USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 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 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= -0.872 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 21 TYR OH : rot -131:sc= 1.56 USER MOD Single : A 23 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.33) USER MOD Single : A 26 MET CE :methyl -123:sc= -0.87 (180deg=-7.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.2 K(o=-4.2,f=-6.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 53:sc= 0.043 USER MOD Single : A 69 TYR OH : rot -144:sc= -1.21! USER MOD Single : A 74 THR OG1 : rot -41:sc= -6.92! USER MOD Single : A 79 THR OG1 : rot 20:sc= 0.689 USER MOD Single : A 84 HIS :FLIP no HE2:sc= -0.321 F(o=-1.3,f=-0.32) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0607 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 -0.763 1.111 -0.382 1.00 23.02 N ATOM 2 CA ASP A 11 -0.899 1.156 -1.833 1.00 64.41 C ATOM 3 C ASP A 11 -0.491 -0.175 -2.458 1.00 41.23 C ATOM 4 O ASP A 11 -0.679 -0.393 -3.655 1.00 71.33 O ATOM 5 CB ASP A 11 -0.048 2.287 -2.412 1.00 2.33 C ATOM 6 CG ASP A 11 -0.157 2.380 -3.921 1.00 13.31 C ATOM 7 OD1 ASP A 11 -1.289 2.289 -4.441 1.00 33.21 O ATOM 8 OD2 ASP A 11 0.889 2.546 -4.582 1.00 71.42 O ATOM 0 HA ASP A 11 -1.947 1.343 -2.069 1.00 64.41 H new ATOM 0 HB2 ASP A 11 -0.358 3.234 -1.969 1.00 2.33 H new ATOM 0 HB3 ASP A 11 0.995 2.131 -2.135 1.00 2.33 H new ATOM 13 N TYR A 12 0.069 -1.060 -1.641 1.00 10.41 N ATOM 14 CA TYR A 12 0.507 -2.367 -2.114 1.00 72.34 C ATOM 15 C TYR A 12 -0.687 -3.231 -2.511 1.00 1.22 C ATOM 16 O TYR A 12 -0.551 -4.182 -3.280 1.00 62.40 O ATOM 17 CB TYR A 12 1.327 -3.076 -1.035 1.00 14.33 C ATOM 18 CG TYR A 12 2.502 -2.265 -0.537 1.00 15.41 C ATOM 19 CD1 TYR A 12 3.677 -2.184 -1.274 1.00 11.33 C ATOM 20 CD2 TYR A 12 2.437 -1.580 0.670 1.00 30.14 C ATOM 21 CE1 TYR A 12 4.753 -1.444 -0.823 1.00 23.43 C ATOM 22 CE2 TYR A 12 3.508 -0.837 1.128 1.00 32.35 C ATOM 23 CZ TYR A 12 4.664 -0.773 0.379 1.00 53.33 C ATOM 24 OH TYR A 12 5.733 -0.035 0.832 1.00 1.03 O ATOM 0 H TYR A 12 0.230 -0.896 -0.647 1.00 10.41 H new ATOM 0 HA TYR A 12 1.132 -2.215 -2.994 1.00 72.34 H new ATOM 0 HB2 TYR A 12 0.677 -3.313 -0.193 1.00 14.33 H new ATOM 0 HB3 TYR A 12 1.692 -4.023 -1.432 1.00 14.33 H new ATOM 0 HD1 TYR A 12 3.750 -2.708 -2.215 1.00 11.33 H new ATOM 0 HD2 TYR A 12 1.534 -1.629 1.260 1.00 30.14 H new ATOM 0 HE1 TYR A 12 5.659 -1.391 -1.408 1.00 23.43 H new ATOM 0 HE2 TYR A 12 3.440 -0.309 2.068 1.00 32.35 H new ATOM 0 HH TYR A 12 5.506 0.375 1.693 1.00 1.03 H new ATOM 34 N ASP A 13 -1.856 -2.891 -1.980 1.00 74.04 N ATOM 35 CA ASP A 13 -3.076 -3.633 -2.279 1.00 41.10 C ATOM 36 C ASP A 13 -3.361 -3.629 -3.778 1.00 20.24 C ATOM 37 O ASP A 13 -2.948 -4.537 -4.500 1.00 40.10 O ATOM 38 CB ASP A 13 -4.261 -3.034 -1.520 1.00 72.13 C ATOM 39 CG ASP A 13 -5.399 -4.022 -1.351 1.00 2.10 C ATOM 40 OD1 ASP A 13 -5.177 -5.081 -0.728 1.00 65.13 O ATOM 41 OD2 ASP A 13 -6.511 -3.736 -1.842 1.00 32.11 O ATOM 0 H ASP A 13 -1.985 -2.107 -1.341 1.00 74.04 H new ATOM 0 HA ASP A 13 -2.933 -4.665 -1.958 1.00 41.10 H new ATOM 0 HB2 ASP A 13 -3.927 -2.697 -0.539 1.00 72.13 H new ATOM 0 HB3 ASP A 13 -4.623 -2.155 -2.053 1.00 72.13 H new ATOM 46 N ILE A 14 -4.070 -2.604 -4.237 1.00 43.43 N ATOM 47 CA ILE A 14 -4.410 -2.482 -5.650 1.00 24.55 C ATOM 48 C ILE A 14 -3.737 -1.265 -6.274 1.00 41.05 C ATOM 49 O ILE A 14 -3.237 -0.377 -5.583 1.00 33.43 O ATOM 50 CB ILE A 14 -5.932 -2.376 -5.855 1.00 12.51 C ATOM 51 CG1 ILE A 14 -6.620 -1.991 -4.543 1.00 61.03 C ATOM 52 CG2 ILE A 14 -6.489 -3.688 -6.386 1.00 25.20 C ATOM 53 CD1 ILE A 14 -8.061 -1.565 -4.719 1.00 4.52 C ATOM 0 H ILE A 14 -4.420 -1.846 -3.652 1.00 43.43 H new ATOM 0 HA ILE A 14 -4.048 -3.385 -6.141 1.00 24.55 H new ATOM 0 HB ILE A 14 -6.130 -1.596 -6.590 1.00 12.51 H new ATOM 0 HG12 ILE A 14 -6.581 -2.839 -3.859 1.00 61.03 H new ATOM 0 HG13 ILE A 14 -6.064 -1.179 -4.075 1.00 61.03 H new ATOM 0 HG21 ILE A 14 -7.566 -3.596 -6.525 1.00 25.20 H new ATOM 0 HG22 ILE A 14 -6.018 -3.923 -7.341 1.00 25.20 H new ATOM 0 HG23 ILE A 14 -6.282 -4.486 -5.673 1.00 25.20 H new ATOM 0 HD11 ILE A 14 -8.485 -1.307 -3.749 1.00 4.52 H new ATOM 0 HD12 ILE A 14 -8.106 -0.697 -5.377 1.00 4.52 H new ATOM 0 HD13 ILE A 14 -8.631 -2.384 -5.158 1.00 4.52 H new ATOM 65 N PRO A 15 -3.724 -1.219 -7.615 1.00 12.01 N ATOM 66 CA PRO A 15 -3.118 -0.114 -8.363 1.00 51.23 C ATOM 67 C PRO A 15 -3.912 1.181 -8.229 1.00 4.42 C ATOM 68 O PRO A 15 -3.530 2.216 -8.777 1.00 62.00 O ATOM 69 CB PRO A 15 -3.145 -0.609 -9.811 1.00 62.34 C ATOM 70 CG PRO A 15 -4.268 -1.587 -9.856 1.00 64.44 C ATOM 71 CD PRO A 15 -4.301 -2.242 -8.503 1.00 70.11 C ATOM 0 HA PRO A 15 -2.119 0.125 -7.998 1.00 51.23 H new ATOM 0 HB2 PRO A 15 -3.308 0.213 -10.508 1.00 62.34 H new ATOM 0 HB3 PRO A 15 -2.200 -1.078 -10.087 1.00 62.34 H new ATOM 0 HG2 PRO A 15 -5.212 -1.087 -10.071 1.00 64.44 H new ATOM 0 HG3 PRO A 15 -4.112 -2.325 -10.643 1.00 64.44 H new ATOM 0 HD2 PRO A 15 -5.317 -2.504 -8.208 1.00 70.11 H new ATOM 0 HD3 PRO A 15 -3.718 -3.163 -8.488 1.00 70.11 H new ATOM 79 N THR A 16 -5.019 1.119 -7.495 1.00 64.51 N ATOM 80 CA THR A 16 -5.866 2.286 -7.289 1.00 73.01 C ATOM 81 C THR A 16 -6.638 2.181 -5.979 1.00 33.51 C ATOM 82 O THR A 16 -7.853 1.980 -5.976 1.00 14.31 O ATOM 83 CB THR A 16 -6.865 2.466 -8.447 1.00 55.25 C ATOM 84 OG1 THR A 16 -7.263 1.188 -8.955 1.00 64.53 O ATOM 85 CG2 THR A 16 -6.253 3.294 -9.567 1.00 4.01 C ATOM 0 H THR A 16 -5.349 0.272 -7.033 1.00 64.51 H new ATOM 0 HA THR A 16 -5.206 3.153 -7.250 1.00 73.01 H new ATOM 0 HB THR A 16 -7.739 2.992 -8.064 1.00 55.25 H new ATOM 0 HG1 THR A 16 -7.900 1.312 -9.690 1.00 64.53 H new ATOM 0 HG21 THR A 16 -6.978 3.407 -10.373 1.00 4.01 H new ATOM 0 HG22 THR A 16 -5.979 4.277 -9.185 1.00 4.01 H new ATOM 0 HG23 THR A 16 -5.363 2.791 -9.947 1.00 4.01 H new ATOM 93 N THR A 17 -5.926 2.317 -4.865 1.00 2.22 N ATOM 94 CA THR A 17 -6.544 2.237 -3.547 1.00 71.15 C ATOM 95 C THR A 17 -7.300 3.518 -3.216 1.00 53.30 C ATOM 96 O THR A 17 -7.551 4.346 -4.092 1.00 24.43 O ATOM 97 CB THR A 17 -5.496 1.974 -2.450 1.00 3.51 C ATOM 98 OG1 THR A 17 -4.529 3.031 -2.433 1.00 62.54 O ATOM 99 CG2 THR A 17 -4.796 0.643 -2.677 1.00 70.11 C ATOM 0 H THR A 17 -4.920 2.483 -4.849 1.00 2.22 H new ATOM 0 HA THR A 17 -7.245 1.402 -3.576 1.00 71.15 H new ATOM 0 HB THR A 17 -6.010 1.936 -1.489 1.00 3.51 H new ATOM 0 HG1 THR A 17 -3.689 2.700 -2.053 1.00 62.54 H new ATOM 0 HG21 THR A 17 -4.060 0.480 -1.889 1.00 70.11 H new ATOM 0 HG22 THR A 17 -5.531 -0.162 -2.660 1.00 70.11 H new ATOM 0 HG23 THR A 17 -4.294 0.656 -3.645 1.00 70.11 H new ATOM 