 1.264 -11.861 12.889 1.00 24.25 H new ATOM 0 HD3 PRO A 37 0.179 -13.237 12.890 1.00 24.25 H new ATOM 389 N ASP A 38 -2.786 -8.828 14.298 1.00 50.44 N ATOM 390 CA ASP A 38 -2.828 -7.402 14.602 1.00 33.00 C ATOM 391 C ASP A 38 -1.865 -7.059 15.734 1.00 21.41 C ATOM 392 O ASP A 38 -1.320 -5.957 15.786 1.00 20.23 O ATOM 393 CB ASP A 38 -4.249 -6.981 14.980 1.00 33.41 C ATOM 394 CG ASP A 38 -4.952 -8.018 15.835 1.00 3.21 C ATOM 395 OD1 ASP A 38 -5.445 -9.017 15.271 1.00 30.22 O ATOM 396 OD2 ASP A 38 -5.007 -7.830 17.068 1.00 13.03 O ATOM 0 H ASP A 38 -3.680 -9.308 14.400 1.00 50.44 H new ATOM 0 HA ASP A 38 -2.521 -6.856 13.710 1.00 33.00 H new ATOM 0 HB2 ASP A 38 -4.213 -6.034 15.519 1.00 33.41 H new ATOM 0 HB3 ASP A 38 -4.828 -6.810 14.072 1.00 33.41 H new ATOM 401 N ALA A 39 -1.661 -8.011 16.639 1.00 22.00 N ATOM 402 CA ALA A 39 -0.763 -7.810 17.770 1.00 61.35 C ATOM 403 C ALA A 39 0.635 -7.423 17.298 1.00 32.14 C ATOM 404 O ALA A 39 1.367 -6.727 18.002 1.00 14.30 O ATOM 405 CB ALA A 39 -0.704 -9.066 18.626 1.00 31.33 C ATOM 0 H ALA A 39 -2.105 -8.929 16.611 1.00 22.00 H new ATOM 0 HA ALA A 39 -1.155 -6.991 18.373 1.00 61.35 H new ATOM 0 HB1 ALA A 39 -0.030 -8.902 19.467 1.00 31.33 H new ATOM 0 HB2 ALA A 39 -1.701 -9.298 19.000 1.00 31.33 H new ATOM 0 HB3 ALA A 39 -0.339 -9.899 18.025 1.00 31.33 H new ATOM 411 N ASP A 40 0.999 -7.879 16.105 1.00 22.32 N ATOM 412 CA ASP A 40 2.310 -7.580 15.540 1.00 72.11 C ATOM 413 C ASP A 40 2.340 -6.172 14.953 1.00 70.30 C ATOM 414 O ASP A 40 3.384 -5.520 14.932 1.00 61.44 O ATOM 415 CB ASP A 40 2.669 -8.603 14.462 1.00 64.44 C ATOM 416 CG ASP A 40 3.467 -9.769 15.013 1.00 72.24 C ATOM 417 OD1 ASP A 40 2.848 -10.707 15.558 1.00 73.02 O ATOM 418 OD2 ASP A 40 4.710 -9.744 14.898 1.00 71.11 O ATOM 0 H ASP A 40 0.405 -8.457 15.510 1.00 22.32 H new ATOM 0 HA ASP A 40 3.046 -7.636 16.342 1.00 72.11 H new ATOM 0 HB2 ASP A 40 1.755 -8.977 14.002 1.00 64.44 H new ATOM 0 HB3 ASP A 40 3.244 -8.112 13.676 1.00 64.44 H new ATOM 423 N ARG A 41 1.188 -5.710 14.477 1.00 64.52 N ATOM 424 CA ARG A 41 1.084 -4.381 13.887 1.00 35.14 C ATOM 425 C ARG A 41 1.263 -3.300 14.949 1.00 4.01 C ATOM 426 O ARG A 41 1.956 -2.308 14.727 1.00 3.53 O ATOM 427 CB ARG A 41 -0.271 -4.212 13.196 1.00 4.11 C ATOM 428 CG ARG A 41 -1.313 -3.521 14.060 1.00 73.22 C ATOM 429 CD ARG A 41 -2.676 -3.509 13.385 1.00 10.12 C ATOM 430 NE ARG A 41 -3.765 -3.658 14.347 1.00 25.33 N ATOM 431 CZ ARG A 41 -4.965 -4.132 14.032 1.00 64.35 C ATOM 432 NH1 ARG A 41 -5.228 -4.501 12.786 1.00 75.33 N ATOM 433 NH2 ARG A 41 -5.903 -4.238 14.963 1.00 35.51 N ATOM 0 H ARG A 41 0.314 -6.236 14.489 1.00 64.52 H new ATOM 0 HA ARG A 41 1.878 -4.275 13.147 1.00 35.14 H new ATOM 0 HB2 ARG A 41 -0.133 -3.638 12.279 1.00 4.11 H new ATOM 0 HB3 ARG A 41 -0.646 -5.193 12.905 1.00 4.11 H new ATOM 0 HG2 ARG A 41 -1.386 -4.030 15.021 1.00 73.22 H new ATOM 0 HG3 ARG A 41 -0.998 -2.498 14.264 1.00 73.22 H new ATOM 0 HD2 ARG A 41 -2.801 -2.575 12.838 1.00 10.12 H new ATOM 0 HD3 ARG A 41 -2.725 -4.316 12.654 1.00 10.12 H new ATOM 0 HE ARG A 41 -3.594 -3.383 15.314 1.00 25.33 H new ATOM 0 HH11 ARG A 41 -4.508 -4.421 12.068 1.00 75.33 H new ATOM 0 HH12 ARG A 41 -6.150 -4.865 12.546 1.00 75.33 H new ATOM 0 HH21 ARG A 41 -5.703 -3.955 15.923 1.00 35.51 H new ATOM 0 HH22 ARG A 41 -6.824 -4.602 14.720 1.00 35.51 H new ATOM 447 N ALA A 42 0.634 -3.500 16.102 1.00 11.14 N ATOM 448 CA ALA A 42 0.726 -2.543 17.198 1.00 35.55 C ATOM 449 C ALA A 42 2.086 -2.622 17.884 1.00 74.34 C ATOM 450 O ALA A 42 2.600 -1.620 18.380 1.00 21.10 O ATOM 451 CB ALA A 42 -0.389 -2.786 18.205 1.00 55.20 C ATOM 0 H ALA A 42 0.055 -4.316 16.302 1.00 11.14 H new ATOM 0 HA ALA A 42 0.615 -1.541 16.783 1.00 35.55 H new ATOM 0 HB1 ALA A 42 -0.308 -2.065 19.018 1.00 55.20 H new ATOM 0 HB2 ALA A 42 -1.355 -2.672 17.713 1.00 55.20 H new ATOM 0 HB3 ALA A 42 -0.303 -3.796 18.606 1.00 55.20 H new ATOM 457 N ARG A 43 2.662 -3.819 17.908 1.00 64.45 N ATOM 458 CA ARG A 43 3.962 -4.029 18.534 1.00 41.21 C ATOM 459 C ARG A 43 5.088 -3.540 17.627 1.00 13.31 C ATOM 460 O ARG A 43 6.046 -2.921 18.089 1.00 21.32 O ATOM 461 CB ARG A 43 4.162 -5.510 18.860 1.00 64.04 C ATOM 462 CG ARG A 43 4.815 -6.298 17.736 1.00 72.14 C ATOM 463 CD ARG A 43 4.871 -7.783 18.056 1.00 31.52 C ATOM 464 NE ARG A 43 5.744 -8.509 17.138 1.00 60.25 N ATOM 465 CZ ARG A 43 7.069 -8.411 17.151 1.00 53.14 C ATOM 466 NH1 ARG A 43 7.670 -7.622 18.031 1.00 54.04 N ATOM 467 NH2 ARG A 43 7.795 -9.103 16.282 1.00 21.35 N ATOM 0 H ARG A 43 2.249 -4.658 17.501 1.00 64.45 H new ATOM 0 HA ARG A 43 3.988 -3.454 19.459 1.00 41.21 H new ATOM 0 HB2 ARG A 43 4.775 -5.596 19.757 1.00 64.04 H new ATOM 0 HB3 ARG A 43 3.195 -5.956 19.091 1.00 64.04 H new ATOM 0 HG2 ARG A 43 4.258 -6.145 16.812 1.00 72.14 H new ATOM 0 HG3 ARG A 43 5.824 -5.923 17.566 1.00 72.14 H new ATOM 0 HD2 ARG A 43 5.225 -7.920 19.078 1.00 31.52 H new ATOM 0 HD3 ARG A 43 3.866 -8.202 18.008 1.00 31.52 H new ATOM 0 HE ARG A 43 5.313 -9.125 16.449 1.00 60.25 H new ATOM 0 HH11 ARG A 43 7.115 -7.088 18.700 1.00 54.04 H new ATOM 0 HH12 ARG A 43 8.687 -7.549 18.039 1.00 54.04 H new ATOM 0 HH21 ARG A 43 7.336 -9.711 15.603 1.00 21.35 H new ATOM 0 HH22 ARG A 43 8.812 -9.027 16.293 1.00 21.35 H new ATOM 481 N ALA A 44 4.964 -3.822 16.334 1.00 1.03 N ATOM 482 CA ALA A 44 5.970 -3.410 15.363 1.00 54.21 C ATOM 483 C ALA A 44 5.823 -1.932 15.015 1.00 63.44 C ATOM 484 O ALA A 44 6.728 -1.135 15.260 1.00 14.30 O ATOM 485 CB ALA A 44 5.871 -4.263 14.107 1.00 55.43 C ATOM 0 H ALA A 44 4.177 -4.334 15.935 1.00 1.03 H new ATOM 0 HA ALA A 44 6.953 -3.555 15.810 1.00 54.21 H new ATOM 0 HB1 ALA A 44 6.628 -3.945 13.390 1.00 55.43 H new ATOM 0 HB2 ALA A 44 6.033 -5.310 14.364 1.00 55.43 H new ATOM 0 HB3 ALA A 44 4.881 -4.147 13.665 1.00 55.43 H new ATOM 491 N ALA A 45 4.679 -1.575 14.441 1.00 61.14 N ATOM 492 CA ALA A 45 4.414 -0.193 14.060 1.00 65.22 C ATOM 493 C ALA A 45 4.666 0.756 15.227 1.00 73.41 C ATOM 494 O ALA A 45 4.881 1.951 15.032 1.00 53.44 O ATOM 495 CB ALA A 45 2.985 -0.049 13.558 1.00 45.43 C ATOM 0 H ALA A 45 3.921 -2.224 14.230 1.00 61.14 H new ATOM 0 HA ALA A 45 5.099 0.074 13.255 1.00 65.22 H new ATOM 0 HB1 ALA A 45 2.801 0.988 13.277 1.00 45.43 H new ATOM 0 HB2 ALA A 45 2.838 -0.692 12.690 1.00 