107 N GLU A 18 -7.661 3.676 -1.946 1.00 61.42 N ATOM 108 CA GLU A 18 -8.389 4.858 -1.500 1.00 72.44 C ATOM 109 C GLU A 18 -7.733 5.467 -0.264 1.00 74.25 C ATOM 110 O GLU A 18 -6.819 6.283 -0.373 1.00 34.05 O ATOM 111 CB GLU A 18 -9.846 4.502 -1.195 1.00 63.34 C ATOM 112 CG GLU A 18 -10.640 4.086 -2.422 1.00 33.41 C ATOM 113 CD GLU A 18 -11.528 5.197 -2.947 1.00 3.51 C ATOM 114 OE1 GLU A 18 -12.559 5.487 -2.305 1.00 41.52 O ATOM 115 OE2 GLU A 18 -11.190 5.778 -4.000 1.00 31.10 O ATOM 0 H GLU A 18 -7.461 3.000 -1.208 1.00 61.42 H new ATOM 0 HA GLU A 18 -8.363 5.594 -2.304 1.00 72.44 H new ATOM 0 HB2 GLU A 18 -9.868 3.692 -0.466 1.00 63.34 H new ATOM 0 HB3 GLU A 18 -10.332 5.361 -0.732 1.00 63.34 H new ATOM 0 HG2 GLU A 18 -9.951 3.775 -3.207 1.00 33.41 H new ATOM 0 HG3 GLU A 18 -11.255 3.220 -2.176 1.00 33.41 H new ATOM 122 N ASN A 19 -8.208 5.064 0.910 1.00 74.54 N ATOM 123 CA ASN A 19 -7.670 5.570 2.167 1.00 63.13 C ATOM 124 C ASN A 19 -6.253 5.054 2.398 1.00 4.32 C ATOM 125 O ASN A 19 -5.662 5.282 3.455 1.00 33.42 O ATOM 126 CB ASN A 19 -8.571 5.160 3.334 1.00 45.25 C ATOM 127 CG ASN A 19 -9.960 5.758 3.229 1.00 51.51 C ATOM 128 OD1 ASN A 19 -10.877 5.137 2.692 1.00 30.42 O ATOM 129 ND2 ASN A 19 -10.122 6.972 3.743 1.00 44.32 N ATOM 0 H ASN A 19 -8.965 4.388 1.017 1.00 74.54 H new ATOM 0 HA ASN A 19 -7.637 6.658 2.108 1.00 63.13 H new ATOM 0 HB2 ASN A 19 -8.648 4.073 3.366 1.00 45.25 H new ATOM 0 HB3 ASN A 19 -8.113 5.475 4.271 1.00 45.25 H new ATOM 0 HD21 ASN A 19 -11.035 7.426 3.702 1.00 44.32 H new ATOM 0 HD22 ASN A 19 -9.334 7.450 4.179 1.00 44.32 H new ATOM 136 N LEU A 20 -5.712 4.360 1.403 1.00 21.44 N ATOM 137 CA LEU A 20 -4.363 3.812 1.497 1.00 32.44 C ATOM 138 C LEU A 20 -3.326 4.837 1.049 1.00 75.44 C ATOM 139 O LEU A 20 -2.216 4.885 1.579 1.00 72.55 O ATOM 140 CB LEU A 20 -4.246 2.545 0.648 1.00 63.01 C ATOM 141 CG LEU A 20 -4.776 1.259 1.283 1.00 11.22 C ATOM 142 CD1 LEU A 20 -6.277 1.355 1.508 1.00 30.24 C ATOM 143 CD2 LEU A 20 -4.441 0.057 0.413 1.00 70.32 C ATOM 0 H LEU A 20 -6.186 4.163 0.522 1.00 21.44 H new ATOM 0 HA LEU A 20 -4.171 3.562 2.540 1.00 32.44 H new ATOM 0 HB2 LEU A 20 -4.778 2.710 -0.289 1.00 63.01 H new ATOM 0 HB3 LEU A 20 -3.196 2.396 0.397 1.00 63.01 H new ATOM 0 HG LEU A 20 -4.292 1.128 2.251 1.00 11.22 H new ATOM 0 HD11 LEU A 20 -6.637 0.431 1.961 1.00 30.24 H new ATOM 0 HD12 LEU A 20 -6.493 2.192 2.172 1.00 30.24 H new ATOM 0 HD13 LEU A 20 -6.779 1.511 0.553 1.00 30.24 H new ATOM 0 HD21 LEU A 20 -4.826 -0.849 0.881 1.00 70.32 H new ATOM 0 HD22 LEU A 20 -4.897 0.180 -0.569 1.00 70.32 H new ATOM 0 HD23 LEU A 20 -3.359 -0.023 0.303 1.00 70.32 H new ATOM 155 N TYR A 21 -3.697 5.656 0.071 1.00 71.32 N ATOM 156 CA TYR A 21 -2.799 6.680 -0.450 1.00 14.15 C ATOM 157 C TYR A 21 -2.486 7.724 0.618 1.00 34.34 C ATOM 158 O TYR A 21 -1.530 8.489 0.494 1.00 22.21 O ATOM 159 CB TYR A 21 -3.419 7.357 -1.674 1.00 23.34 C ATOM 160 CG TYR A 21 -3.956 8.742 -1.393 1.00 34.33 C ATOM 161 CD1 TYR A 21 -3.105 9.837 -1.320 1.00 43.34 C ATOM 162 CD2 TYR A 21 -5.315 8.955 -1.199 1.00 35.34 C ATOM 163 CE1 TYR A 21 -3.591 11.104 -1.063 1.00 52.53 C ATOM 164 CE2 TYR A 21 -5.811 10.219 -0.943 1.00 20.54 C ATOM 165 CZ TYR A 21 -4.945 11.290 -0.876 1.00 10.04 C ATOM 166 OH TYR A 21 -5.435 12.550 -0.619 1.00 44.33 O ATOM 0 H TYR A 21 -4.613 5.631 -0.377 1.00 71.32 H new ATOM 0 HA TYR A 21 -1.868 6.196 -0.744 1.00 14.15 H new ATOM 0 HB2 TYR A 21 -2.669 7.420 -2.462 1.00 23.34 H new ATOM 0 HB3 TYR A 21 -4.228 6.733 -2.053 1.00 23.34 H new ATOM 0 HD1 TYR A 21 -2.044 9.695 -1.467 1.00 43.34 H new ATOM 0 HD2 TYR A 21 -5.996 8.118 -1.249 1.00 35.34 H new ATOM 0 HE1 TYR A 21 -2.915 11.944 -1.009 1.00 52.53 H new ATOM 0 HE2 TYR A 21 -6.871 10.367 -0.796 1.00 20.54 H new ATOM 0 HH TYR A 21 -6.030 12.517 0.159 1.00 44.33 H new ATOM 176 N PHE A 22 -3.300 7.748 1.669 1.00 41.11 N ATOM 177 CA PHE A 22 -3.112 8.697 2.760 1.00 44.21 C ATOM 178 C PHE A 22 -2.238 8.097 3.858 1.00 40.42 C ATOM 179 O PHE A 22 -1.146 8.593 4.136 1.00 72.35 O ATOM 180 CB PHE A 22 -4.464 9.115 3.340 1.00 35.31 C ATOM 181 CG PHE A 22 -4.883 10.502 2.946 1.00 52.31 C ATOM 182 CD1 PHE A 22 -4.043 11.582 3.163 1.00 24.05 C ATOM 183 CD2 PHE A 22 -6.118 10.727 2.358 1.00 22.14 C ATOM 184 CE1 PHE A 22 -4.425 12.860 2.802 1.00 43.14 C ATOM 185 CE2 PHE A 22 -6.505 12.003 1.994 1.00 31.41 C ATOM 186 CZ PHE A 22 -5.658 13.071 2.217 1.00 31.31 C ATOM 0 H PHE A 22 -4.096 7.121 1.788 1.00 41.11 H new ATOM 0 HA PHE A 22 -2.609 9.577 2.360 1.00 44.21 H new ATOM 0 HB2 PHE A 22 -5.225 8.407 3.012 1.00 35.31 H new ATOM 0 HB3 PHE A 22 -4.419 9.053 4.427 1.00 35.31 H new ATOM 0 HD1 PHE A 22 -3.077 11.423 3.620 1.00 24.05 H new ATOM 0 HD2 PHE A 22 -6.785 9.896 2.182 1.00 22.14 H new ATOM 0 HE1 PHE A 22 -3.760 13.693 2.977 1.00 43.14 H new ATOM 0 HE2 PHE A 22 -7.469 12.165 1.535 1.00 31.41 H new ATOM 0 HZ PHE A 22 -5.959 14.069 1.934 1.00 31.31 H new ATOM 196 N GLN A 23 -2.728 7.029 4.478 1.00 20.02 N ATOM 197 CA GLN A 23 -1.993 6.362 5.546 1.00 2.55 C ATOM 198 C GLN A 23 -0.710 5.733 5.014 1.00 43.21 C ATOM 199 O GLN A 23 0.360 5.888 5.602 1.00 50.25 O ATOM 200 CB GLN A 23 -2.865 5.292 6.204 1.00 73.33 C ATOM 201 CG GLN A 23 -4.296 5.741 6.452 1.00 11.24 C ATOM 202 CD GLN A 23 -4.373 7.069 7.180 1.00 24.23 C ATOM 203 OE1 GLN A 23 -4.986 8.021 6.697 1.00 62.35 O ATOM 204 NE2 GLN A 23 -3.749 7.139 8.350 1.00 2.54 N ATOM 0 H GLN A 23 -3.631 6.607 4.259 1.00 20.02 H new ATOM 0 HA GLN A 23 -1.726 7.111 6.291 1.00 2.55 H new ATOM 0 HB2 GLN A 23 -2.876 4.405 5.571 1.00 73.33 H new ATOM 0 HB3 GLN A 23 -2.415 5.001 7.153 1.00 73.33 H new ATOM 0 HG2 GLN A 23 -4.818 5.823 5.498 1.00 11.24 H new ATOM 0 HG3 GLN A 23 -4.816 4.981 7.035 1.00 11.24 H new ATOM 0 HE21 GLN A 23 -3.253 6.325 8.713 1.00 2.54 H new ATOM 0 HE22 GLN A 23 -3.766 8.007 8.886 1.00 2.54 H new ATOM 213 N GLY A 24 -0.825 5.022 3.896 1.00 24.45 N ATOM 214 CA GLY A 24 0.334 4.379 3.304 1.00 53.12 C ATOM 215 C GLY A 24 1.538 5.297 3.243 1.00 4.22 C ATOM 216 O GLY A 24 2.620 4.945 3.713 1.00 32.02 O ATOM 0 H GLY A 24 -1.699 4.880 3.390 1.00 24.45 H new ATOM 0 HA2 GLY A 24 0.587 3.490 3.882 1.00 53.12 H new ATOM 0 HA3 GLY A 24 0.085 4.044 2.297 1.00 53.12 H new ATOM 220 N ALA A 25 1.352 6.477 2.661 1.00 2.54 N ATOM 221 CA ALA A 25 2.432 7.449 2.541 1.00 24.23 C ATOM 222 C ALA A 25 2.388 8.462 3.680 1.00 43.43 C ATOM 223 O ALA A 25 2.417 9.671 3.449 1.00 62.24 O ATOM 224 CB ALA A 25 2.357 8.158 1.197 1.00 4.03 C ATOM 0 H ALA A 25 0.463 6.783 2.265 1.00 2.54 H new ATOM 0 HA ALA A 25 3.379 6.913 2.604 1.00 24.23 H new ATOM 0 HB1 ALA A 25 3.169 8.881 1.121 1.00 4.03 H new ATOM 0 HB2 ALA A 25 2.446 7.426 