45.43 H new ATOM 0 HB3 ALA A 45 2.291 -0.340 14.347 1.00 45.43 H new ATOM 501 N ALA A 46 4.636 0.214 16.440 1.00 3.43 N ATOM 502 CA ALA A 46 4.862 1.013 17.639 1.00 62.14 C ATOM 503 C ALA A 46 6.175 1.783 17.546 1.00 51.34 C ATOM 504 O ALA A 46 6.182 3.012 17.475 1.00 14.32 O ATOM 505 CB ALA A 46 4.856 0.125 18.874 1.00 73.52 C ATOM 0 H ALA A 46 4.458 -0.774 16.619 1.00 3.43 H new ATOM 0 HA ALA A 46 4.051 1.737 17.721 1.00 62.14 H new ATOM 0 HB1 ALA A 46 5.026 0.735 19.761 1.00 73.52 H new ATOM 0 HB2 ALA A 46 3.892 -0.376 18.957 1.00 73.52 H new ATOM 0 HB3 ALA A 46 5.646 -0.621 18.790 1.00 73.52 H new ATOM 511 N VAL A 47 7.286 1.053 17.546 1.00 33.04 N ATOM 512 CA VAL A 47 8.605 1.668 17.462 1.00 71.14 C ATOM 513 C VAL A 47 9.272 1.356 16.127 1.00 61.41 C ATOM 514 O VAL A 47 10.231 2.018 15.732 1.00 51.23 O ATOM 515 CB VAL A 47 9.521 1.191 18.605 1.00 52.43 C ATOM 516 CG1 VAL A 47 10.822 1.980 18.611 1.00 75.20 C ATOM 517 CG2 VAL A 47 8.808 1.312 19.943 1.00 21.02 C ATOM 0 H VAL A 47 7.299 0.035 17.603 1.00 33.04 H new ATOM 0 HA VAL A 47 8.459 2.745 17.549 1.00 71.14 H new ATOM 0 HB VAL A 47 9.762 0.141 18.441 1.00 52.43 H new ATOM 0 HG11 VAL A 47 11.456 1.629 19.425 1.00 75.20 H new ATOM 0 HG12 VAL A 47 11.338 1.838 17.662 1.00 75.20 H new ATOM 0 HG13 VAL A 47 10.605 3.039 18.751 1.00 75.20 H new ATOM 0 HG21 VAL A 47 9.469 0.971 20.740 1.00 21.02 H new ATOM 0 HG22 VAL A 47 8.536 2.353 20.118 1.00 21.02 H new ATOM 0 HG23 VAL A 47 7.907 0.699 19.932 1.00 21.02 H new ATOM 527 N GLN A 48 8.758 0.343 15.437 1.00 34.20 N ATOM 528 CA GLN A 48 9.304 -0.057 14.146 1.00 63.32 C ATOM 529 C GLN A 48 8.815 0.868 13.037 1.00 12.40 C ATOM 530 O GLN A 48 9.500 1.069 12.035 1.00 43.10 O ATOM 531 CB GLN A 48 8.915 -1.502 13.829 1.00 30.31 C ATOM 532 CG GLN A 48 9.223 -2.476 14.955 1.00 33.11 C ATOM 533 CD GLN A 48 9.052 -3.923 14.538 1.00 65.52 C ATOM 534 OE1 GLN A 48 8.744 -4.216 13.382 1.00 23.31 O ATOM 535 NE2 GLN A 48 9.253 -4.839 15.479 1.00 50.32 N ATOM 0 H GLN A 48 7.964 -0.216 15.751 1.00 34.20 H new ATOM 0 HA GLN A 48 10.390 0.016 14.202 1.00 63.32 H new ATOM 0 HB2 GLN A 48 7.849 -1.542 13.607 1.00 30.31 H new ATOM 0 HB3 GLN A 48 9.440 -1.822 12.929 1.00 30.31 H new ATOM 0 HG2 GLN A 48 10.246 -2.319 15.297 1.00 33.11 H new ATOM 0 HG3 GLN A 48 8.569 -2.266 15.801 1.00 33.11 H new ATOM 0 HE21 GLN A 48 9.507 -4.552 16.424 1.00 50.32 H new ATOM 0 HE22 GLN A 48 9.153 -5.829 15.256 1.00 50.32 H new ATOM 544 N ALA A 49 7.625 1.429 13.224 1.00 55.43 N ATOM 545 CA ALA A 49 7.044 2.335 12.240 1.00 2.11 C ATOM 546 C ALA A 49 7.033 3.770 12.755 1.00 51.52 C ATOM 547 O ALA A 49 6.757 4.707 12.005 1.00 12.33 O ATOM 548 CB ALA A 49 5.634 1.890 11.880 1.00 3.33 C ATOM 0 H ALA A 49 7.044 1.272 14.048 1.00 55.43 H new ATOM 0 HA ALA A 49 7.663 2.303 11.343 1.00 2.11 H new ATOM 0 HB1 ALA A 49 5.213 2.575 11.145 1.00 3.33 H new ATOM 0 HB2 ALA A 49 5.666 0.884 11.462 1.00 3.33 H new ATOM 0 HB3 ALA A 49 5.012 1.891 12.775 1.00 3.33 H new ATOM 554 N VAL A 50 7.334 3.936 14.039 1.00 41.21 N ATOM 555 CA VAL A 50 7.359 5.258 14.654 1.00 70.02 C ATOM 556 C VAL A 50 8.772 5.831 14.668 1.00 54.12 C ATOM 557 O VAL A 50 9.013 6.941 15.143 1.00 42.15 O ATOM 558 CB VAL A 50 6.819 5.216 16.096 1.00 44.31 C ATOM 559 CG1 VAL A 50 7.963 5.096 17.091 1.00 64.10 C ATOM 560 CG2 VAL A 50 5.978 6.450 16.385 1.00 13.02 C ATOM 0 H VAL A 50 7.564 3.171 14.674 1.00 41.21 H new ATOM 0 HA VAL A 50 6.716 5.900 14.052 1.00 70.02 H new ATOM 0 HB VAL A 50 6.183 4.337 16.202 1.00 44.31 H new ATOM 0 HG11 VAL A 50 7.562 5.068 18.104 1.00 64.10 H new ATOM 0 HG12 VAL A 50 8.521 4.180 16.896 1.00 64.10 H new ATOM 0 HG13 VAL A 50 8.627 5.954 16.987 1.00 64.10 H new ATOM 0 HG21 VAL A 50 5.604 6.404 17.408 1.00 13.02 H new ATOM 0 HG22 VAL A 50 6.589 7.344 16.262 1.00 13.02 H new ATOM 0 HG23 VAL A 50 5.137 6.487 15.693 1.00 13.02 H new ATOM 570 N PRO A 51 9.729 5.058 14.134 1.00 21.15 N ATOM 571 CA PRO A 51 11.135 5.468 14.072 1.00 10.54 C ATOM 572 C PRO A 51 11.364 6.605 13.082 1.00 71.34 C ATOM 573 O PRO A 51 12.296 7.393 13.231 1.00 1.53 O ATOM 574 CB PRO A 51 11.855 4.200 13.607 1.00 13.12 C ATOM 575 CG PRO A 51 10.819 3.427 12.867 1.00 72.14 C ATOM 576 CD PRO A 51 9.513 3.724 13.550 1.00 31.44 C ATOM 0 HA PRO A 51 11.491 5.849 15.029 1.00 10.54 H new ATOM 0 HB2 PRO A 51 12.704 4.439 12.966 1.00 13.12 H new ATOM 0 HB3 PRO A 51 12.244 3.633 14.453 1.00 13.12 H new ATOM 0 HG2 PRO A 51 10.787 3.722 11.818 1.00 72.14 H new ATOM 0 HG3 PRO A 51 11.038 2.359 12.891 1.00 72.14 H new ATOM 0 HD2 PRO A 51 8.682 3.724 12.845 1.00 31.44 H new ATOM 0 HD3 PRO A 51 9.282 2.983 14.315 1.00 31.44 H new ATOM 584 N GLY A 52 10.506 6.683 12.069 1.00 61.44 N ATOM 585 CA GLY A 52 10.632 7.726 11.068 1.00 3.32 C ATOM 586 C GLY A 52 9.933 9.008 11.476 1.00 24.02 C ATOM 587 O GLY A 52 10.529 10.084 11.447 1.00 12.25 O ATOM 0 H GLY A 52 9.726 6.042 11.924 1.00 61.44 H new ATOM 0 HA2 GLY A 52 11.688 7.931 10.893 1.00 3.32 H new ATOM 0 HA3 GLY A 52 10.215 7.373 10.125 1.00 3.32 H new ATOM 591 N GLY A 53 8.664 8.893 11.856 1.00 3.31 N ATOM 592 CA GLY A 53 7.904 10.060 12.264 1.00 11.02 C ATOM 593 C GLY A 53 6.612 9.693 12.967 1.00 52.32 C ATOM 594 O GLY A 53 6.179 10.386 13.889 1.00 75.54 O ATOM 0 H GLY A 53 8.149 8.013 11.889 1.00 3.31 H new ATOM 0 HA2 GLY A 53 8.514 10.673 12.928 1.00 11.02 H new ATOM 0 HA3 GLY A 53 7.678 10.667 11.388 1.00 11.02 H new ATOM 598 N THR A 54 5.992 8.601 12.530 1.00 13.22 N ATOM 599 CA THR A 54 4.740 8.145 13.121 1.00 0.11 C ATOM 600 C THR A 54 4.683 6.623 13.181 1.00 52.00 C ATOM 601 O THR A 54 5.228 5.938 12.316 1.00 34.53 O ATOM 602 CB THR A 54 3.524 8.663 12.330 1.00 71.41 C ATOM 603 OG1 THR A 54 3.721 10.034 11.969 1.00 5.24 O ATOM 604 CG2 THR A 54 2.249 8.527 13.148 1.00 75.41 C ATOM 0 H THR A 54 6.337 8.016 11.769 1.00 13.22 H new ATOM 0 HA THR A 54 4.703 8.547 14.133 1.00 0.11 H new ATOM 0 HB THR A 54 3.424 8.061 11.427 1.00 71.41 H new ATOM 0 HG1 THR A 54 2.944 10.355 11.465 1.00 5.24 H new ATOM 0 HG21 THR A 54 1.404 8.899 12.569 1.00 75.41 H new ATOM 0 HG22 THR A 54 2.086 7.478 13.395 1.00 75.41 H new ATOM 0 HG23 THR A 54 2.343 9.106 14.067 1.00 75.41 H new ATOM 612 N ALA A 55 4.019 6.100 14.207 1.00 51.42 N ATOM 613 CA ALA A 55 3.888 4.659 14.377 1.00 23.35 C ATOM 614 