0.394 1.00 4.03 H new ATOM 0 HB3 ALA A 25 1.402 8.676 1.112 1.00 4.03 H new ATOM 230 N MET A 26 2.317 7.962 4.909 1.00 45.11 N ATOM 231 CA MET A 26 2.270 8.825 6.083 1.00 12.34 C ATOM 232 C MET A 26 3.588 9.572 6.263 1.00 31.43 C ATOM 233 O MET A 26 3.605 10.725 6.692 1.00 42.13 O ATOM 234 CB MET A 26 1.961 8.002 7.336 1.00 42.25 C ATOM 235 CG MET A 26 3.182 7.316 7.928 1.00 54.31 C ATOM 236 SD MET A 26 3.701 5.877 6.974 1.00 73.10 S ATOM 237 CE MET A 26 5.258 5.487 7.769 1.00 13.40 C ATOM 0 H MET A 26 2.291 6.964 5.118 1.00 45.11 H new ATOM 0 HA MET A 26 1.476 9.557 5.933 1.00 12.34 H new ATOM 0 HB2 MET A 26 1.520 8.654 8.090 1.00 42.25 H new ATOM 0 HB3 MET A 26 1.214 7.247 7.090 1.00 42.25 H new ATOM 0 HG2 MET A 26 4.005 8.029 7.980 1.00 54.31 H new ATOM 0 HG3 MET A 26 2.961 7.009 8.950 1.00 54.31 H new ATOM 0 HE1 MET A 26 6.057 5.492 7.027 1.00 13.40 H new ATOM 0 HE2 MET A 26 5.471 6.231 8.537 1.00 13.40 H new ATOM 0 HE3 MET A 26 5.195 4.500 8.228 1.00 13.40 H new ATOM 247 N ALA A 27 4.690 8.906 5.934 1.00 73.44 N ATOM 248 CA ALA A 27 6.012 9.507 6.057 1.00 13.05 C ATOM 249 C ALA A 27 6.732 9.531 4.714 1.00 60.13 C ATOM 250 O ALA A 27 6.505 10.419 3.892 1.00 2.41 O ATOM 251 CB ALA A 27 6.839 8.754 7.089 1.00 43.42 C ATOM 0 H ALA A 27 4.693 7.949 5.580 1.00 73.44 H new ATOM 0 HA ALA A 27 5.886 10.537 6.389 1.00 13.05 H new ATOM 0 HB1 ALA A 27 7.824 9.213 7.171 1.00 43.42 H new ATOM 0 HB2 ALA A 27 6.338 8.794 8.056 1.00 43.42 H new ATOM 0 HB3 ALA A 27 6.948 7.714 6.780 1.00 43.42 H new ATOM 257 N PHE A 28 7.602 8.550 4.496 1.00 34.21 N ATOM 258 CA PHE A 28 8.357 8.460 3.252 1.00 71.40 C ATOM 259 C PHE A 28 8.663 7.005 2.906 1.00 42.30 C ATOM 260 O PHE A 28 8.986 6.683 1.762 1.00 34.34 O ATOM 261 CB PHE A 28 9.660 9.255 3.363 1.00 75.45 C ATOM 262 CG PHE A 28 10.275 9.210 4.732 1.00 72.30 C ATOM 263 CD1 PHE A 28 9.793 10.018 5.749 1.00 45.51 C ATOM 264 CD2 PHE A 28 11.334 8.359 5.003 1.00 70.55 C ATOM 265 CE1 PHE A 28 10.358 9.980 7.010 1.00 64.44 C ATOM 266 CE2 PHE A 28 11.903 8.315 6.262 1.00 53.04 C ATOM 267 CZ PHE A 28 11.413 9.126 7.267 1.00 45.03 C ATOM 0 H PHE A 28 7.801 7.806 5.165 1.00 34.21 H new ATOM 0 HA PHE A 28 7.748 8.884 2.454 1.00 71.40 H new ATOM 0 HB2 PHE A 28 10.376 8.866 2.639 1.00 75.45 H new ATOM 0 HB3 PHE A 28 9.467 10.294 3.094 1.00 75.45 H new ATOM 0 HD1 PHE A 28 8.966 10.685 5.554 1.00 45.51 H new ATOM 0 HD2 PHE A 28 11.720 7.722 4.221 1.00 70.55 H new ATOM 0 HE1 PHE A 28 9.975 10.617 7.793 1.00 64.44 H new ATOM 0 HE2 PHE A 28 12.729 7.648 6.459 1.00 53.04 H new ATOM 0 HZ PHE A 28 11.854 9.093 8.252 1.00 45.03 H new ATOM 277 N ASP A 29 8.560 6.132 3.902 1.00 5.40 N ATOM 278 CA ASP A 29 8.826 4.712 3.704 1.00 13.14 C ATOM 279 C ASP A 29 8.976 3.996 5.043 1.00 71.10 C ATOM 280 O ASP A 29 9.021 2.768 5.100 1.00 74.21 O ATOM 281 CB ASP A 29 10.089 4.520 2.864 1.00 22.53 C ATOM 282 CG ASP A 29 9.784 4.025 1.464 1.00 33.22 C ATOM 283 OD1 ASP A 29 8.645 4.235 0.996 1.00 61.33 O ATOM 284 OD2 ASP A 29 10.683 3.429 0.837 1.00 65.54 O ATOM 0 H ASP A 29 8.294 6.383 4.854 1.00 5.40 H new ATOM 0 HA ASP A 29 7.978 4.279 3.174 1.00 13.14 H new ATOM 0 HB2 ASP A 29 10.628 5.465 2.802 1.00 22.53 H new ATOM 0 HB3 ASP A 29 10.748 3.809 3.362 1.00 22.53 H new ATOM 289 N GLY A 30 9.054 4.773 6.119 1.00 44.20 N ATOM 290 CA GLY A 30 9.200 4.196 7.442 1.00 20.43 C ATOM 291 C GLY A 30 8.188 3.100 7.711 1.00 33.03 C ATOM 292 O GLY A 30 8.399 2.250 8.576 1.00 50.31 O ATOM 0 H GLY A 30 9.019 5.792 6.098 1.00 44.20 H new ATOM 0 HA2 GLY A 30 10.206 3.791 7.550 1.00 20.43 H new ATOM 0 HA3 GLY A 30 9.090 4.980 8.191 1.00 20.43 H new ATOM 296 N GLU A 31 7.084 3.121 6.970 1.00 64.52 N ATOM 297 CA GLU A 31 6.035 2.122 7.136 1.00 72.05 C ATOM 298 C GLU A 31 6.567 0.721 6.851 1.00 64.50 C ATOM 299 O GLU A 31 6.787 0.351 5.697 1.00 32.44 O ATOM 300 CB GLU A 31 4.857 2.430 6.209 1.00 74.41 C ATOM 301 CG GLU A 31 4.016 1.211 5.868 1.00 33.24 C ATOM 302 CD GLU A 31 4.295 0.680 4.476 1.00 71.12 C ATOM 303 OE1 GLU A 31 4.028 1.410 3.499 1.00 52.45 O ATOM 304 OE2 GLU A 31 4.780 -0.465 4.363 1.00 70.12 O ATOM 0 H GLU A 31 6.893 3.818 6.250 1.00 64.52 H new ATOM 0 HA GLU A 31 5.694 2.159 8.171 1.00 72.05 H new ATOM 0 HB2 GLU A 31 4.221 3.179 6.680 1.00 74.41 H new ATOM 0 HB3 GLU A 31 5.237 2.869 5.286 1.00 74.41 H new ATOM 0 HG2 GLU A 31 4.210 0.425 6.598 1.00 33.24 H new ATOM 0 HG3 GLU A 31 2.960 1.469 5.950 1.00 33.24 H new ATOM 311 N ASP A 32 6.773 -0.054 7.910 1.00 3.15 N ATOM 312 CA ASP A 32 7.280 -1.415 7.776 1.00 53.20 C ATOM 313 C ASP A 32 6.227 -2.327 7.154 1.00 20.34 C ATOM 314 O ASP A 32 5.306 -1.861 6.485 1.00 32.10 O ATOM 315 CB ASP A 32 7.705 -1.961 9.140 1.00 15.10 C ATOM 316 CG ASP A 32 9.011 -2.728 9.075 1.00 13.24 C ATOM 317 OD1 ASP A 32 10.079 -2.088 9.164 1.00 40.43 O ATOM 318 OD2 ASP A 32 8.965 -3.968 8.936 1.00 74.14 O ATOM 0 H ASP A 32 6.597 0.237 8.872 1.00 3.15 H new ATOM 0 HA ASP A 32 8.148 -1.390 7.118 1.00 53.20 H new ATOM 0 HB2 ASP A 32 7.807 -1.134 9.843 1.00 15.10 H new ATOM 0 HB3 ASP A 32 6.922 -2.614 9.527 1.00 15.10 H new ATOM 323 N GLU A 33 6.372 -3.629 7.380 1.00 30.41 N ATOM 324 CA GLU A 33 5.434 -4.607 6.840 1.00 41.40 C ATOM 325 C GLU A 33 5.108 -5.678 7.876 1.00 31.24 C ATOM 326 O GLU A 33 5.990 -6.405 8.333 1.00 3.14 O ATOM 327 CB GLU A 33 6.010 -5.258 5.581 1.00 4.10 C ATOM 328 CG GLU A 33 7.457 -5.698 5.731 1.00 31.11 C ATOM 329 CD GLU A 33 7.766 -6.961 4.951 1.00 45.24 C ATOM 330 OE1 GLU A 33 7.627 -6.941 3.710 1.00 64.21 O ATOM 331 OE2 GLU A 33 8.148 -7.969 5.582 1.00 43.25 O ATOM 0 H GLU A 33 7.129 -4.031 7.933 1.00 30.41 H new ATOM 0 HA GLU A 33 4.513 -4.084 6.581 1.00 41.40 H new ATOM 0 HB2 GLU A 33 5.401 -6.123 5.319 1.00 4.10 H new ATOM 0 HB3 GLU A 33 5.937 -4.554 4.752 1.00 4.10 H new ATOM 0 HG2 GLU A 33 8.114 -4.897 5.392 1.00 31.11 H new ATOM 0 HG3 GLU A 33 7.675 -5.864 6.786 1.00 31.11 H new ATOM 338 N VAL A 34 3.834 -5.770 8.243 1.00 14.34 N ATOM 339 CA VAL A 34 3.389 -6.752 9.225 1.00 4.11 C ATOM 340 C VAL A 34 3.411 -8.160 8.642 1.00 75.32 C ATOM 341 O VAL A 34 3.209 -8.351 7.442 1.00 75.10 O ATOM 342 CB VAL A 34 1.968 -6.438 9.729 1.00 23.25 C ATOM 343 CG1 VAL A 34 1.395 -7.628 10.485 1.00 50.51 C ATOM 344 CG2 VAL A 34 1.977 -5.194 10.605 1.00 55.04 C ATOM 0 H VAL A 34 3.091 -5.176 7.875 1.00 14.34 H new ATOM 0 HA VAL A 34 4.083 -6.698 10.064 1.00 4.11 H new ATOM 0 HB VAL A 34 1.330 -6.243 8.867 1.00 23.25 H new ATOM 0 HG11 VAL A 34 0.391 -7.388 10.834 1.00 50.51 H new ATOM 0 HG12 VAL A 34 1.352 -8.493 9.823 1.00 50.51 H new ATOM 0 HG13 VAL A 34 2.031 -7.856 11.340 1.00 50.51 H new ATOM 0 HG21 VAL A 34 0.965 -4.986 10.953 1.00 55.04 H new ATOM 0 HG22 