C ALA A 55 2.891 4.076 13.382 1.00 51.21 C ATOM 615 O ALA A 55 1.730 3.843 13.715 1.00 11.55 O ATOM 616 CB ALA A 55 3.467 4.332 15.802 1.00 33.14 C ATOM 0 H ALA A 55 3.564 6.653 14.933 1.00 51.42 H new ATOM 0 HA ALA A 55 4.860 4.206 14.184 1.00 23.35 H new ATOM 0 HB1 ALA A 55 3.373 3.252 15.915 1.00 33.14 H new ATOM 0 HB2 ALA A 55 4.218 4.706 16.498 1.00 33.14 H new ATOM 0 HB3 ALA A 55 2.508 4.804 16.015 1.00 33.14 H new ATOM 622 N GLY A 56 3.352 3.843 12.157 1.00 50.34 N ATOM 623 CA GLY A 56 2.487 3.291 11.131 1.00 34.40 C ATOM 624 C GLY A 56 3.225 2.361 10.188 1.00 1.42 C ATOM 625 O GLY A 56 3.879 2.812 9.248 1.00 11.55 O ATOM 0 H GLY A 56 4.309 4.027 11.857 1.00 50.34 H new ATOM 0 HA2 GLY A 56 1.668 2.749 11.604 1.00 34.40 H new ATOM 0 HA3 GLY A 56 2.042 4.105 10.559 1.00 34.40 H new ATOM 629 N GLU A 57 3.122 1.060 10.441 1.00 51.33 N ATOM 630 CA GLU A 57 3.788 0.066 9.608 1.00 42.03 C ATOM 631 C GLU A 57 2.813 -0.546 8.606 1.00 42.01 C ATOM 632 O GLU A 57 1.638 -0.183 8.565 1.00 14.24 O ATOM 633 CB GLU A 57 4.400 -1.034 10.478 1.00 14.11 C ATOM 634 CG GLU A 57 3.574 -2.309 10.517 1.00 40.12 C ATOM 635 CD GLU A 57 3.956 -3.216 11.670 1.00 35.14 C ATOM 636 OE1 GLU A 57 3.427 -3.014 12.784 1.00 55.44 O ATOM 637 OE2 GLU A 57 4.783 -4.128 11.461 1.00 55.23 O ATOM 0 H GLU A 57 2.584 0.670 11.215 1.00 51.33 H new ATOM 0 HA GLU A 57 4.583 0.567 9.056 1.00 42.03 H new ATOM 0 HB2 GLU A 57 5.397 -1.268 10.105 1.00 14.11 H new ATOM 0 HB3 GLU A 57 4.520 -0.658 11.494 1.00 14.11 H new ATOM 0 HG2 GLU A 57 2.518 -2.051 10.597 1.00 40.12 H new ATOM 0 HG3 GLU A 57 3.700 -2.848 9.578 1.00 40.12 H new ATOM 644 N VAL A 58 3.311 -1.477 7.798 1.00 33.00 N ATOM 645 CA VAL A 58 2.485 -2.141 6.796 1.00 12.53 C ATOM 646 C VAL A 58 2.339 -3.627 7.101 1.00 21.22 C ATOM 647 O VAL A 58 3.299 -4.285 7.502 1.00 73.14 O ATOM 648 CB VAL A 58 3.074 -1.973 5.383 1.00 54.21 C ATOM 649 CG1 VAL A 58 2.289 -2.800 4.376 1.00 64.40 C ATOM 650 CG2 VAL A 58 3.088 -0.505 4.983 1.00 23.21 C ATOM 0 H VAL A 58 4.282 -1.788 7.818 1.00 33.00 H new ATOM 0 HA VAL A 58 1.503 -1.668 6.831 1.00 12.53 H new ATOM 0 HB VAL A 58 4.102 -2.334 5.391 1.00 54.21 H new ATOM 0 HG11 VAL A 58 2.719 -2.669 3.383 1.00 64.40 H new ATOM 0 HG12 VAL A 58 2.335 -3.853 4.655 1.00 64.40 H new ATOM 0 HG13 VAL A 58 1.250 -2.472 4.367 1.00 64.40 H new ATOM 0 HG21 VAL A 58 3.507 -0.405 3.982 1.00 23.21 H new ATOM 0 HG22 VAL A 58 2.070 -0.116 4.991 1.00 23.21 H new ATOM 0 HG23 VAL A 58 3.697 0.059 5.690 1.00 23.21 H new ATOM 660 N GLU A 59 1.132 -4.150 6.908 1.00 1.22 N ATOM 661 CA GLU A 59 0.861 -5.560 7.163 1.00 3.23 C ATOM 662 C GLU A 59 0.701 -6.328 5.855 1.00 62.43 C ATOM 663 O GLU A 59 0.365 -5.752 4.819 1.00 32.44 O ATOM 664 CB GLU A 59 -0.400 -5.714 8.015 1.00 11.35 C ATOM 665 CG GLU A 59 -0.713 -7.154 8.386 1.00 43.25 C ATOM 666 CD GLU A 59 -1.547 -7.264 9.647 1.00 73.12 C ATOM 667 OE1 GLU A 59 -1.288 -6.497 10.598 1.00 23.40 O ATOM 668 OE2 GLU A 59 -2.459 -8.116 9.683 1.00 30.40 O ATOM 0 H GLU A 59 0.327 -3.619 6.576 1.00 1.22 H new ATOM 0 HA GLU A 59 1.710 -5.974 7.706 1.00 3.23 H new ATOM 0 HB2 GLU A 59 -0.285 -5.129 8.928 1.00 11.35 H new ATOM 0 HB3 GLU A 59 -1.248 -5.295 7.473 1.00 11.35 H new ATOM 0 HG2 GLU A 59 -1.243 -7.630 7.562 1.00 43.25 H new ATOM 0 HG3 GLU A 59 0.220 -7.701 8.523 1.00 43.25 H new ATOM 675 N THR A 60 0.945 -7.634 5.908 1.00 23.25 N ATOM 676 CA THR A 60 0.830 -8.482 4.729 1.00 65.41 C ATOM 677 C THR A 60 -0.032 -9.707 5.014 1.00 40.41 C ATOM 678 O THR A 60 0.366 -10.596 5.765 1.00 4.23 O ATOM 679 CB THR A 60 2.213 -8.947 4.234 1.00 3.40 C ATOM 680 OG1 THR A 60 2.064 -10.018 3.296 1.00 54.02 O ATOM 681 CG2 THR A 60 3.080 -9.403 5.398 1.00 13.33 C ATOM 0 H THR A 60 1.224 -8.127 6.756 1.00 23.25 H new ATOM 0 HA THR A 60 0.357 -7.880 3.953 1.00 65.41 H new ATOM 0 HB THR A 60 2.701 -8.103 3.746 1.00 3.40 H new ATOM 0 HG1 THR A 60 2.225 -9.683 2.389 1.00 54.02 H new ATOM 0 HG21 THR A 60 4.051 -9.727 5.023 1.00 13.33 H new ATOM 0 HG22 THR A 60 3.217 -8.576 6.095 1.00 13.33 H new ATOM 0 HG23 THR A 60 2.594 -10.233 5.910 1.00 13.33 H new ATOM 689 N GLU A 61 -1.215 -9.746 4.408 1.00 2.42 N ATOM 690 CA GLU A 61 -2.133 -10.862 4.598 1.00 31.23 C ATOM 691 C GLU A 61 -2.761 -11.282 3.272 1.00 10.13 C ATOM 692 O GLU A 61 -2.771 -10.518 2.307 1.00 43.34 O ATOM 693 CB GLU A 61 -3.229 -10.486 5.598 1.00 41.13 C ATOM 694 CG GLU A 61 -3.170 -11.278 6.893 1.00 63.22 C ATOM 695 CD GLU A 61 -4.358 -12.204 7.065 1.00 60.30 C ATOM 696 OE1 GLU A 61 -4.901 -12.670 6.042 1.00 61.43 O ATOM 697 OE2 GLU A 61 -4.745 -12.463 8.224 1.00 4.11 O ATOM 0 H GLU A 61 -1.559 -9.018 3.782 1.00 2.42 H new ATOM 0 HA GLU A 61 -1.564 -11.703 4.993 1.00 31.23 H new ATOM 0 HB2 GLU A 61 -3.150 -9.423 5.828 1.00 41.13 H new ATOM 0 HB3 GLU A 61 -4.202 -10.640 5.132 1.00 41.13 H new ATOM 0 HG2 GLU A 61 -2.251 -11.864 6.915 1.00 63.22 H new ATOM 0 HG3 GLU A 61 -3.127 -10.587 7.735 1.00 63.22 H new ATOM 704 N THR A 62 -3.285 -12.503 3.233 1.00 60.15 N ATOM 705 CA THR A 62 -3.913 -13.026 2.026 1.00 33.31 C ATOM 706 C THR A 62 -5.261 -13.665 2.341 1.00 52.11 C ATOM 707 O THR A 62 -5.336 -14.845 2.682 1.00 3.52 O ATOM 708 CB THR A 62 -3.015 -14.067 1.331 1.00 51.43 C ATOM 709 OG1 THR A 62 -2.705 -15.130 2.238 1.00 65.22 O ATOM 710 CG2 THR A 62 -1.728 -13.425 0.834 1.00 14.11 C ATOM 0 H THR A 62 -3.287 -13.148 4.023 1.00 60.15 H new ATOM 0 HA THR A 62 -4.062 -12.180 1.355 1.00 33.31 H new ATOM 0 HB THR A 62 -3.557 -14.468 0.474 1.00 51.43 H new ATOM 0 HG1 THR A 62 -3.514 -15.391 2.725 1.00 65.22 H new ATOM 0 HG21 THR A 62 -1.110 -14.179 0.347 1.00 14.11 H new ATOM 0 HG22 THR A 62 -1.967 -12.636 0.121 1.00 14.11 H new ATOM 0 HG23 THR A 62 -1.184 -13.000 1.678 1.00 14.11 H new ATOM 718 N GLY A 63 -6.326 -12.877 2.223 1.00 32.43 N ATOM 719 CA GLY A 63 -7.658 -13.384 2.499 1.00 62.55 C ATOM 720 C GLY A 63 -8.238 -14.155 1.329 1.00 22.22 C ATOM 721 O GLY A 63 -7.534 -14.921 0.673 1.00 65.24 O ATOM 0 H GLY A 63 -6.290 -11.897 1.941 1.00 32.43 H new ATOM 0 HA2 GLY A 63 -7.623 -14.031 3.375 1.00 62.55 H new ATOM 0 HA3 GLY A 63 -8.317 -12.551 2.744 1.00 62.55 H new ATOM 725 N GLU A 64 -9.526 -13.953 1.070 1.00 60.21 N ATOM 726 CA GLU A 64 -10.200 -14.638 -0.027 1.00 11.10 C ATOM 727 C GLU A 64 -10.068 -13.847 -1.325 1.00 