VAL A 34 2.629 -5.358 11.463 1.00 55.04 H new ATOM 0 HG23 VAL A 34 2.344 -4.345 10.028 1.00 55.04 H new ATOM 354 N THR A 35 3.656 -9.146 9.499 1.00 61.41 N ATOM 355 CA THR A 35 3.704 -10.538 9.069 1.00 24.23 C ATOM 356 C THR A 35 2.711 -11.390 9.851 1.00 13.20 C ATOM 357 O THR A 35 2.595 -12.593 9.623 1.00 60.14 O ATOM 358 CB THR A 35 5.116 -11.130 9.240 1.00 22.20 C ATOM 359 OG1 THR A 35 5.246 -11.721 10.538 1.00 71.11 O ATOM 360 CG2 THR A 35 6.179 -10.057 9.057 1.00 13.04 C ATOM 0 H THR A 35 3.824 -9.006 10.495 1.00 61.41 H new ATOM 0 HA THR A 35 3.437 -10.551 8.012 1.00 24.23 H new ATOM 0 HB THR A 35 5.260 -11.895 8.477 1.00 22.20 H new ATOM 0 HG1 THR A 35 6.146 -12.096 10.638 1.00 71.11 H new ATOM 0 HG21 THR A 35 7.167 -10.499 9.182 1.00 13.04 H new ATOM 0 HG22 THR A 35 6.097 -9.630 8.058 1.00 13.04 H new ATOM 0 HG23 THR A 35 6.036 -9.272 9.800 1.00 13.04 H new ATOM 368 N GLY A 36 1.994 -10.757 10.775 1.00 52.32 N ATOM 369 CA GLY A 36 1.018 -11.472 11.576 1.00 22.40 C ATOM 370 C GLY A 36 -0.251 -10.673 11.794 1.00 32.34 C ATOM 371 O GLY A 36 -0.603 -9.798 11.003 1.00 73.51 O ATOM 0 H GLY A 36 2.072 -9.761 10.983 1.00 52.32 H new ATOM 0 HA2 GLY A 36 0.771 -12.414 11.086 1.00 22.40 H new ATOM 0 HA3 GLY A 36 1.457 -11.721 12.542 1.00 22.40 H new ATOM 375 N PRO A 37 -0.963 -10.974 12.891 1.00 71.03 N ATOM 376 CA PRO A 37 -2.213 -10.289 13.236 1.00 65.33 C ATOM 377 C PRO A 37 -1.982 -8.843 13.662 1.00 35.52 C ATOM 378 O PRO A 37 -0.903 -8.290 13.455 1.00 3.52 O ATOM 379 CB PRO A 37 -2.756 -11.112 14.406 1.00 34.12 C ATOM 380 CG PRO A 37 -1.554 -11.747 15.014 1.00 24.01 C ATOM 381 CD PRO A 37 -0.603 -12.005 13.878 1.00 21.31 C ATOM 0 HA PRO A 37 -2.894 -10.229 12.387 1.00 65.33 H new ATOM 0 HB2 PRO A 37 -3.277 -10.481 15.126 1.00 34.12 H new ATOM 0 HB3 PRO A 37 -3.470 -11.862 14.065 1.00 34.12 H new ATOM 0 HG2 PRO A 37 -1.102 -11.093 15.760 1.00 24.01 H new ATOM 0 HG3 PRO A 37 -1.817 -12.675 15.521 1.00 24.01 H new ATOM 0 HD2 PRO A 37 0.436 -11.913 14.195 1.00 21.31 H new ATOM 0 HD3 PRO A 37 -0.725 -13.009 13.472 1.00 21.31 H new ATOM 389 N ASP A 38 -3.003 -8.238 14.259 1.00 74.12 N ATOM 390 CA ASP A 38 -2.912 -6.856 14.716 1.00 23.42 C ATOM 391 C ASP A 38 -1.782 -6.693 15.728 1.00 2.11 C ATOM 392 O ASP A 38 -1.171 -5.629 15.825 1.00 61.05 O ATOM 393 CB ASP A 38 -4.237 -6.413 15.337 1.00 33.32 C ATOM 394 CG ASP A 38 -4.992 -7.564 15.972 1.00 34.25 C ATOM 395 OD1 ASP A 38 -4.624 -7.967 17.095 1.00 11.04 O ATOM 396 OD2 ASP A 38 -5.951 -8.063 15.346 1.00 13.22 O ATOM 0 H ASP A 38 -3.903 -8.683 14.438 1.00 74.12 H new ATOM 0 HA ASP A 38 -2.697 -6.227 13.852 1.00 23.42 H new ATOM 0 HB2 ASP A 38 -4.044 -5.649 16.090 1.00 33.32 H new ATOM 0 HB3 ASP A 38 -4.859 -5.954 14.569 1.00 33.32 H new ATOM 401 N ALA A 39 -1.511 -7.754 16.481 1.00 4.11 N ATOM 402 CA ALA A 39 -0.454 -7.728 17.485 1.00 70.10 C ATOM 403 C ALA A 39 0.896 -7.409 16.853 1.00 44.24 C ATOM 404 O ALA A 39 1.766 -6.815 17.490 1.00 1.12 O ATOM 405 CB ALA A 39 -0.393 -9.058 18.221 1.00 21.31 C ATOM 0 H ALA A 39 -2.009 -8.642 16.415 1.00 4.11 H new ATOM 0 HA ALA A 39 -0.686 -6.939 18.201 1.00 70.10 H new ATOM 0 HB1 ALA A 39 0.400 -9.025 18.968 1.00 21.31 H new ATOM 0 HB2 ALA A 39 -1.347 -9.245 18.714 1.00 21.31 H new ATOM 0 HB3 ALA A 39 -0.189 -9.858 17.510 1.00 21.31 H new ATOM 411 N ASP A 40 1.065 -7.807 15.597 1.00 61.04 N ATOM 412 CA ASP A 40 2.310 -7.563 14.878 1.00 42.22 C ATOM 413 C ASP A 40 2.401 -6.108 14.427 1.00 70.21 C ATOM 414 O ASP A 40 3.485 -5.526 14.390 1.00 61.23 O ATOM 415 CB ASP A 40 2.416 -8.492 13.668 1.00 63.32 C ATOM 416 CG ASP A 40 2.678 -9.932 14.065 1.00 43.21 C ATOM 417 OD1 ASP A 40 2.084 -10.390 15.064 1.00 44.33 O ATOM 418 OD2 ASP A 40 3.477 -10.601 13.376 1.00 14.23 O ATOM 0 H ASP A 40 0.355 -8.300 15.055 1.00 61.04 H new ATOM 0 HA ASP A 40 3.138 -7.767 15.557 1.00 42.22 H new ATOM 0 HB2 ASP A 40 1.493 -8.439 13.091 1.00 63.32 H new ATOM 0 HB3 ASP A 40 3.219 -8.146 13.017 1.00 63.32 H new ATOM 423 N ARG A 41 1.256 -5.528 14.084 1.00 14.32 N ATOM 424 CA ARG A 41 1.206 -4.142 13.633 1.00 23.15 C ATOM 425 C ARG A 41 1.402 -3.182 14.804 1.00 73.44 C ATOM 426 O ARG A 41 2.145 -2.207 14.702 1.00 51.14 O ATOM 427 CB ARG A 41 -0.128 -3.856 12.942 1.00 11.54 C ATOM 428 CG ARG A 41 -1.173 -3.247 13.864 1.00 62.04 C ATOM 429 CD ARG A 41 -2.490 -3.020 13.139 1.00 50.53 C ATOM 430 NE ARG A 41 -3.629 -3.520 13.903 1.00 31.32 N ATOM 431 CZ ARG A 41 -4.012 -3.012 15.069 1.00 20.23 C ATOM 432 NH1 ARG A 41 -3.350 -1.994 15.602 1.00 74.01 N ATOM 433 NH2 ARG A 41 -5.059 -3.522 15.705 1.00 71.30 N ATOM 0 H ARG A 41 0.350 -5.996 14.110 1.00 14.32 H new ATOM 0 HA ARG A 41 2.016 -3.988 12.920 1.00 23.15 H new ATOM 0 HB2 ARG A 41 0.044 -3.180 12.105 1.00 11.54 H new ATOM 0 HB3 ARG A 41 -0.519 -4.785 12.527 1.00 11.54 H new ATOM 0 HG2 ARG A 41 -1.335 -3.905 14.718 1.00 62.04 H new ATOM 0 HG3 ARG A 41 -0.805 -2.300 14.258 1.00 62.04 H new ATOM 0 HD2 ARG A 41 -2.620 -1.955 12.950 1.00 50.53 H new ATOM 0 HD3 ARG A 41 -2.459 -3.515 12.168 1.00 50.53 H new ATOM 0 HE ARG A 41 -4.160 -4.302 13.520 1.00 31.32 H new ATOM 0 HH11 ARG A 41 -2.545 -1.599 15.116 1.00 74.01 H new ATOM 0 HH12 ARG A 41 -3.646 -1.606 16.498 1.00 74.01 H new ATOM 0 HH21 ARG A 41 -5.571 -4.305 15.299 1.00 71.30 H new ATOM 0 HH22 ARG A 41 -5.352 -3.131 16.600 1.00 71.30 H new ATOM 447 N ALA A 42 0.729 -3.467 15.914 1.00 51.41 N ATOM 448 CA ALA A 42 0.830 -2.630 17.103 1.00 33.14 C ATOM 449 C ALA A 42 2.221 -2.719 17.721 1.00 30.51 C ATOM 450 O ALA A 42 2.705 -1.762 18.326 1.00 74.24 O ATOM 451 CB ALA A 42 -0.228 -3.030 18.121 1.00 34.10 C ATOM 0 H ALA A 42 0.109 -4.270 16.015 1.00 51.41 H new ATOM 0 HA ALA A 42 0.659 -1.596 16.804 1.00 33.14 H new ATOM 0 HB1 ALA A 42 -0.141 -2.397 19.004 1.00 34.10 H new ATOM 0 HB2 ALA A 42 -1.219 -2.908 17.683 1.00 34.10 H new ATOM 0 HB3 ALA A 42 -0.083 -4.072 18.406 1.00 34.10 H new ATOM 457 N ARG A 43 2.859 -3.875 17.566 1.00 42.22 N ATOM 458 CA ARG A 43 4.195 -4.089 18.110 1.00 35.23 C ATOM 459 C ARG A 43 5.263 -3.579 17.147 1.00 33.33 C ATOM 460 O ARG A 43 6.210 -2.908 17.555 1.00 51.44 O ATOM 461 CB ARG A 43 4.419 -5.575 18.398 1.00 51.15 C ATOM 462 CG ARG A 43 4.733 -6.395 17.157 1.00 54.55 C ATOM 463 CD ARG A 43 4.792 -7.881 17.471 1.00 33.20 C ATOM 464 NE ARG A 43 5.728 -8.588 16.601 1.00 52.12 N ATOM 465 CZ ARG A 43 5.752 -9.909 16.467 1.00 24.31 C ATOM 466 NH1 ARG A 43 4.897 -10.663 17.143 1.00 74.40 N ATOM 467 NH2 ARG A 43 6.634 -10.479 15.655 1.00 1.14 N ATOM 0 H ARG A 43 2.472 -4.677 17.069 1.00 42.22 H new ATOM 0 HA ARG A 43 4.275 -3.529 19.042 1.00 35.23 H new ATOM 0 HB2 ARG A 43 5.239 -5.679 19.109 1.00 51.15 H new ATOM 0 