52.32 C ATOM 728 O GLU A 64 -10.569 -14.259 -2.370 1.00 75.51 O ATOM 729 CB GLU A 64 -11.678 -14.849 0.306 1.00 34.53 C ATOM 730 CG GLU A 64 -12.397 -15.766 -0.669 1.00 71.42 C ATOM 731 CD GLU A 64 -13.122 -16.903 0.025 1.00 62.33 C ATOM 732 OE1 GLU A 64 -13.616 -16.692 1.152 1.00 74.43 O ATOM 733 OE2 GLU A 64 -13.194 -18.004 -0.560 1.00 73.52 O ATOM 0 H GLU A 64 -10.123 -13.321 1.604 1.00 60.21 H new ATOM 0 HA GLU A 64 -9.723 -15.609 -0.163 1.00 11.10 H new ATOM 0 HB2 GLU A 64 -11.760 -15.265 1.310 1.00 34.53 H new ATOM 0 HB3 GLU A 64 -12.180 -13.882 0.320 1.00 34.53 H new ATOM 0 HG2 GLU A 64 -13.113 -15.184 -1.249 1.00 71.42 H new ATOM 0 HG3 GLU A 64 -11.675 -16.177 -1.375 1.00 71.42 H new ATOM 740 N GLY A 65 -9.390 -12.706 -1.250 1.00 3.32 N ATOM 741 CA GLY A 65 -9.204 -11.874 -2.424 1.00 53.15 C ATOM 742 C GLY A 65 -7.831 -12.043 -3.043 1.00 40.45 C ATOM 743 O GLY A 65 -7.440 -13.150 -3.410 1.00 23.44 O ATOM 0 H GLY A 65 -8.966 -12.343 -0.396 1.00 3.32 H new ATOM 0 HA2 GLY A 65 -9.965 -12.120 -3.164 1.00 53.15 H new ATOM 0 HA3 GLY A 65 -9.350 -10.829 -2.152 1.00 53.15 H new ATOM 747 N ALA A 66 -7.098 -10.941 -3.162 1.00 42.44 N ATOM 748 CA ALA A 66 -5.760 -10.972 -3.741 1.00 54.42 C ATOM 749 C ALA A 66 -4.728 -10.415 -2.767 1.00 65.21 C ATOM 750 O ALA A 66 -4.055 -11.168 -2.063 1.00 74.42 O ATOM 751 CB ALA A 66 -5.732 -10.191 -5.047 1.00 10.54 C ATOM 0 H ALA A 66 -7.408 -10.016 -2.865 1.00 42.44 H new ATOM 0 HA ALA A 66 -5.503 -12.011 -3.946 1.00 54.42 H new ATOM 0 HB1 ALA A 66 -4.727 -10.222 -5.468 1.00 10.54 H new ATOM 0 HB2 ALA A 66 -6.435 -10.635 -5.752 1.00 10.54 H new ATOM 0 HB3 ALA A 66 -6.014 -9.155 -4.858 1.00 10.54 H new ATOM 757 N ALA A 67 -4.606 -9.092 -2.732 1.00 71.24 N ATOM 758 CA ALA A 67 -3.656 -8.435 -1.844 1.00 21.35 C ATOM 759 C ALA A 67 -4.352 -7.894 -0.600 1.00 1.54 C ATOM 760 O ALA A 67 -4.814 -6.753 -0.583 1.00 20.15 O ATOM 761 CB ALA A 67 -2.935 -7.315 -2.577 1.00 45.44 C ATOM 0 H ALA A 67 -5.154 -8.454 -3.309 1.00 71.24 H new ATOM 0 HA ALA A 67 -2.923 -9.176 -1.525 1.00 21.35 H new ATOM 0 HB1 ALA A 67 -2.229 -6.833 -1.901 1.00 45.44 H new ATOM 0 HB2 ALA A 67 -2.397 -7.726 -3.431 1.00 45.44 H new ATOM 0 HB3 ALA A 67 -3.662 -6.581 -2.925 1.00 45.44 H new ATOM 767 N ALA A 68 -4.424 -8.719 0.439 1.00 2.05 N ATOM 768 CA ALA A 68 -5.063 -8.322 1.688 1.00 45.40 C ATOM 769 C ALA A 68 -4.031 -7.848 2.706 1.00 43.41 C ATOM 770 O ALA A 68 -3.645 -8.593 3.607 1.00 72.12 O ATOM 771 CB ALA A 68 -5.875 -9.476 2.256 1.00 52.23 C ATOM 0 H ALA A 68 -4.048 -9.667 0.441 1.00 2.05 H new ATOM 0 HA ALA A 68 -5.734 -7.490 1.475 1.00 45.40 H new ATOM 0 HB1 ALA A 68 -6.346 -9.165 3.188 1.00 52.23 H new ATOM 0 HB2 ALA A 68 -6.644 -9.767 1.540 1.00 52.23 H new ATOM 0 HB3 ALA A 68 -5.218 -10.324 2.447 1.00 52.23 H new ATOM 777 N TYR A 69 -3.587 -6.605 2.556 1.00 1.42 N ATOM 778 CA TYR A 69 -2.597 -6.032 3.461 1.00 60.40 C ATOM 779 C TYR A 69 -3.239 -5.011 4.395 1.00 44.32 C ATOM 780 O TYR A 69 -4.344 -4.533 4.145 1.00 53.40 O ATOM 781 CB TYR A 69 -1.468 -5.374 2.665 1.00 33.44 C ATOM 782 CG TYR A 69 -0.450 -6.357 2.133 1.00 71.30 C ATOM 783 CD1 TYR A 69 -0.839 -7.606 1.665 1.00 32.32 C ATOM 784 CD2 TYR A 69 0.901 -6.036 2.097 1.00 64.22 C ATOM 785 CE1 TYR A 69 0.088 -8.507 1.179 1.00 72.43 C ATOM 786 CE2 TYR A 69 1.835 -6.931 1.611 1.00 43.44 C ATOM 787 CZ TYR A 69 1.424 -8.165 1.153 1.00 13.02 C ATOM 788 OH TYR A 69 2.350 -9.059 0.668 1.00 61.40 O ATOM 0 H TYR A 69 -3.897 -5.975 1.816 1.00 1.42 H new ATOM 0 HA TYR A 69 -2.183 -6.840 4.065 1.00 60.40 H new ATOM 0 HB2 TYR A 69 -1.898 -4.821 1.830 1.00 33.44 H new ATOM 0 HB3 TYR A 69 -0.962 -4.648 3.301 1.00 33.44 H new ATOM 0 HD1 TYR A 69 -1.884 -7.877 1.682 1.00 32.32 H new ATOM 0 HD2 TYR A 69 1.227 -5.071 2.455 1.00 64.22 H new ATOM 0 HE1 TYR A 69 -0.232 -9.475 0.821 1.00 72.43 H new ATOM 0 HE2 TYR A 69 2.882 -6.665 1.590 1.00 43.44 H new ATOM 0 HH TYR A 69 3.245 -8.663 0.719 1.00 61.40 H new ATOM 798 N GLY A 70 -2.535 -4.680 5.473 1.00 24.13 N ATOM 799 CA GLY A 70 -3.050 -3.717 6.429 1.00 63.10 C ATOM 800 C GLY A 70 -1.988 -2.742 6.899 1.00 33.53 C ATOM 801 O GLY A 70 -1.100 -3.105 7.671 1.00 15.13 O ATOM 0 H GLY A 70 -1.617 -5.062 5.701 1.00 24.13 H new ATOM 0 HA2 GLY A 70 -3.872 -3.163 5.975 1.00 63.10 H new ATOM 0 HA3 GLY A 70 -3.459 -4.247 7.289 1.00 63.10 H new ATOM 805 N VAL A 71 -2.078 -1.501 6.432 1.00 20.31 N ATOM 806 CA VAL A 71 -1.117 -0.471 6.809 1.00 35.21 C ATOM 807 C VAL A 71 -1.708 0.478 7.845 1.00 12.15 C ATOM 808 O VAL A 71 -2.616 1.255 7.546 1.00 43.31 O ATOM 809 CB VAL A 71 -0.659 0.344 5.585 1.00 21.41 C ATOM 810 CG1 VAL A 71 0.551 1.197 5.934 1.00 13.24 C ATOM 811 CG2 VAL A 71 -0.350 -0.580 4.416 1.00 15.31 C ATOM 0 H VAL A 71 -2.806 -1.184 5.792 1.00 20.31 H new ATOM 0 HA VAL A 71 -0.256 -0.983 7.238 1.00 35.21 H new ATOM 0 HB VAL A 71 -1.470 1.010 5.289 1.00 21.41 H new ATOM 0 HG11 VAL A 71 0.860 1.766 5.057 1.00 13.24 H new ATOM 0 HG12 VAL A 71 0.292 1.884 6.739 1.00 13.24 H new ATOM 0 HG13 VAL A 71 1.369 0.553 6.256 1.00 13.24 H new ATOM 0 HG21 VAL A 71 -0.028 0.012 3.559 1.00 15.31 H new ATOM 0 HG22 VAL A 71 0.444 -1.271 4.699 1.00 15.31 H new ATOM 0 HG23 VAL A 71 -1.245 -1.144 4.151 1.00 15.31 H new ATOM 821 N LEU A 72 -1.188 0.411 9.066 1.00 63.32 N ATOM 822 CA LEU A 72 -1.663 1.265 10.149 1.00 41.14 C ATOM 823 C LEU A 72 -0.684 2.405 10.413 1.00 70.34 C ATOM 824 O LEU A 72 0.523 2.259 10.217 1.00 74.35 O ATOM 825 CB LEU A 72 -1.862 0.443 11.423 1.00 13.22 C ATOM 826 CG LEU A 72 -0.868 -0.696 11.650 1.00 44.21 C ATOM 827 CD1 LEU A 72 -1.143 -1.843 10.691 1.00 65.35 C ATOM 828 CD2 LEU A 72 0.561 -0.196 11.491 1.00 12.10 C ATOM 0 H LEU A 72 -0.437 -0.226 9.331 1.00 63.32 H new ATOM 0 HA LEU A 72 -2.619 1.694 9.848 1.00 41.14 H new ATOM 0 HB2 LEU A 72 -1.812 1.117 12.278 1.00 13.22 H new ATOM 0 HB3 LEU A 72 -2.868 0.023 11.407 1.00 13.22 H new ATOM 0 HG LEU A 72 -0.992 -1.064 12.669 1.00 44.21 H new ATOM 0 HD11 LEU A 72 -0.426 -2.645 10.867 1.00 65.35 H new ATOM 0 HD12 LEU A 72 -2.154 -2.218 10.853 1.00 65.35 H new ATOM 0 HD13 LEU A 72 -1.047 -1.490 9.664 1.00 65.35 H new ATOM 0 HD21 LEU A 72 1.255 -1.020 11.656 1.00 12.10 H new ATOM 0 HD22 LEU A 72 0.699 0.198 10.484 1.00 12.10 H new ATOM 0 HD23 LEU A 72 0.754 0.592 12.219 1.00 12.10 H new ATOM 840 N VAL A 73 -1.212 3.539 10.861 1.00 43.42 N ATOM 841 CA VAL A 73 -0.384 4.703 11.155 1.00 15.34 C ATOM 842 C VAL A 73 -1.001 5.550 12.263 1.00 33.22 C ATOM 843 O VAL A 73 -2.080 6.120 12.097 1.00 33.03 O ATOM 844 CB VAL A 73 -0.184 5.580 9.905 1.00 12.53 C ATOM 845 CG1 VAL A 73 -1.527 6.007 9.331 1.00 22.32 C ATOM 846 CG2 VAL A 73 0.672 6.793 10.237 1.00 1.24 C ATOM 0 H VAL A 73 -2.209 3.677 11.028 1.00 43.42 H new ATOM 0 HA VAL A 73 0.585 4.327 11.485 1.00 15.34 H new ATOM 0 HB VAL A 73 0.337 4.991 9.150 1.00 12.53 H new ATOM 0 HG11 VAL A 73 -1.365 6.626 8.448 1.00 22.32 H new ATOM 0 HG12 VAL A 73 -2.102 5.123 9.054 1.00 22.32 H new ATOM 0 HG13 VAL A 73 -2.077 6.578 10.079 1.00 22.32 H new ATOM 0 HG21 VAL A 73 0.803 7.402 9.342 1.00 1.24 H new ATOM 0 HG22 VAL A 73 0.181 7.385 11.009 1.00 1.24 H new ATOM 0 HG23 VAL A 73 1.646 6.463 10.597 1.00 1.24 H new ATOM 856 N THR A 74 -0.309 5.629 13.396 1.00 71.54 N ATOM 857 CA THR A 74 -0.789 6.405 14.532 1.00 25.20 C ATOM 858 C THR A 74 0.258 6.464 15.639 1.00 63.45 C ATOM 859 O THR A 74 1.445 6.657 15.374 1.00 70.04 O ATOM 860 CB THR A 74 -2.092 5.816 15.105 1.00 42.43 C ATOM 861 OG1 THR A 74 -2.889 5.270 14.048 1.00 43.33 O ATOM 862 CG2 THR A 74 -2.886 6.881 15.847 1.00 24.42 C ATOM 0 H THR A 74 0.586 5.165 13.551 1.00 71.54 H new ATOM 0 HA THR A 74 -0.985 7.413 14.166 1.00 25.20 H new ATOM 0 HB THR A 74 -1.830 5.025 15.807 1.00 42.43 H new ATOM 0 HG1 THR A 74 -2.983 5.933 13.333 1.00 43.33 H new ATOM 0 HG21 THR A 74 -3.802 6.442 16.243 1.00 24.42 H new ATOM 0 HG22 THR A 74 -2.288 7.275 16.669 1.00 24.42 H new ATOM 0 HG23 THR A 74 -3.138 7.690 15.162 1.00 24.42 H new ATOM 870 N ARG A 75 -0.188 6.295 16.879 1.00 53.12 N ATOM 871 CA ARG A 75 0.711 6.330 18.026 1.00 71.41 C ATOM 872 C ARG A 75 0.973 4.922 18.554 1.00 15.22 C ATOM 873 O ARG A 75 0.105 4.049 18.522 1.00 50.21 O ATOM 874 CB ARG A 75 0.122 7.201 19.137 1.00 51.45 C ATOM 875 CG ARG A 75 0.302 8.692 18.901 1.00 54.14 C ATOM 876 CD ARG A 75 -0.707 9.507 19.694 1.00 13.42 C ATOM 877 NE ARG A 75 -1.541 10.338 18.830 1.00 40.24 N ATOM 878 CZ ARG A 75 -1.092 11.410 18.185 1.00 33.33 C ATOM 879 NH1 ARG A 75 0.176 11.778 18.307 1.00 14.12 N ATOM 880 NH2 ARG A 75 -1.912 12.115 17.417 1.00 73.14 N ATOM 0 H ARG A 75 -1.167 6.132 17.115 1.00 53.12 H new ATOM 0 HA ARG A 75 1.658 6.760 17.700 1.00 71.41 H new ATOM 0 HB2 ARG A 75 -0.942 6.983 19.233 1.00 51.45 H new ATOM 0 HB3 ARG A 75 0.590 6.932 20.084 1.00 51.45 H new ATOM 0 HG2 ARG A 75 1.312 8.987 19.184 1.00 54.14 H new ATOM 0 HG3 ARG A 75 0.192 8.909 17.839 1.00 54.14 H new ATOM 0 HD2 ARG A 75 -1.341 8.835 20.272 1.00 13.42 H new ATOM 0 HD3 ARG A 75 -0.180 10.141 20.407 1.00 13.42 H new ATOM 0 HE ARG A 75 -2.522 10.082 18.715 1.00 40.24 H new ATOM 0 HH11 ARG A 75 0.809 11.238 18.897 1.00 14.12 H new ATOM 0 HH12 ARG A 75 0.518 12.601 17.811 1.00 14.12 H new ATOM 0 HH21 ARG A 75 -2.888 11.835 17.321 1.00 73.14 H new ATOM 0 HH22 ARG A 75 -1.567 12.937 16.922 1.00 73.14 H new ATOM 894 N PRO A 76 2.197 4.695 19.052 1.00 21.10 N ATOM 895 CA PRO A 76 2.602 3.395 19.597 1.00 54.34 C ATOM 896 C PRO A 76 1.900 3.074 20.912 1.00 3.40 C ATOM 897 O PRO A 76 2.229 2.093 21.578 1.00 23.15 O ATOM 898 CB PRO A 76 4.107 3.557 19.819 1.00 44.01 C ATOM 899 CG PRO A 76 4.309 5.023 19.994 1.00 63.33 C ATOM 900 CD PRO A 76 3.281 5.689 19.122 1.00 0.22 C ATOM 0 HA PRO A 76 2.342 2.574 18.929 1.00 54.34 H new ATOM 0 HB2 PRO A 76 4.439 3.004 20.698 1.00 44.01 H new ATOM 0 HB3 PRO A 76 4.675 3.178 18.970 1.00 44.01 H new ATOM 0 HG2 PRO A 76 4.183 5.313 21.037 1.00 63.33 H new ATOM 0 HG3 PRO A 76 5.317 5.316 19.702 1.00 63.33 H new ATOM 0 HD2 PRO A 76 2.937 6.629 19.553 1.00 0.22 H new ATOM 0 HD3 PRO A 76 3.680 5.919 18.134 1.00 0.22 H new ATOM 908 N ASP A 77 0.933 3.907 21.280 1.00 52.13 N ATOM 909 CA ASP A 77 0.184 3.711 22.515 1.00 34.24 C ATOM 910 C ASP A 77 -0.951 2.713 22.310 1.00 75.50 C ATOM 911 O ASP A 77 -1.956 2.745 23.019 1.00 32.01 O ATOM 912 CB ASP A 77 -0.377 5.044 23.014 1.00 23.44 C ATOM 913 CG ASP A 77 0.574 5.754 23.958 1.00 54.43 C ATOM 914 OD1 ASP A 77 1.292 5.062 24.709 1.00 3.33 O ATOM 915 OD2 ASP A 77 0.599 7.003 23.944 1.00 65.40 O ATOM 0 H ASP A 77 0.649 4.725 20.740 1.00 52.13 H new ATOM 0 HA ASP A 77 0.866 3.309 23.264 1.00 34.24 H new ATOM 0 HB2 ASP A 77 -0.587 5.689 22.161 1.00 23.44 H new ATOM 0 HB3 ASP A 77 -1.325 4.869 23.522 1.00 23.44 H new ATOM 920 N GLY A 78 -0.784 1.826 21.333 1.00 1.11 N ATOM 921 CA GLY A 78 -1.803 0.832 21.051 1.00 63.11 C ATOM 922 C GLY A 78 -2.905 1.368 20.159 1.00 64.14 C ATOM 923 O GLY A 78 -3.712 0.604 19.628 1.00 10.12 O ATOM 0 H GLY A 78 0.039 1.778 20.732 1.00 1.11 H new ATOM 0 HA2 GLY A 78 -1.341 -0.032 20.573 1.00 63.11 H new ATOM 0 HA3 GLY A 78 -2.236 0.484 21.989 1.00 63.11 H new ATOM 927 N THR A 79 -2.941 2.686 19.993 1.00 42.54 N ATOM 928 CA THR A 79 -3.953 3.325 19.161 1.00 34.40 C ATOM 929 C THR A 79 -3.419 3.604 17.761 1.00 72.41 C ATOM 930 O THR A 79 -2.662 4.552 17.553 1.00 72.13 O ATOM 931 CB THR A 79 -4.442 4.646 19.785 1.00 64.34 C ATOM 932 OG1 THR A 79 -5.278 5.346 18.857 1.00 44.03 O ATOM 933 CG2 THR A 79 -3.265 5.525 20.179 1.00 43.54 C ATOM 0 H THR A 79 -2.280 3.333 20.424 1.00 42.54 H new ATOM 0 HA THR A 79 -4.791 2.631 19.095 1.00 34.40 H new ATOM 0 HB THR A 79 -5.015 4.410 20.682 1.00 64.34 H new ATOM 0 HG1 THR A 79 -5.586 6.184 19.262 1.00 44.03 H new ATOM 0 HG21 THR A 79 -3.634 6.452 20.617 1.00 43.54 H new ATOM 0 HG22 THR A 79 -2.647 5.000 20.907 1.00 43.54 H new ATOM 0 HG23 THR A 79 -2.670 5.753 19.295 1.00 43.54 H new ATOM 941 N ARG A 80 -3.818 2.772 16.804 1.00 53.43 N ATOM 942 CA ARG A 80 -3.379 2.930 15.423 1.00 44.13 C ATOM 943 C ARG A 80 -4.534 2.694 14.454 1.00 2.31 C ATOM 944 O ARG A 80 -5.555 2.112 14.819 1.00 21.41 O ATOM 945 CB ARG A 80 -2.235 1.961 15.115 1.00 14.12 C ATOM 946 CG ARG A 80 -2.306 0.665 15.906 1.00 11.23 C ATOM 947 CD ARG A 80 -1.190 -0.290 15.512 1.00 10.42 C ATOM 948 NE ARG A 80 0.097 0.391 15.397 1.00 22.33 N ATOM 949 CZ ARG A 80 0.751 0.906 16.432 1.00 10.04 C ATOM 950 NH1 ARG A 80 0.241 0.818 17.653 1.00 10.51 N ATOM 951 NH2 ARG A 80 1.918 1.510 16.248 1.00 51.14 N ATOM 0 H ARG A 80 -4.444 1.982 16.960 1.00 53.43 H new ATOM 0 HA ARG A 80 -3.024 3.953 15.296 1.00 44.13 