HB3 ARG A 43 3.528 -5.982 18.876 1.00 51.15 H new ATOM 0 HG2 ARG A 43 3.973 -6.213 16.397 1.00 54.55 H new ATOM 0 HG3 ARG A 43 5.686 -6.072 16.738 1.00 54.55 H new ATOM 0 HD2 ARG A 43 5.088 -8.020 18.511 1.00 33.20 H new ATOM 0 HD3 ARG A 43 3.798 -8.314 17.362 1.00 33.20 H new ATOM 0 HE ARG A 43 6.400 -8.037 16.067 1.00 52.12 H new ATOM 0 HH11 ARG A 43 4.218 -10.229 17.768 1.00 74.40 H new ATOM 0 HH12 ARG A 43 4.918 -11.677 17.038 1.00 74.40 H new ATOM 0 HH21 ARG A 43 7.294 -9.902 15.133 1.00 1.14 H new ATOM 0 HH22 ARG A 43 6.652 -11.494 15.553 1.00 1.14 H new ATOM 481 N ALA A 44 5.103 -3.904 15.869 1.00 73.14 N ATOM 482 CA ALA A 44 6.052 -3.478 14.848 1.00 71.13 C ATOM 483 C ALA A 44 5.832 -2.017 14.469 1.00 24.25 C ATOM 484 O ALA A 44 6.724 -1.184 14.630 1.00 72.11 O ATOM 485 CB ALA A 44 5.938 -4.367 13.618 1.00 44.52 C ATOM 0 H ALA A 44 4.325 -4.461 15.516 1.00 73.14 H new ATOM 0 HA ALA A 44 7.057 -3.572 15.259 1.00 71.13 H new ATOM 0 HB1 ALA A 44 6.652 -4.038 12.864 1.00 44.52 H new ATOM 0 HB2 ALA A 44 6.152 -5.399 13.894 1.00 44.52 H new ATOM 0 HB3 ALA A 44 4.928 -4.302 13.214 1.00 44.52 H new ATOM 491 N ALA A 45 4.641 -1.714 13.966 1.00 55.21 N ATOM 492 CA ALA A 45 4.304 -0.353 13.566 1.00 20.10 C ATOM 493 C ALA A 45 4.677 0.647 14.655 1.00 45.23 C ATOM 494 O ALA A 45 4.859 1.834 14.384 1.00 20.15 O ATOM 495 CB ALA A 45 2.822 -0.251 13.238 1.00 13.34 C ATOM 0 H ALA A 45 3.892 -2.392 13.825 1.00 55.21 H new ATOM 0 HA ALA A 45 4.880 -0.110 12.673 1.00 20.10 H new ATOM 0 HB1 ALA A 45 2.585 0.771 12.941 1.00 13.34 H new ATOM 0 HB2 ALA A 45 2.583 -0.931 12.421 1.00 13.34 H new ATOM 0 HB3 ALA A 45 2.236 -0.519 14.117 1.00 13.34 H new ATOM 501 N ALA A 46 4.790 0.160 15.886 1.00 11.11 N ATOM 502 CA ALA A 46 5.143 1.012 17.015 1.00 30.32 C ATOM 503 C ALA A 46 6.439 1.769 16.748 1.00 64.35 C ATOM 504 O ALA A 46 6.437 2.991 16.599 1.00 61.34 O ATOM 505 CB ALA A 46 5.267 0.181 18.284 1.00 13.31 C ATOM 0 H ALA A 46 4.642 -0.820 16.127 1.00 11.11 H new ATOM 0 HA ALA A 46 4.347 1.744 17.149 1.00 30.32 H new ATOM 0 HB1 ALA A 46 5.531 0.830 19.119 1.00 13.31 H new ATOM 0 HB2 ALA A 46 4.316 -0.310 18.492 1.00 13.31 H new ATOM 0 HB3 ALA A 46 6.043 -0.573 18.151 1.00 13.31 H new ATOM 511 N VAL A 47 7.546 1.035 16.688 1.00 23.03 N ATOM 512 CA VAL A 47 8.850 1.637 16.438 1.00 3.42 C ATOM 513 C VAL A 47 9.376 1.256 15.059 1.00 3.11 C ATOM 514 O VAL A 47 10.305 1.879 14.545 1.00 71.11 O ATOM 515 CB VAL A 47 9.878 1.212 17.503 1.00 5.33 C ATOM 516 CG1 VAL A 47 11.184 1.971 17.319 1.00 54.33 C ATOM 517 CG2 VAL A 47 9.318 1.430 18.901 1.00 44.32 C ATOM 0 H VAL A 47 7.565 0.022 16.809 1.00 23.03 H new ATOM 0 HA VAL A 47 8.714 2.717 16.486 1.00 3.42 H new ATOM 0 HB VAL A 47 10.083 0.149 17.380 1.00 5.33 H new ATOM 0 HG11 VAL A 47 11.898 1.657 18.081 1.00 54.33 H new ATOM 0 HG12 VAL A 47 11.592 1.759 16.331 1.00 54.33 H new ATOM 0 HG13 VAL A 47 10.999 3.041 17.414 1.00 54.33 H new ATOM 0 HG21 VAL A 47 10.058 1.124 19.641 1.00 44.32 H new ATOM 0 HG22 VAL A 47 9.082 2.485 19.038 1.00 44.32 H new ATOM 0 HG23 VAL A 47 8.412 0.837 19.027 1.00 44.32 H new ATOM 527 N GLN A 48 8.776 0.229 14.466 1.00 51.52 N ATOM 528 CA GLN A 48 9.185 -0.235 13.145 1.00 13.24 C ATOM 529 C GLN A 48 8.578 0.636 12.050 1.00 34.22 C ATOM 530 O GLN A 48 9.154 0.787 10.973 1.00 13.13 O ATOM 531 CB GLN A 48 8.769 -1.693 12.943 1.00 22.01 C ATOM 532 CG GLN A 48 9.184 -2.608 14.084 1.00 2.32 C ATOM 533 CD GLN A 48 8.996 -4.075 13.754 1.00 60.23 C ATOM 534 OE1 GLN A 48 8.785 -4.441 12.597 1.00 43.11 O ATOM 535 NE2 GLN A 48 9.071 -4.926 14.771 1.00 44.33 N ATOM 0 H GLN A 48 8.006 -0.297 14.879 1.00 51.52 H new ATOM 0 HA GLN A 48 10.271 -0.162 13.081 1.00 13.24 H new ATOM 0 HB2 GLN A 48 7.686 -1.740 12.826 1.00 22.01 H new ATOM 0 HB3 GLN A 48 9.206 -2.062 12.015 1.00 22.01 H new ATOM 0 HG2 GLN A 48 10.231 -2.426 14.328 1.00 2.32 H new ATOM 0 HG3 GLN A 48 8.602 -2.362 14.972 1.00 2.32 H new ATOM 0 HE21 GLN A 48 9.248 -4.580 15.714 1.00 44.33 H new ATOM 0 HE22 GLN A 48 8.952 -5.926 14.609 1.00 44.33 H new ATOM 544 N ALA A 49 7.411 1.206 12.333 1.00 72.21 N ATOM 545 CA ALA A 49 6.727 2.063 11.372 1.00 34.45 C ATOM 546 C ALA A 49 6.783 3.524 11.803 1.00 0.31 C ATOM 547 O ALA A 49 6.439 4.422 11.034 1.00 4.22 O ATOM 548 CB ALA A 49 5.282 1.616 11.202 1.00 21.11 C ATOM 0 H ALA A 49 6.920 1.090 13.219 1.00 72.21 H new ATOM 0 HA ALA A 49 7.239 1.974 10.414 1.00 34.45 H new ATOM 0 HB1 ALA A 49 4.783 2.264 10.482 1.00 21.11 H new ATOM 0 HB2 ALA A 49 5.259 0.588 10.841 1.00 21.11 H new ATOM 0 HB3 ALA A 49 4.768 1.675 12.161 1.00 21.11 H new ATOM 554 N VAL A 50 7.218 3.756 13.038 1.00 40.44 N ATOM 555 CA VAL A 50 7.320 5.110 13.570 1.00 33.25 C ATOM 556 C VAL A 50 8.739 5.650 13.432 1.00 74.15 C ATOM 557 O VAL A 50 9.041 6.779 13.820 1.00 74.42 O ATOM 558 CB VAL A 50 6.905 5.162 15.053 1.00 62.20 C ATOM 559 CG1 VAL A 50 8.128 5.069 15.953 1.00 11.20 C ATOM 560 CG2 VAL A 50 6.116 6.430 15.341 1.00 71.02 C ATOM 0 H VAL A 50 7.505 3.024 13.688 1.00 40.44 H new ATOM 0 HA VAL A 50 6.640 5.731 12.987 1.00 33.25 H new ATOM 0 HB VAL A 50 6.263 4.307 15.263 1.00 62.20 H new ATOM 0 HG11 VAL A 50 7.816 5.107 16.997 1.00 11.20 H new ATOM 0 HG12 VAL A 50 8.648 4.130 15.764 1.00 11.20 H new ATOM 0 HG13 VAL A 50 8.798 5.903 15.744 1.00 11.20 H new ATOM 0 HG21 VAL A 50 5.831 6.450 16.393 1.00 71.02 H new ATOM 0 HG22 VAL A 50 6.732 7.301 15.115 1.00 71.02 H new ATOM 0 HG23 VAL A 50 5.219 6.449 14.722 1.00 71.02 H new ATOM 570 N PRO A 51 9.632 4.826 12.864 1.00 42.42 N ATOM 571 CA PRO A 51 11.035 5.200 12.659 1.00 12.21 C ATOM 572 C PRO A 51 11.198 6.274 11.589 1.00 3.21 C ATOM 573 O PRO A 51 12.155 7.047 11.613 1.00 42.13 O ATOM 574 CB PRO A 51 11.688 3.892 12.208 1.00 63.34 C ATOM 575 CG PRO A 51 10.579 3.103 11.603 1.00 35.21 C ATOM 576 CD PRO A 51 9.342 3.467 12.377 1.00 0.14 C ATOM 0 HA PRO A 51 11.479 5.626 13.559 1.00 12.21 H new ATOM 0 HB2 PRO A 51 12.483 4.075 11.485 1.00 63.34 H new ATOM 0 HB3 PRO A 51 12.137 3.363 13.049 1.00 63.34 H new ATOM 0 HG2 PRO A 51 10.462 3.341 10.546 1.00 35.21 H new ATOM 0 HG3 PRO A 51 10.780 2.034 11.668 1.00 35.21 H new ATOM 0 HD2 PRO A 51 8.453 3.447 11.746 1.00 0.14 H new ATOM 0 HD3 PRO A 51 9.165 2.775 13.200 1.00 0.14 H new ATOM 584 N GLY A 52 10.257 6.317 10.651 1.00 11.00 N ATOM 585 CA GLY A 52 10.315 7.301 9.586 1.00 64.33 C ATOM 586 C GLY A 52 9.680 8.619 9.978 1.00 14.45 C ATOM 587 O GLY A 52 10.303 9.674 9.869 1.00 50.32 O ATOM 0 H GLY A 52 9.455 5.688 10.610 1.00 11.00 H new ATOM 0 HA2 GLY A 52 11.355 7.471 9.309 1.00 64.33 H new ATOM 0 HA3 GLY A 52 9.811 6.907 8.704 1.00 64.33 H new ATOM 591 N GLY A 53 8.433 8.560 10.437 1.00 53.43 