H new ATOM 0 HB2 ARG A 80 -2.244 1.728 14.050 1.00 14.12 H new ATOM 0 HB3 ARG A 80 -1.286 2.454 15.325 1.00 14.12 H new ATOM 0 HG2 ARG A 80 -2.240 0.884 16.972 1.00 11.23 H new ATOM 0 HG3 ARG A 80 -3.271 0.187 15.738 1.00 11.23 H new ATOM 0 HD2 ARG A 80 -1.115 -1.085 16.254 1.00 10.42 H new ATOM 0 HD3 ARG A 80 -1.436 -0.763 14.561 1.00 10.42 H new ATOM 0 HE ARG A 80 0.517 0.476 14.471 1.00 22.33 H new ATOM 0 HH11 ARG A 80 -0.656 0.354 17.799 1.00 10.51 H new ATOM 0 HH12 ARG A 80 0.745 1.214 18.446 1.00 10.51 H new ATOM 0 HH21 ARG A 80 2.314 1.579 15.311 1.00 51.14 H new ATOM 0 HH22 ARG A 80 2.419 1.905 17.044 1.00 51.14 H new ATOM 965 N VAL A 81 -4.365 3.152 13.217 1.00 33.24 N ATOM 966 CA VAL A 81 -5.393 2.991 12.196 1.00 70.51 C ATOM 967 C VAL A 81 -4.884 2.148 11.032 1.00 25.10 C ATOM 968 O VAL A 81 -4.202 2.652 10.140 1.00 53.10 O ATOM 969 CB VAL A 81 -5.869 4.353 11.659 1.00 53.32 C ATOM 970 CG1 VAL A 81 -6.773 5.040 12.671 1.00 1.24 C ATOM 971 CG2 VAL A 81 -4.679 5.234 11.311 1.00 62.14 C ATOM 0 H VAL A 81 -3.526 3.637 12.898 1.00 33.24 H new ATOM 0 HA VAL A 81 -6.233 2.482 12.670 1.00 70.51 H new ATOM 0 HB VAL A 81 -6.445 4.184 10.749 1.00 53.32 H new ATOM 0 HG11 VAL A 81 -7.099 6.001 12.274 1.00 1.24 H new ATOM 0 HG12 VAL A 81 -7.643 4.413 12.866 1.00 1.24 H new ATOM 0 HG13 VAL A 81 -6.225 5.199 13.600 1.00 1.24 H new ATOM 0 HG21 VAL A 81 -5.034 6.193 10.933 1.00 62.14 H new ATOM 0 HG22 VAL A 81 -4.074 5.397 12.203 1.00 62.14 H new ATOM 0 HG23 VAL A 81 -4.075 4.744 10.547 1.00 62.14 H new ATOM 981 N GLU A 82 -5.219 0.862 11.048 1.00 33.32 N ATOM 982 CA GLU A 82 -4.795 -0.051 9.993 1.00 21.23 C ATOM 983 C GLU A 82 -5.708 0.062 8.776 1.00 33.31 C ATOM 984 O GLU A 82 -6.929 -0.047 8.890 1.00 53.21 O ATOM 985 CB GLU A 82 -4.788 -1.492 10.508 1.00 70.35 C ATOM 986 CG GLU A 82 -6.169 -2.020 10.859 1.00 0.30 C ATOM 987 CD GLU A 82 -6.642 -3.099 9.904 1.00 2.42 C ATOM 988 OE1 GLU A 82 -6.334 -3.000 8.698 1.00 74.51 O ATOM 989 OE2 GLU A 82 -7.319 -4.042 10.364 1.00 14.41 O ATOM 0 H GLU A 82 -5.783 0.429 11.780 1.00 33.32 H new ATOM 0 HA GLU A 82 -3.784 0.225 9.693 1.00 21.23 H new ATOM 0 HB2 GLU A 82 -4.343 -2.137 9.751 1.00 70.35 H new ATOM 0 HB3 GLU A 82 -4.151 -1.550 11.390 1.00 70.35 H new ATOM 0 HG2 GLU A 82 -6.154 -2.419 11.873 1.00 0.30 H new ATOM 0 HG3 GLU A 82 -6.882 -1.195 10.851 1.00 0.30 H new ATOM 996 N VAL A 83 -5.107 0.281 7.611 1.00 74.12 N ATOM 997 CA VAL A 83 -5.865 0.408 6.372 1.00 52.32 C ATOM 998 C VAL A 83 -6.004 -0.939 5.672 1.00 54.12 C ATOM 999 O VAL A 83 -5.013 -1.542 5.260 1.00 61.12 O ATOM 1000 CB VAL A 83 -5.201 1.409 5.408 1.00 42.12 C ATOM 1001 CG1 VAL A 83 -6.175 1.826 4.316 1.00 4.23 C ATOM 1002 CG2 VAL A 83 -4.689 2.622 6.170 1.00 53.45 C ATOM 0 H VAL A 83 -4.097 0.374 7.499 1.00 74.12 H new ATOM 0 HA VAL A 83 -6.854 0.777 6.643 1.00 52.32 H new ATOM 0 HB VAL A 83 -4.350 0.921 4.934 1.00 42.12 H new ATOM 0 HG11 VAL A 83 -5.688 2.533 3.645 1.00 4.23 H new ATOM 0 HG12 VAL A 83 -6.488 0.947 3.752 1.00 4.23 H new ATOM 0 HG13 VAL A 83 -7.048 2.297 4.768 1.00 4.23 H new ATOM 0 HG21 VAL A 83 -4.223 3.319 5.474 1.00 53.45 H new ATOM 0 HG22 VAL A 83 -5.522 3.114 6.673 1.00 53.45 H new ATOM 0 HG23 VAL A 83 -3.955 2.303 6.910 1.00 53.45 H new ATOM 1012 N HIS A 84 -7.242 -1.406 5.540 1.00 61.03 N ATOM 1013 CA HIS A 84 -7.512 -2.683 4.888 1.00 44.31 C ATOM 1014 C HIS A 84 -7.592 -2.513 3.374 1.00 61.33 C ATOM 1015 O HIS A 84 -8.462 -1.806 2.863 1.00 64.32 O ATOM 1016 CB HIS A 84 -8.815 -3.283 5.415 1.00 20.33 C ATOM 1017 CG HIS A 84 -8.785 -4.777 5.525 1.00 52.34 C ATOM 1018 ND1 HIS A 84 -9.810 -5.511 6.084 1.00 63.15 N ATOM 1019 CD2 HIS A 84 -7.847 -5.674 5.141 1.00 51.12 C ATOM 1020 CE1 HIS A 84 -9.502 -6.795 6.041 1.00 75.25 C ATOM 1021 NE2 HIS A 84 -8.317 -6.921 5.473 1.00 64.03 N ATOM 0 H HIS A 84 -8.073 -0.920 5.876 1.00 61.03 H new ATOM 0 HA HIS A 84 -6.690 -3.361 5.117 1.00 44.31 H new ATOM 0 HB2 HIS A 84 -9.030 -2.859 6.396 1.00 20.33 H new ATOM 0 HB3 HIS A 84 -9.632 -2.992 4.755 1.00 20.33 H new ATOM 0 HD2 HIS A 84 -6.905 -5.451 4.663 1.00 51.12 H new ATOM 0 HE1 HIS A 84 -10.116 -7.604 6.408 1.00 75.25 H new ATOM 0 HE2 HIS A 84 -7.830 -7.802 5.308 1.00 64.03 H new ATOM 1029 N LEU A 85 -6.680 -3.165 2.661 1.00 23.23 N ATOM 1030 CA LEU A 85 -6.647 -3.086 1.205 1.00 65.40 C ATOM 1031 C LEU A 85 -6.736 -4.476 0.582 1.00 13.12 C ATOM 1032 O LEU A 85 -5.914 -5.348 0.864 1.00 42.40 O ATOM 1033 CB LEU A 85 -5.366 -2.389 0.741 1.00 15.03 C ATOM 1034 CG LEU A 85 -4.063 -2.902 1.355 1.00 41.44 C ATOM 1035 CD1 LEU A 85 -3.092 -3.330 0.265 1.00 55.12 C ATOM 1036 CD2 LEU A 85 -3.436 -1.836 2.241 1.00 25.04 C ATOM 0 H LEU A 85 -5.954 -3.754 3.068 1.00 23.23 H new ATOM 0 HA LEU A 85 -7.509 -2.505 0.878 1.00 65.40 H new ATOM 0 HB2 LEU A 85 -5.296 -2.485 -0.343 1.00 15.03 H new ATOM 0 HB3 LEU A 85 -5.454 -1.325 0.962 1.00 15.03 H new ATOM 0 HG LEU A 85 -4.291 -3.771 1.972 1.00 41.44 H new ATOM 0 HD11 LEU A 85 -2.170 -3.692 0.720 1.00 55.12 H new ATOM 0 HD12 LEU A 85 -3.540 -4.126 -0.329 1.00 55.12 H new ATOM 0 HD13 LEU A 85 -2.869 -2.479 -0.378 1.00 55.12 H new ATOM 0 HD21 LEU A 85 -2.510 -2.218 2.670 1.00 25.04 H new ATOM 0 HD22 LEU A 85 -3.221 -0.948 1.646 1.00 25.04 H new ATOM 0 HD23 LEU A 85 -4.127 -1.577 3.043 1.00 25.04 H new ATOM 1048 N ASP A 86 -7.739 -4.674 -0.267 1.00 24.44 N ATOM 1049 CA ASP A 86 -7.934 -5.957 -0.932 1.00 52.04 C ATOM 1050 C ASP A 86 -8.177 -5.763 -2.426 1.00 4.41 C ATOM 1051 O ASP A 86 -9.139 -5.109 -2.829 1.00 1.24 O ATOM 1052 CB ASP A 86 -9.110 -6.707 -0.306 1.00 35.15 C ATOM 1053 CG ASP A 86 -8.915 -8.210 -0.325 1.00 22.44 C ATOM 1054 OD1 ASP A 86 -8.042 -8.686 -1.081 1.00 52.13 O ATOM 1055 OD2 ASP A 86 -9.633 -8.911 0.418 1.00 75.21 O ATOM 0 H ASP A 86 -8.429 -3.963 -0.511 1.00 24.44 H new ATOM 0 HA ASP A 86 -7.027 -6.547 -0.802 1.00 52.04 H new ATOM 0 HB2 ASP A 86 -9.243 -6.374 0.723 1.00 35.15 H new ATOM 0 HB3 ASP A 86 -10.025 -6.456 -0.843 1.00 35.15 H new ATOM 1060 N ARG A 87 -7.297 -6.334 -3.242 1.00 40.33 N ATOM 1061 CA ARG A 87 -7.414 -6.221 -4.691 1.00 72.11 C ATOM 1062 C ARG A 87 -8.630 -6.991 -5.200 1.00 3.24 C ATOM 1063 O ARG A 87 -8.900 -7.021 -6.400 1.00 62.33 O ATOM 1064 CB ARG A 87 -6.146 -6.744 -5.369 1.00 12.32 C ATOM 1065 CG ARG A 87 -6.248 -6.808 -6.884 