N ATOM 592 CA GLY A 53 7.732 9.766 10.838 1.00 1.23 C ATOM 593 C GLY A 53 6.523 9.473 11.705 1.00 44.13 C ATOM 594 O GLY A 53 6.206 10.234 12.620 1.00 62.31 O ATOM 0 H GLY A 53 7.896 7.699 10.538 1.00 53.43 H new ATOM 0 HA2 GLY A 53 8.417 10.416 11.382 1.00 1.23 H new ATOM 0 HA3 GLY A 53 7.414 10.311 9.949 1.00 1.23 H new ATOM 598 N THR A 54 5.844 8.367 11.416 1.00 41.30 N ATOM 599 CA THR A 54 4.662 7.977 12.173 1.00 32.14 C ATOM 600 C THR A 54 4.552 6.460 12.278 1.00 10.11 C ATOM 601 O THR A 54 4.984 5.734 11.383 1.00 34.13 O ATOM 602 CB THR A 54 3.375 8.530 11.532 1.00 45.35 C ATOM 603 OG1 THR A 54 3.675 9.703 10.767 1.00 40.31 O ATOM 604 CG2 THR A 54 2.340 8.863 12.595 1.00 31.31 C ATOM 0 H THR A 54 6.093 7.726 10.663 1.00 41.30 H new ATOM 0 HA THR A 54 4.773 8.401 13.171 1.00 32.14 H new ATOM 0 HB THR A 54 2.964 7.763 10.876 1.00 45.35 H new ATOM 0 HG1 THR A 54 2.852 10.048 10.361 1.00 40.31 H new ATOM 0 HG21 THR A 54 1.440 9.252 12.118 1.00 31.31 H new ATOM 0 HG22 THR A 54 2.093 7.962 13.157 1.00 31.31 H new ATOM 0 HG23 THR A 54 2.744 9.614 13.274 1.00 31.31 H new ATOM 612 N ALA A 55 3.971 5.988 13.376 1.00 20.11 N ATOM 613 CA ALA A 55 3.802 4.557 13.596 1.00 61.10 C ATOM 614 C ALA A 55 2.715 3.987 12.691 1.00 13.15 C ATOM 615 O ALA A 55 1.567 3.831 13.107 1.00 62.15 O ATOM 616 CB ALA A 55 3.474 4.282 15.056 1.00 2.42 C ATOM 0 H ALA A 55 3.609 6.576 14.127 1.00 20.11 H new ATOM 0 HA ALA A 55 4.741 4.063 13.347 1.00 61.10 H new ATOM 0 HB1 ALA A 55 3.351 3.209 15.205 1.00 2.42 H new ATOM 0 HB2 ALA A 55 4.286 4.645 15.686 1.00 2.42 H new ATOM 0 HB3 ALA A 55 2.550 4.794 15.324 1.00 2.42 H new ATOM 622 N GLY A 56 3.084 3.679 11.452 1.00 73.32 N ATOM 623 CA GLY A 56 2.127 3.130 10.508 1.00 45.52 C ATOM 624 C GLY A 56 2.727 2.041 9.642 1.00 64.32 C ATOM 625 O GLY A 56 3.417 2.326 8.663 1.00 13.33 O ATOM 0 H GLY A 56 4.028 3.799 11.085 1.00 73.32 H new ATOM 0 HA2 GLY A 56 1.273 2.727 11.053 1.00 45.52 H new ATOM 0 HA3 GLY A 56 1.750 3.930 9.871 1.00 45.52 H new ATOM 629 N GLU A 57 2.466 0.788 10.003 1.00 10.33 N ATOM 630 CA GLU A 57 2.988 -0.348 9.253 1.00 51.55 C ATOM 631 C GLU A 57 1.954 -0.861 8.255 1.00 62.44 C ATOM 632 O GLU A 57 0.772 -0.530 8.342 1.00 32.03 O ATOM 633 CB GLU A 57 3.396 -1.473 10.205 1.00 4.25 C ATOM 634 CG GLU A 57 4.243 -2.550 9.548 1.00 10.22 C ATOM 635 CD GLU A 57 4.701 -3.612 10.529 1.00 15.20 C ATOM 636 OE1 GLU A 57 4.099 -3.712 11.619 1.00 63.43 O ATOM 637 OE2 GLU A 57 5.660 -4.343 10.206 1.00 44.30 O ATOM 0 H GLU A 57 1.896 0.535 10.810 1.00 10.33 H new ATOM 0 HA GLU A 57 3.867 -0.014 8.701 1.00 51.55 H new ATOM 0 HB2 GLU A 57 3.950 -1.047 11.041 1.00 4.25 H new ATOM 0 HB3 GLU A 57 2.498 -1.931 10.619 1.00 4.25 H new ATOM 0 HG2 GLU A 57 3.670 -3.021 8.750 1.00 10.22 H new ATOM 0 HG3 GLU A 57 5.115 -2.089 9.084 1.00 10.22 H new ATOM 644 N VAL A 58 2.409 -1.673 7.305 1.00 22.02 N ATOM 645 CA VAL A 58 1.525 -2.234 6.290 1.00 1.34 C ATOM 646 C VAL A 58 1.368 -3.739 6.470 1.00 73.40 C ATOM 647 O VAL A 58 2.342 -4.488 6.398 1.00 53.24 O ATOM 648 CB VAL A 58 2.049 -1.949 4.870 1.00 22.23 C ATOM 649 CG1 VAL A 58 1.653 -3.069 3.920 1.00 22.34 C ATOM 650 CG2 VAL A 58 1.533 -0.608 4.371 1.00 31.20 C ATOM 0 H VAL A 58 3.385 -1.957 7.217 1.00 22.02 H new ATOM 0 HA VAL A 58 0.555 -1.753 6.414 1.00 1.34 H new ATOM 0 HB VAL A 58 3.137 -1.903 4.906 1.00 22.23 H new ATOM 0 HG11 VAL A 58 2.032 -2.850 2.922 1.00 22.34 H new ATOM 0 HG12 VAL A 58 2.076 -4.010 4.271 1.00 22.34 H new ATOM 0 HG13 VAL A 58 0.567 -3.150 3.886 1.00 22.34 H new ATOM 0 HG21 VAL A 58 1.913 -0.423 3.366 1.00 31.20 H new ATOM 0 HG22 VAL A 58 0.443 -0.623 4.350 1.00 31.20 H new ATOM 0 HG23 VAL A 58 1.872 0.184 5.039 1.00 31.20 H new ATOM 660 N GLU A 59 0.134 -4.176 6.704 1.00 21.31 N ATOM 661 CA GLU A 59 -0.150 -5.594 6.894 1.00 14.34 C ATOM 662 C GLU A 59 -0.689 -6.218 5.610 1.00 1.31 C ATOM 663 O GLU A 59 -1.572 -5.660 4.957 1.00 3.12 O ATOM 664 CB GLU A 59 -1.158 -5.787 8.030 1.00 50.54 C ATOM 665 CG GLU A 59 -0.922 -4.867 9.216 1.00 51.44 C ATOM 666 CD GLU A 59 -2.090 -3.934 9.472 1.00 31.22 C ATOM 667 OE1 GLU A 59 -3.131 -4.410 9.972 1.00 41.22 O ATOM 668 OE2 GLU A 59 -1.962 -2.728 9.173 1.00 35.33 O ATOM 0 H GLU A 59 -0.684 -3.569 6.766 1.00 21.31 H new ATOM 0 HA GLU A 59 0.783 -6.093 7.156 1.00 14.34 H new ATOM 0 HB2 GLU A 59 -2.164 -5.618 7.645 1.00 50.54 H new ATOM 0 HB3 GLU A 59 -1.116 -6.822 8.370 1.00 50.54 H new ATOM 0 HG2 GLU A 59 -0.740 -5.468 10.107 1.00 51.44 H new ATOM 0 HG3 GLU A 59 -0.022 -4.277 9.040 1.00 51.44 H new ATOM 675 N THR A 60 -0.150 -7.379 5.252 1.00 34.55 N ATOM 676 CA THR A 60 -0.574 -8.079 4.046 1.00 33.34 C ATOM 677 C THR A 60 -0.814 -9.559 4.325 1.00 45.14 C ATOM 678 O THR A 60 0.086 -10.268 4.773 1.00 21.25 O ATOM 679 CB THR A 60 0.469 -7.942 2.921 1.00 30.34 C ATOM 680 OG1 THR A 60 0.154 -8.838 1.849 1.00 10.15 O ATOM 681 CG2 THR A 60 1.868 -8.238 3.442 1.00 54.14 C ATOM 0 H THR A 60 0.581 -7.855 5.780 1.00 34.55 H new ATOM 0 HA THR A 60 -1.507 -7.617 3.724 1.00 33.34 H new ATOM 0 HB THR A 60 0.444 -6.916 2.555 1.00 30.34 H new ATOM 0 HG1 THR A 60 0.821 -8.744 1.137 1.00 10.15 H new ATOM 0 HG21 THR A 60 2.588 -8.135 2.630 1.00 54.14 H new ATOM 0 HG22 THR A 60 2.116 -7.536 4.238 1.00 54.14 H new ATOM 0 HG23 THR A 60 1.903 -9.255 3.832 1.00 54.14 H new ATOM 689 N GLU A 61 -2.032 -10.018 4.054 1.00 4.34 N ATOM 690 CA GLU A 61 -2.388 -11.414 4.277 1.00 62.25 C ATOM 691 C GLU A 61 -2.895 -12.058 2.989 1.00 4.21 C ATOM 692 O GLU A 61 -3.261 -11.367 2.038 1.00 45.15 O ATOM 693 CB GLU A 61 -3.454 -11.524 5.369 1.00 62.34 C ATOM 694 CG GLU A 61 -3.029 -12.381 6.549 1.00 32.24 C ATOM 695 CD GLU A 61 -3.833 -13.662 6.660 1.00 73.13 C ATOM 696 OE1 GLU A 61 -3.550 -14.607 5.894 1.00 31.31 O ATOM 697 OE2 GLU A 61 -4.745 -13.719 7.511 1.00 73.43 O ATOM 0 H GLU A 61 -2.788 -9.444 3.680 1.00 4.34 H new ATOM 0 HA GLU A 61 -1.492 -11.944 4.600 1.00 62.25 H new ATOM 0 HB2 GLU A 61 -3.700 -10.524 5.727 1.00 62.34 H new ATOM 0 HB3 GLU A 61 -4.364 -11.941 4.937 1.00 62.34 H new ATOM 0 HG2 GLU A 61 -1.972 -12.627 6.452 1.00 32.24 H new ATOM 0 HG3 GLU A 61 -3.139 -11.807 7.469 1.00 32.24 H new ATOM 704 N THR A 62 -2.913 -13.387 2.966 1.00 23.01 N ATOM 705 CA THR A 62 -3.372 -14.125 1.796 1.00 32.04 C ATOM 706 C THR A 62 -4.854 -14.467 1.909 1.00 44.42 C ATOM 707 O THR A 62 -5.323 -14.898 2.961 1.00 61.52 O ATOM 708 CB THR A 62 -2.570 -15.426 1.602 1.00 14.21 C ATOM 709 OG1 THR A 62 -2.034 -15.863 2.856 1.00 52.41 O ATOM 710 CG2 THR A 62 -1.440 -15.221 0.605 1.00 1.20 C ATOM 0 H THR A 62 -2.615 -13.974 3.745 1.00 23.01 H new ATOM 0 HA THR A 62 -3.215 -13.478 0.933 1.00 32.04 H new ATOM 0 HB THR A 