1.00 22.30 C ATOM 1066 CD ARG A 87 -6.513 -8.226 -7.365 1.00 34.34 C ATOM 1067 NE ARG A 87 -6.910 -8.263 -8.770 1.00 3.22 N ATOM 1068 CZ ARG A 87 -6.887 -9.365 -9.511 1.00 54.33 C ATOM 1069 NH1 ARG A 87 -6.490 -10.515 -8.984 1.00 54.40 N ATOM 1070 NH2 ARG A 87 -7.263 -9.318 -10.783 1.00 52.20 N ATOM 0 H ARG A 87 -6.496 -6.879 -2.925 1.00 40.33 H new ATOM 0 HA ARG A 87 -7.542 -5.167 -4.939 1.00 72.11 H new ATOM 0 HB2 ARG A 87 -5.308 -6.103 -5.096 1.00 12.32 H new ATOM 0 HB3 ARG A 87 -5.924 -7.740 -4.986 1.00 12.32 H new ATOM 0 HG2 ARG A 87 -7.049 -6.152 -7.224 1.00 22.30 H new ATOM 0 HG3 ARG A 87 -5.323 -6.439 -7.328 1.00 22.30 H new ATOM 0 HD2 ARG A 87 -5.616 -8.829 -7.226 1.00 34.34 H new ATOM 0 HD3 ARG A 87 -7.297 -8.675 -6.755 1.00 34.34 H new ATOM 0 HE ARG A 87 -7.222 -7.395 -9.206 1.00 3.22 H new ATOM 0 HH11 ARG A 87 -6.201 -10.555 -8.007 1.00 54.40 H new ATOM 0 HH12 ARG A 87 -6.474 -11.359 -9.556 1.00 54.40 H new ATOM 0 HH21 ARG A 87 -7.570 -8.435 -11.192 1.00 52.20 H new ATOM 0 HH22 ARG A 87 -7.245 -10.165 -11.352 1.00 52.20 H new ATOM 1084 N ASP A 88 -9.358 -7.611 -4.278 1.00 73.23 N ATOM 1085 CA ASP A 88 -10.545 -8.381 -4.633 1.00 14.43 C ATOM 1086 C ASP A 88 -11.636 -7.471 -5.191 1.00 24.30 C ATOM 1087 O ASP A 88 -12.607 -7.941 -5.784 1.00 61.10 O ATOM 1088 CB ASP A 88 -11.071 -9.138 -3.413 1.00 32.44 C ATOM 1089 CG ASP A 88 -11.622 -10.504 -3.772 1.00 61.25 C ATOM 1090 OD1 ASP A 88 -11.647 -10.835 -4.976 1.00 63.12 O ATOM 1091 OD2 ASP A 88 -12.029 -11.242 -2.850 1.00 61.04 O ATOM 0 H ASP A 88 -9.148 -7.596 -3.280 1.00 73.23 H new ATOM 0 HA ASP A 88 -10.265 -9.099 -5.404 1.00 14.43 H new ATOM 0 HB2 ASP A 88 -10.267 -9.253 -2.686 1.00 32.44 H new ATOM 0 HB3 ASP A 88 -11.852 -8.549 -2.933 1.00 32.44 H new ATOM 1096 N PHE A 89 -11.469 -6.167 -4.996 1.00 64.43 N ATOM 1097 CA PHE A 89 -12.439 -5.192 -5.478 1.00 54.15 C ATOM 1098 C PHE A 89 -11.968 -3.769 -5.194 1.00 45.15 C ATOM 1099 O PHE A 89 -11.262 -3.165 -6.002 1.00 41.34 O ATOM 1100 CB PHE A 89 -13.802 -5.430 -4.823 1.00 44.24 C ATOM 1101 CG PHE A 89 -13.735 -6.300 -3.601 1.00 71.21 C ATOM 1102 CD1 PHE A 89 -12.777 -6.076 -2.626 1.00 43.00 C ATOM 1103 CD2 PHE A 89 -14.631 -7.343 -3.427 1.00 41.15 C ATOM 1104 CE1 PHE A 89 -12.713 -6.875 -1.500 1.00 0.32 C ATOM 1105 CE2 PHE A 89 -14.572 -8.145 -2.303 1.00 54.32 C ATOM 1106 CZ PHE A 89 -13.611 -7.911 -1.339 1.00 35.12 C ATOM 0 H PHE A 89 -10.671 -5.762 -4.507 1.00 64.43 H new ATOM 0 HA PHE A 89 -12.535 -5.316 -6.557 1.00 54.15 H new ATOM 0 HB2 PHE A 89 -14.239 -4.469 -4.552 1.00 44.24 H new ATOM 0 HB3 PHE A 89 -14.471 -5.890 -5.551 1.00 44.24 H new ATOM 0 HD1 PHE A 89 -12.072 -5.267 -2.747 1.00 43.00 H new ATOM 0 HD2 PHE A 89 -15.384 -7.531 -4.178 1.00 41.15 H new ATOM 0 HE1 PHE A 89 -11.961 -6.689 -0.747 1.00 0.32 H new ATOM 0 HE2 PHE A 89 -15.277 -8.954 -2.179 1.00 54.32 H new ATOM 0 HZ PHE A 89 -13.562 -8.538 -0.461 1.00 35.12 H new ATOM 1116 N ARG A 90 -12.363 -3.240 -4.041 1.00 50.22 N ATOM 1117 CA ARG A 90 -11.983 -1.888 -3.651 1.00 3.33 C ATOM 1118 C ARG A 90 -11.893 -1.765 -2.132 1.00 64.44 C ATOM 1119 O ARG A 90 -12.156 -0.704 -1.568 1.00 14.33 O ATOM 1120 CB ARG A 90 -12.990 -0.874 -4.196 1.00 34.02 C ATOM 1121 CG ARG A 90 -14.426 -1.373 -4.178 1.00 12.41 C ATOM 1122 CD ARG A 90 -14.904 -1.644 -2.760 1.00 70.10 C ATOM 1123 NE ARG A 90 -16.337 -1.406 -2.610 1.00 51.43 N ATOM 1124 CZ ARG A 90 -17.271 -2.222 -3.084 1.00 74.24 C ATOM 1125 NH1 ARG A 90 -16.925 -3.325 -3.734 1.00 52.35 N ATOM 1126 NH2 ARG A 90 -18.555 -1.937 -2.908 1.00 12.10 N ATOM 0 H ARG A 90 -12.946 -3.727 -3.361 1.00 50.22 H new ATOM 0 HA ARG A 90 -11.001 -1.678 -4.075 1.00 3.33 H new ATOM 0 HB2 ARG A 90 -12.925 0.042 -3.609 1.00 34.02 H new ATOM 0 HB3 ARG A 90 -12.716 -0.617 -5.219 1.00 34.02 H new ATOM 0 HG2 ARG A 90 -15.075 -0.633 -4.647 1.00 12.41 H new ATOM 0 HG3 ARG A 90 -14.503 -2.285 -4.770 1.00 12.41 H new ATOM 0 HD2 ARG A 90 -14.678 -2.676 -2.493 1.00 70.10 H new ATOM 0 HD3 ARG A 90 -14.356 -1.008 -2.065 1.00 70.10 H new ATOM 0 HE ARG A 90 -16.637 -0.567 -2.114 1.00 51.43 H new ATOM 0 HH11 ARG A 90 -15.939 -3.548 -3.871 1.00 52.35 H new ATOM 0 HH12 ARG A 90 -17.645 -3.950 -4.097 1.00 52.35 H new ATOM 0 HH21 ARG A 90 -18.826 -1.090 -2.408 1.00 12.10 H new ATOM 0 HH22 ARG A 90 -19.271 -2.565 -3.273 1.00 12.10 H new ATOM 1140 N VAL A 91 -11.519 -2.860 -1.477 1.00 3.43 N ATOM 1141 CA VAL A 91 -11.393 -2.875 -0.024 1.00 73.22 C ATOM 1142 C VAL A 91 -10.176 -2.078 0.431 1.00 52.12 C ATOM 1143 O VAL A 91 -9.118 -2.644 0.710 1.00 14.25 O ATOM 1144 CB VAL A 91 -11.281 -4.314 0.514 1.00 32.00 C ATOM 1145 CG1 VAL A 91 -10.403 -4.353 1.755 1.00 22.12 C ATOM 1146 CG2 VAL A 91 -12.662 -4.881 0.810 1.00 44.23 C ATOM 0 H VAL A 91 -11.298 -3.747 -1.929 1.00 3.43 H new ATOM 0 HA VAL A 91 -12.296 -2.414 0.377 1.00 73.22 H new ATOM 0 HB VAL A 91 -10.815 -4.934 -0.251 1.00 32.00 H new ATOM 0 HG11 VAL A 91 -10.336 -5.378 2.121 1.00 22.12 H new ATOM 0 HG12 VAL A 91 -9.406 -3.990 1.507 1.00 22.12 H new ATOM 0 HG13 VAL A 91 -10.838 -3.719 2.528 1.00 22.12 H new ATOM 0 HG21 VAL A 91 -12.564 -5.898 1.189 1.00 44.23 H new ATOM 0 HG22 VAL A 91 -13.157 -4.261 1.557 1.00 44.23 H new ATOM 0 HG23 VAL A 91 -13.255 -4.890 -0.104 1.00 44.23 H new ATOM 1156 N LEU A 92 -10.332 -0.761 0.504 1.00 53.35 N ATOM 1157 CA LEU A 92 -9.246 0.116 0.926 1.00 42.53 C ATOM 1158 C LEU A 92 -9.637 0.908 2.170 1.00 61.14 C ATOM 1159 O LEU A 92 -9.024 1.927 2.487 1.00 24.15 O ATOM 1160 CB LEU A 92 -8.869 1.075 -0.205 1.00 52.22 C ATOM 1161 CG LEU A 92 -8.405 0.426 -1.509 1.00 64.51 C ATOM 1162 CD1 LEU A 92 -7.820 -0.952 -1.240 1.00 63.32 C ATOM 1163 CD2 LEU A 92 -9.556 0.334 -2.499 1.00 54.04 C ATOM 0 H LEU A 92 -11.200 -0.277 0.276 1.00 53.35 H new ATOM 0 HA LEU A 92 -8.384 -0.506 1.169 1.00 42.53 H new ATOM 0 HB2 LEU A 92 -9.732 1.705 -0.423 1.00 52.22 H new ATOM 0 HB3 LEU A 92 -8.076 1.732 0.152 1.00 52.22 H new ATOM 0 HG LEU A 92 -7.626 1.051 -1.946 1.00 64.51 H new ATOM 0 HD11 LEU A 92 -7.495 -1.399 -2.179 1.00 63.32 H new ATOM 0 HD12 LEU A 92 -6.967 -0.860 -0.568 1.00 63.32 H new ATOM 0 HD13 LEU A 92 -8.578 -1.586 -0.780 1.00 63.32 H new ATOM 0 HD21 LEU A 92 -9.207 -0.131 -3.421 1.00 54.04 H new ATOM 0 HD22 LEU A 92 -10.357 -0.268 -2.070 1.00 54.04 H new ATOM 0 HD23 LEU