62 -3.244 -16.188 1.211 1.00 14.21 H new ATOM 0 HG1 THR A 62 -2.754 -15.918 3.518 1.00 52.41 H new ATOM 0 HG21 THR A 62 -0.888 -16.153 0.484 1.00 1.20 H new ATOM 0 HG22 THR A 62 -1.854 -14.917 -0.357 1.00 1.20 H new ATOM 0 HG23 THR A 62 -0.767 -14.446 0.972 1.00 1.20 H new ATOM 718 N GLY A 63 -5.586 -14.271 0.817 1.00 52.34 N ATOM 719 CA GLY A 63 -7.007 -14.564 0.814 1.00 14.01 C ATOM 720 C GLY A 63 -7.466 -15.200 -0.483 1.00 21.40 C ATOM 721 O GLY A 63 -6.999 -16.278 -0.852 1.00 1.54 O ATOM 0 H GLY A 63 -5.220 -13.914 -0.066 1.00 52.34 H new ATOM 0 HA2 GLY A 63 -7.239 -15.231 1.644 1.00 14.01 H new ATOM 0 HA3 GLY A 63 -7.565 -13.643 0.980 1.00 14.01 H new ATOM 725 N GLU A 64 -8.384 -14.534 -1.176 1.00 1.54 N ATOM 726 CA GLU A 64 -8.907 -15.043 -2.438 1.00 20.12 C ATOM 727 C GLU A 64 -8.040 -14.589 -3.609 1.00 33.02 C ATOM 728 O GLU A 64 -8.026 -15.219 -4.665 1.00 64.23 O ATOM 729 CB GLU A 64 -10.349 -14.574 -2.644 1.00 62.42 C ATOM 730 CG GLU A 64 -11.288 -15.677 -3.104 1.00 25.45 C ATOM 731 CD GLU A 64 -12.737 -15.233 -3.140 1.00 2.33 C ATOM 732 OE1 GLU A 64 -13.212 -14.678 -2.127 1.00 3.44 O ATOM 733 OE2 GLU A 64 -13.396 -15.440 -4.180 1.00 3.42 O ATOM 0 H GLU A 64 -8.781 -13.641 -0.885 1.00 1.54 H new ATOM 0 HA GLU A 64 -8.889 -16.132 -2.397 1.00 20.12 H new ATOM 0 HB2 GLU A 64 -10.723 -14.156 -1.709 1.00 62.42 H new ATOM 0 HB3 GLU A 64 -10.359 -13.770 -3.380 1.00 62.42 H new ATOM 0 HG2 GLU A 64 -10.990 -16.012 -4.098 1.00 25.45 H new ATOM 0 HG3 GLU A 64 -11.191 -16.533 -2.437 1.00 25.45 H new ATOM 740 N GLY A 65 -7.319 -13.489 -3.412 1.00 71.44 N ATOM 741 CA GLY A 65 -6.460 -12.969 -4.460 1.00 14.50 C ATOM 742 C GLY A 65 -5.027 -12.792 -4.000 1.00 42.22 C ATOM 743 O GLY A 65 -4.330 -13.769 -3.728 1.00 34.11 O ATOM 0 H GLY A 65 -7.314 -12.949 -2.546 1.00 71.44 H new ATOM 0 HA2 GLY A 65 -6.483 -13.646 -5.314 1.00 14.50 H new ATOM 0 HA3 GLY A 65 -6.849 -12.010 -4.803 1.00 14.50 H new ATOM 747 N ALA A 66 -4.584 -11.542 -3.915 1.00 52.40 N ATOM 748 CA ALA A 66 -3.224 -11.240 -3.485 1.00 35.21 C ATOM 749 C ALA A 66 -3.219 -10.543 -2.129 1.00 15.12 C ATOM 750 O ALA A 66 -3.031 -11.180 -1.093 1.00 75.42 O ATOM 751 CB ALA A 66 -2.520 -10.381 -4.525 1.00 31.52 C ATOM 0 H ALA A 66 -5.147 -10.722 -4.138 1.00 52.40 H new ATOM 0 HA ALA A 66 -2.684 -12.181 -3.382 1.00 35.21 H new ATOM 0 HB1 ALA A 66 -1.506 -10.163 -4.191 1.00 31.52 H new ATOM 0 HB2 ALA A 66 -2.482 -10.916 -5.474 1.00 31.52 H new ATOM 0 HB3 ALA A 66 -3.067 -9.447 -4.656 1.00 31.52 H new ATOM 757 N ALA A 67 -3.427 -9.230 -2.143 1.00 25.21 N ATOM 758 CA ALA A 67 -3.447 -8.447 -0.914 1.00 11.21 C ATOM 759 C ALA A 67 -4.751 -8.656 -0.152 1.00 12.54 C ATOM 760 O ALA A 67 -5.838 -8.477 -0.701 1.00 43.40 O ATOM 761 CB ALA A 67 -3.246 -6.971 -1.225 1.00 62.12 C ATOM 0 H ALA A 67 -3.584 -8.687 -2.992 1.00 25.21 H new ATOM 0 HA ALA A 67 -2.628 -8.788 -0.281 1.00 11.21 H new ATOM 0 HB1 ALA A 67 -3.263 -6.398 -0.298 1.00 62.12 H new ATOM 0 HB2 ALA A 67 -2.285 -6.831 -1.720 1.00 62.12 H new ATOM 0 HB3 ALA A 67 -4.046 -6.625 -1.880 1.00 62.12 H new ATOM 767 N ALA A 68 -4.636 -9.036 1.117 1.00 44.44 N ATOM 768 CA ALA A 68 -5.806 -9.267 1.954 1.00 24.44 C ATOM 769 C ALA A 68 -5.505 -8.953 3.416 1.00 32.20 C ATOM 770 O ALA A 68 -5.350 -9.858 4.236 1.00 20.23 O ATOM 771 CB ALA A 68 -6.283 -10.705 1.809 1.00 43.23 C ATOM 0 H ALA A 68 -3.744 -9.190 1.587 1.00 44.44 H new ATOM 0 HA ALA A 68 -6.599 -8.597 1.621 1.00 24.44 H new ATOM 0 HB1 ALA A 68 -7.158 -10.864 2.440 1.00 43.23 H new ATOM 0 HB2 ALA A 68 -6.546 -10.898 0.769 1.00 43.23 H new ATOM 0 HB3 ALA A 68 -5.487 -11.385 2.114 1.00 43.23 H new ATOM 777 N TYR A 69 -5.424 -7.666 3.735 1.00 60.40 N ATOM 778 CA TYR A 69 -5.139 -7.233 5.098 1.00 62.23 C ATOM 779 C TYR A 69 -5.452 -5.751 5.275 1.00 43.42 C ATOM 780 O TYR A 69 -6.519 -5.279 4.885 1.00 1.32 O ATOM 781 CB TYR A 69 -3.673 -7.502 5.444 1.00 13.43 C ATOM 782 CG TYR A 69 -3.444 -7.810 6.907 1.00 43.13 C ATOM 783 CD1 TYR A 69 -4.208 -7.200 7.894 1.00 74.13 C ATOM 784 CD2 TYR A 69 -2.462 -8.710 7.301 1.00 3.15 C ATOM 785 CE1 TYR A 69 -4.002 -7.478 9.231 1.00 22.11 C ATOM 786 CE2 TYR A 69 -2.249 -8.995 8.636 1.00 31.03 C ATOM 787 CZ TYR A 69 -3.021 -8.377 9.597 1.00 15.43 C ATOM 788 OH TYR A 69 -2.812 -8.657 10.928 1.00 2.21 O ATOM 0 H TYR A 69 -5.552 -6.905 3.068 1.00 60.40 H new ATOM 0 HA TYR A 69 -5.776 -7.803 5.775 1.00 62.23 H new ATOM 0 HB2 TYR A 69 -3.314 -8.339 4.844 1.00 13.43 H new ATOM 0 HB3 TYR A 69 -3.077 -6.632 5.167 1.00 13.43 H new ATOM 0 HD1 TYR A 69 -4.977 -6.496 7.611 1.00 74.13 H new ATOM 0 HD2 TYR A 69 -1.855 -9.195 6.551 1.00 3.15 H new ATOM 0 HE1 TYR A 69 -4.605 -6.995 9.986 1.00 22.11 H new ATOM 0 HE2 TYR A 69 -1.482 -9.698 8.925 1.00 31.03 H new ATOM 0 HH TYR A 69 -1.855 -8.794 11.087 1.00 2.21 H new ATOM 798 N GLY A 70 -4.511 -5.020 5.866 1.00 22.21 N ATOM 799 CA GLY A 70 -4.703 -3.599 6.085 1.00 54.43 C ATOM 800 C GLY A 70 -3.425 -2.897 6.498 1.00 62.13 C ATOM 801 O GLY A 70 -2.408 -3.543 6.752 1.00 42.23 O ATOM 0 H GLY A 70 -3.619 -5.388 6.197 1.00 22.21 H new ATOM 0 HA2 GLY A 70 -5.086 -3.143 5.172 1.00 54.43 H new ATOM 0 HA3 GLY A 70 -5.460 -3.453 6.856 1.00 54.43 H new ATOM 805 N VAL A 71 -3.474 -1.570 6.564 1.00 72.32 N ATOM 806 CA VAL A 71 -2.311 -0.780 6.948 1.00 23.11 C ATOM 807 C VAL A 71 -2.664 0.222 8.041 1.00 40.40 C ATOM 808 O VAL A 71 -3.523 1.085 7.854 1.00 72.15 O ATOM 809 CB VAL A 71 -1.723 -0.023 5.742 1.00 15.23 C ATOM 810 CG1 VAL A 71 -2.792 0.830 5.076 1.00 43.54 C ATOM 811 CG2 VAL A 71 -0.541 0.831 6.174 1.00 24.44 C ATOM 0 H VAL A 71 -4.307 -1.020 6.356 1.00 72.32 H new ATOM 0 HA VAL A 71 -1.565 -1.479 7.327 1.00 23.11 H new ATOM 0 HB VAL A 71 -1.368 -0.753 5.014 1.00 15.23 H new ATOM 0 HG11 VAL A 71 -2.359 1.358 4.226 1.00 43.54 H new ATOM 0 HG12 VAL A 71 -3.605 0.191 4.731 1.00 43.54 H new ATOM 0 HG13 VAL A 71 -3.179 1.554 5.793 1.00 43.54 H new ATOM 0 HG21 VAL A 71 -0.138 1.359 5.309 1.00 24.44 H new ATOM 0 HG22 VAL A 71 -0.868 1.555 6.921 1.00 24.44 H new ATOM 0 HG23 VAL A 71 0.232 0.193 6.602 1.00 24.44 H new ATOM 821 N LEU A 72 -1.996 0.104 9.183 1.00 42.11 N ATOM 822 CA LEU A 72 -2.238 1.001 10.308 1.00 72.22 C ATOM 823 C LEU A 72 -1.196 2.114 10.351 1.00 55.21 C ATOM 824 O LEU A 72 -0.021 1.890 10.063 1.00 4.12 O ATOM 825 CB LEU A 72 -2.220 0.219 11.622 1.00 20.42 C ATOM 826 CG LEU A 72 -0.839 -0.163 12.157 1.00 73.52 C ATOM 827 CD1 LEU A 72 -0.019 -0.850 11.075 1.00 14.15 C ATOM 828 CD2 LEU A 72 -0.111 1.066 12.681 1.00 74.11 C ATOM 0 H LEU A 72 -1.282 -0.604 9.355 1.00 42.11 H new ATOM 0 HA LEU A 72 -3.221 1.454 10.175 1.00 72.22 H new ATOM 0 HB2 LEU A 72 -2.731 0.811 12.381 1.00 20.42 H new