A 92 -9.930 1.335 -2.716 1.00 54.04 H new ATOM 1175 N ASP A 93 -10.660 0.431 2.870 1.00 2.03 N ATOM 1176 CA ASP A 93 -11.131 1.092 4.082 1.00 40.01 C ATOM 1177 C ASP A 93 -10.293 0.678 5.288 1.00 42.55 C ATOM 1178 O ASP A 93 -9.955 -0.495 5.450 1.00 3.50 O ATOM 1179 CB ASP A 93 -12.603 0.760 4.330 1.00 30.42 C ATOM 1180 CG ASP A 93 -13.324 1.855 5.091 1.00 43.20 C ATOM 1181 OD1 ASP A 93 -12.961 3.037 4.914 1.00 22.35 O ATOM 1182 OD2 ASP A 93 -14.250 1.531 5.864 1.00 60.14 O ATOM 0 H ASP A 93 -11.179 -0.411 2.619 1.00 2.03 H new ATOM 0 HA ASP A 93 -11.028 2.168 3.943 1.00 40.01 H new ATOM 0 HB2 ASP A 93 -13.102 0.597 3.374 1.00 30.42 H new ATOM 0 HB3 ASP A 93 -12.673 -0.173 4.889 1.00 30.42 H new ATOM 1187 N THR A 94 -9.959 1.650 6.131 1.00 0.23 N ATOM 1188 CA THR A 94 -9.159 1.388 7.321 1.00 44.13 C ATOM 1189 C THR A 94 -10.045 1.100 8.527 1.00 3.12 C ATOM 1190 O THR A 94 -11.248 1.356 8.500 1.00 42.33 O ATOM 1191 CB THR A 94 -8.234 2.576 7.649 1.00 73.12 C ATOM 1192 OG1 THR A 94 -7.599 2.367 8.915 1.00 11.10 O ATOM 1193 CG2 THR A 94 -9.018 3.879 7.678 1.00 41.55 C ATOM 0 H THR A 94 -10.230 2.626 6.012 1.00 0.23 H new ATOM 0 HA THR A 94 -8.549 0.511 7.105 1.00 44.13 H new ATOM 0 HB THR A 94 -7.475 2.644 6.869 1.00 73.12 H new ATOM 0 HG1 THR A 94 -6.799 2.930 8.976 1.00 11.10 H new ATOM 0 HG21 THR A 94 -8.345 4.704 7.911 1.00 41.55 H new ATOM 0 HG22 THR A 94 -9.476 4.050 6.704 1.00 41.55 H new ATOM 0 HG23 THR A 94 -9.796 3.819 8.439 1.00 41.55 H new ATOM 1201 N GLU A 95 -9.441 0.567 9.585 1.00 74.41 N ATOM 1202 CA GLU A 95 -10.178 0.244 10.801 1.00 3.15 C ATOM 1203 C GLU A 95 -9.371 0.618 12.041 1.00 4.23 C ATOM 1204 O GLU A 95 -8.158 0.826 11.985 1.00 54.15 O ATOM 1205 CB GLU A 95 -10.523 -1.246 10.835 1.00 33.10 C ATOM 1206 CG GLU A 95 -11.950 -1.550 10.409 1.00 42.22 C ATOM 1207 CD GLU A 95 -12.049 -1.957 8.951 1.00 12.44 C ATOM 1208 OE1 GLU A 95 -11.181 -2.726 8.489 1.00 40.41 O ATOM 1209 OE2 GLU A 95 -12.996 -1.505 8.273 1.00 31.45 O ATOM 0 H GLU A 95 -8.445 0.350 9.624 1.00 74.41 H new ATOM 0 HA GLU A 95 -11.101 0.823 10.800 1.00 3.15 H new ATOM 0 HB2 GLU A 95 -9.835 -1.785 10.183 1.00 33.10 H new ATOM 0 HB3 GLU A 95 -10.366 -1.624 11.845 1.00 33.10 H new ATOM 0 HG2 GLU A 95 -12.349 -2.349 11.033 1.00 42.22 H new ATOM 0 HG3 GLU A 95 -12.571 -0.671 10.580 1.00 42.22 H new ATOM 1216 N PRO A 96 -10.058 0.707 13.190 1.00 61.13 N ATOM 1217 CA PRO A 96 -9.426 1.056 14.466 1.00 51.25 C ATOM 1218 C PRO A 96 -8.514 -0.051 14.983 1.00 41.20 C ATOM 1219 O PRO A 96 -8.962 -0.964 15.675 1.00 21.14 O ATOM 1220 CB PRO A 96 -10.616 1.253 15.408 1.00 2.23 C ATOM 1221 CG PRO A 96 -11.706 0.425 14.821 1.00 50.23 C ATOM 1222 CD PRO A 96 -11.505 0.472 13.331 1.00 2.42 C ATOM 0 HA PRO A 96 -8.785 1.933 14.378 1.00 51.25 H new ATOM 0 HB2 PRO A 96 -10.376 0.931 16.421 1.00 2.23 H new ATOM 0 HB3 PRO A 96 -10.904 2.302 15.467 1.00 2.23 H new ATOM 0 HG2 PRO A 96 -11.659 -0.600 15.189 1.00 50.23 H new ATOM 0 HG3 PRO A 96 -12.685 0.818 15.095 1.00 50.23 H new ATOM 0 HD2 PRO A 96 -11.809 -0.460 12.855 1.00 2.42 H new ATOM 0 HD3 PRO A 96 -12.088 1.270 12.872 1.00 2.42 H new ATOM 1230 N ALA A 97 -7.232 0.038 14.643 1.00 73.53 N ATOM 1231 CA ALA A 97 -6.257 -0.956 15.075 1.00 1.53 C ATOM 1232 C ALA A 97 -5.884 -0.757 16.540 1.00 1.45 C ATOM 1233 O ALA A 97 -5.235 0.227 16.898 1.00 74.02 O ATOM 1234 CB ALA A 97 -5.015 -0.892 14.199 1.00 3.21 C ATOM 0 H ALA A 97 -6.845 0.788 14.070 1.00 73.53 H new ATOM 0 HA ALA A 97 -6.710 -1.942 14.973 1.00 1.53 H new ATOM 0 HB1 ALA A 97 -4.295 -1.640 14.533 1.00 3.21 H new ATOM 0 HB2 ALA A 97 -5.290 -1.090 13.163 1.00 3.21 H new ATOM 0 HB3 ALA A 97 -4.569 0.100 14.273 1.00 3.21 H new ATOM 1240 N ASP A 98 -6.298 -1.695 17.384 1.00 30.51 N ATOM 1241 CA ASP A 98 -6.007 -1.623 18.811 1.00 21.42 C ATOM 1242 C ASP A 98 -5.247 -2.863 19.274 1.00 11.41 C ATOM 1243 O ASP A 98 -5.785 -3.969 19.275 1.00 52.20 O ATOM 1244 CB ASP A 98 -7.302 -1.476 19.611 1.00 53.21 C ATOM 1245 CG ASP A 98 -7.076 -0.837 20.967 1.00 41.20 C ATOM 1246 OD1 ASP A 98 -6.057 -0.133 21.129 1.00 25.51 O ATOM 1247 OD2 ASP A 98 -7.919 -1.039 21.866 1.00 65.32 O ATOM 0 H ASP A 98 -6.837 -2.515 17.105 1.00 30.51 H new ATOM 0 HA ASP A 98 -5.380 -0.748 18.985 1.00 21.42 H new ATOM 0 HB2 ASP A 98 -8.010 -0.874 19.042 1.00 53.21 H new ATOM 0 HB3 ASP A 98 -7.755 -2.458 19.746 1.00 53.21 H new ATOM 1252 N GLY A 99 -3.991 -2.669 19.667 1.00 55.35 N ATOM 1253 CA GLY A 99 -3.178 -3.779 20.125 1.00 63.41 C ATOM 1254 C GLY A 99 -3.907 -4.661 21.119 1.00 72.33 C ATOM 1255 O GLY A 99 -3.548 -5.824 21.308 1.00 54.33 O ATOM 0 H GLY A 99 -3.523 -1.763 19.676 1.00 55.35 H new ATOM 0 HA2 GLY A 99 -2.872 -4.379 19.268 1.00 63.41 H new ATOM 0 HA3 GLY A 99 -2.268 -3.393 20.585 1.00 63.41 H new ATOM 1259 N ASP A 100 -4.933 -4.108 21.757 1.00 62.14 N ATOM 1260 CA ASP A 100 -5.715 -4.852 22.737 1.00 24.13 C ATOM 1261 C ASP A 100 -6.937 -5.492 22.086 1.00 42.42 C ATOM 1262 O ASP A 100 -7.462 -6.491 22.575 1.00 63.25 O ATOM 1263 CB ASP A 100 -6.152 -3.931 23.877 1.00 31.13 C ATOM 1264 CG ASP A 100 -6.698 -4.699 25.065 1.00 54.02 C ATOM 1265 OD1 ASP A 100 -7.861 -5.149 24.997 1.00 75.24 O ATOM 1266 OD2 ASP A 100 -5.963 -4.851 26.062 1.00 4.41 O ATOM 0 H ASP A 100 -5.242 -3.147 21.613 1.00 62.14 H new ATOM 0 HA ASP A 100 -5.085 -5.645 23.141 1.00 24.13 H new ATOM 0 HB2 ASP A 100 -5.303 -3.327 24.198 1.00 31.13 H new ATOM 0 HB3 ASP A 100 -6.914 -3.242 23.512 1.00 31.13 H new ATOM 1271 N GLY A 101 -7.386 -4.907 20.979 1.00 3.44 N ATOM 1272 CA GLY A 101 -8.543 -5.432 20.280 1.00 75.12 C ATOM 1273 C GLY A 101 -9.808 -4.655 20.586 1.00 13.04 C ATOM 1274 O GLY A 101 -10.855 -4.898 19.987 1.00 10.24 O ATOM 0 H GLY A 101 -6.968 -4.079 20.555 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -8.357 -5.408 19.206 1.00 75.12 H new ATOM 0 HA3 GLY A 101 -8.687 -6.477 20.555 1.00 75.12 H new ATOM 1278 N GLY A 102 -9.712 -3.717 21.525 1.00 75.55 N ATOM 1279 CA GLY A 102 -10.866 -2.918 21.895 1.00 44.13 C ATOM 1280 C GLY A 102 -11.373 -3.241 23.286 1.00 23.01 C ATOM 1281 O GLY A 102 -10.678 -3.011 24.276 1.00 52.30 O ATOM 0 H GLY A 102 -8.857 -3.497 22.035 1.00 75.55 H new ATOM 0 HA2 GLY A 102 -10.604 -1.861 21.844 1.00 44.13 H new ATOM 0 HA3 GLY A 102 -11.665 -3.084 21.173 1.00 44.13 H new