ATOM 0 HB3 LEU A 72 -2.800 -0.694 11.486 1.00 20.42 H new ATOM 0 HG LEU A 72 -0.971 -0.862 12.983 1.00 73.52 H new ATOM 0 HD11 LEU A 72 0.960 -1.115 11.474 1.00 14.15 H new ATOM 0 HD12 LEU A 72 -0.533 -1.753 10.747 1.00 14.15 H new ATOM 0 HD13 LEU A 72 0.104 -0.175 10.228 1.00 14.15 H new ATOM 0 HD21 LEU A 72 0.870 0.775 13.058 1.00 74.11 H new ATOM 0 HD22 LEU A 72 0.010 1.789 11.874 1.00 74.11 H new ATOM 0 HD23 LEU A 72 -0.690 1.516 13.487 1.00 74.11 H new ATOM 840 N VAL A 73 -1.636 3.315 10.714 1.00 1.03 N ATOM 841 CA VAL A 73 -0.741 4.463 10.799 1.00 52.13 C ATOM 842 C VAL A 73 -1.239 5.473 11.827 1.00 43.14 C ATOM 843 O VAL A 73 -2.293 6.086 11.652 1.00 4.14 O ATOM 844 CB VAL A 73 -0.597 5.164 9.435 1.00 71.13 C ATOM 845 CG1 VAL A 73 0.554 6.158 9.464 1.00 53.11 C ATOM 846 CG2 VAL A 73 -0.399 4.139 8.328 1.00 11.10 C ATOM 0 H VAL A 73 -2.606 3.518 10.954 1.00 1.03 H new ATOM 0 HA VAL A 73 0.233 4.083 11.109 1.00 52.13 H new ATOM 0 HB VAL A 73 -1.515 5.714 9.230 1.00 71.13 H new ATOM 0 HG11 VAL A 73 0.640 6.643 8.492 1.00 53.11 H new ATOM 0 HG12 VAL A 73 0.366 6.910 10.230 1.00 53.11 H new ATOM 0 HG13 VAL A 73 1.482 5.633 9.691 1.00 53.11 H new ATOM 0 HG21 VAL A 73 -0.299 4.652 7.371 1.00 11.10 H new ATOM 0 HG22 VAL A 73 0.503 3.560 8.525 1.00 11.10 H new ATOM 0 HG23 VAL A 73 -1.259 3.470 8.293 1.00 11.10 H new ATOM 856 N THR A 74 -0.473 5.643 12.900 1.00 0.10 N ATOM 857 CA THR A 74 -0.836 6.578 13.957 1.00 4.43 C ATOM 858 C THR A 74 0.317 6.778 14.934 1.00 5.01 C ATOM 859 O THR A 74 1.462 6.973 14.526 1.00 44.00 O ATOM 860 CB THR A 74 -2.074 6.095 14.735 1.00 73.33 C ATOM 861 OG1 THR A 74 -3.018 5.504 13.834 1.00 20.13 O ATOM 862 CG2 THR A 74 -2.730 7.248 15.480 1.00 62.42 C ATOM 0 H THR A 74 0.403 5.145 13.060 1.00 0.10 H new ATOM 0 HA THR A 74 -1.068 7.527 13.473 1.00 4.43 H new ATOM 0 HB THR A 74 -1.751 5.351 15.463 1.00 73.33 H new ATOM 0 HG1 THR A 74 -3.062 6.035 13.011 1.00 20.13 H new ATOM 0 HG21 THR A 74 -3.602 6.882 16.022 1.00 62.42 H new ATOM 0 HG22 THR A 74 -2.018 7.677 16.185 1.00 62.42 H new ATOM 0 HG23 THR A 74 -3.040 8.012 14.767 1.00 62.42 H new ATOM 870 N ARG A 75 0.008 6.727 16.226 1.00 42.43 N ATOM 871 CA ARG A 75 1.020 6.903 17.261 1.00 54.31 C ATOM 872 C ARG A 75 1.379 5.566 17.902 1.00 2.34 C ATOM 873 O ARG A 75 0.537 4.685 18.072 1.00 34.23 O ATOM 874 CB ARG A 75 0.521 7.877 18.331 1.00 61.34 C ATOM 875 CG ARG A 75 1.191 9.240 18.274 1.00 64.34 C ATOM 876 CD ARG A 75 1.094 9.965 19.607 1.00 72.32 C ATOM 877 NE ARG A 75 0.409 11.248 19.483 1.00 54.52 N ATOM 878 CZ ARG A 75 0.316 12.130 20.472 1.00 52.53 C ATOM 879 NH1 ARG A 75 0.862 11.869 21.651 1.00 21.11 N ATOM 880 NH2 ARG A 75 -0.324 13.277 20.282 1.00 50.33 N ATOM 0 H ARG A 75 -0.935 6.565 16.581 1.00 42.43 H new ATOM 0 HA ARG A 75 1.915 7.314 16.794 1.00 54.31 H new ATOM 0 HB2 ARG A 75 -0.556 8.006 18.219 1.00 61.34 H new ATOM 0 HB3 ARG A 75 0.689 7.440 19.315 1.00 61.34 H new ATOM 0 HG2 ARG A 75 2.239 9.120 17.999 1.00 64.34 H new ATOM 0 HG3 ARG A 75 0.724 9.844 17.496 1.00 64.34 H new ATOM 0 HD2 ARG A 75 0.563 9.338 20.323 1.00 72.32 H new ATOM 0 HD3 ARG A 75 2.096 10.126 20.006 1.00 72.32 H new ATOM 0 HE ARG A 75 -0.022 11.480 18.588 1.00 54.52 H new ATOM 0 HH11 ARG A 75 1.355 10.989 21.801 1.00 21.11 H new ATOM 0 HH12 ARG A 75 0.789 12.548 22.408 1.00 21.11 H new ATOM 0 HH21 ARG A 75 -0.745 13.482 19.376 1.00 50.33 H new ATOM 0 HH22 ARG A 75 -0.395 13.953 21.042 1.00 50.33 H new ATOM 894 N PRO A 76 2.660 5.410 18.267 1.00 4.43 N ATOM 895 CA PRO A 76 3.161 4.184 18.896 1.00 51.14 C ATOM 896 C PRO A 76 2.633 4.003 20.314 1.00 34.55 C ATOM 897 O PRO A 76 3.138 3.176 21.074 1.00 0.02 O ATOM 898 CB PRO A 76 4.678 4.388 18.912 1.00 70.42 C ATOM 899 CG PRO A 76 4.862 5.866 18.900 1.00 20.14 C ATOM 900 CD PRO A 76 3.719 6.419 18.095 1.00 1.30 C ATOM 0 HA PRO A 76 2.843 3.291 18.358 1.00 51.14 H new ATOM 0 HB2 PRO A 76 5.128 3.940 19.798 1.00 70.42 H new ATOM 0 HB3 PRO A 76 5.149 3.923 18.046 1.00 70.42 H new ATOM 0 HG2 PRO A 76 4.856 6.268 19.913 1.00 20.14 H new ATOM 0 HG3 PRO A 76 5.820 6.136 18.455 1.00 20.14 H new ATOM 0 HD2 PRO A 76 3.406 7.397 18.461 1.00 1.30 H new ATOM 0 HD3 PRO A 76 3.989 6.543 17.046 1.00 1.30 H new ATOM 908 N ASP A 77 1.613 4.779 20.665 1.00 5.11 N ATOM 909 CA ASP A 77 1.015 4.703 21.993 1.00 64.40 C ATOM 910 C ASP A 77 -0.183 3.758 21.996 1.00 43.32 C ATOM 911 O ASP A 77 -1.168 3.992 22.694 1.00 74.13 O ATOM 912 CB ASP A 77 0.586 6.093 22.463 1.00 54.21 C ATOM 913 CG ASP A 77 1.709 6.845 23.149 1.00 42.54 C ATOM 914 OD1 ASP A 77 2.600 6.186 23.725 1.00 14.34 O ATOM 915 OD2 ASP A 77 1.699 8.093 23.108 1.00 55.43 O ATOM 0 H ASP A 77 1.183 5.468 20.048 1.00 5.11 H new ATOM 0 HA ASP A 77 1.765 4.312 22.681 1.00 64.40 H new ATOM 0 HB2 ASP A 77 0.236 6.670 21.607 1.00 54.21 H new ATOM 0 HB3 ASP A 77 -0.256 5.998 23.149 1.00 54.21 H new ATOM 920 N GLY A 78 -0.090 2.690 21.209 1.00 52.52 N ATOM 921 CA GLY A 78 -1.174 1.728 21.135 1.00 64.35 C ATOM 922 C GLY A 78 -2.272 2.163 20.185 1.00 61.01 C ATOM 923 O GLY A 78 -3.140 1.369 19.821 1.00 71.11 O ATOM 0 H GLY A 78 0.716 2.474 20.622 1.00 52.52 H new ATOM 0 HA2 GLY A 78 -0.779 0.765 20.812 1.00 64.35 H new ATOM 0 HA3 GLY A 78 -1.595 1.583 22.130 1.00 64.35 H new ATOM 927 N THR A 79 -2.237 3.430 19.782 1.00 22.44 N ATOM 928 CA THR A 79 -3.238 3.970 18.872 1.00 50.32 C ATOM 929 C THR A 79 -2.754 3.917 17.427 1.00 4.05 C ATOM 930 O THR A 79 -1.735 4.516 17.082 1.00 53.51 O ATOM 931 CB THR A 79 -3.594 5.426 19.229 1.00 71.14 C ATOM 932 OG1 THR A 79 -2.476 6.282 18.967 1.00 32.23 O ATOM 933 CG2 THR A 79 -3.997 5.542 20.691 1.00 70.41 C ATOM 0 H THR A 79 -1.525 4.101 20.072 1.00 22.44 H new ATOM 0 HA THR A 79 -4.128 3.349 18.977 1.00 50.32 H new ATOM 0 HB THR A 79 -4.438 5.732 18.611 1.00 71.14 H new ATOM 0 HG1 THR A 79 -1.863 5.838 18.345 1.00 32.23 H new ATOM 0 HG21 THR A 79 -4.244 6.579 20.919 1.00 70.41 H new ATOM 0 HG22 THR A 79 -4.866 4.912 20.880 1.00 70.41 H new ATOM 0 HG23 THR A 79 -3.170 5.218 21.323 1.00 70.41 H new ATOM 941 N ARG A 80 -3.490 3.196 16.588 1.00 45.44 N ATOM 942 CA ARG A 80 -3.134 3.065 15.180 1.00 61.11 C ATOM 943 C ARG A 80 -4.381 3.082 14.300 1.00 4.32 C ATOM 944 O ARG A 80 -5.492 2.851 14.776 1.00 52.00 O ATOM 945 CB ARG A 80 -2.351 1.771 14.948 1.00 33.03 C ATOM 946 CG ARG A 80 -2.044 1.008 16.226 1.00 34.24 C ATOM 947 CD ARG A 80 -0.988 -0.062 15.997 1.00 53.14 C ATOM 948 NE ARG A 80 0.364 0.451 16.203 1.00 73.51 N ATOM 949 CZ ARG A 80 0.855 0.767 17.396 1.00 44.34 C ATOM 950 NH1 ARG A 80 0.110 0.624 18.483 1.00 42.52 N ATOM 951 NH2 ARG A 80 2.095 1.228 17.502 1.00 24.44 N ATOM 0 H ARG A 80 -4.336 2.694 16.858 1.00 45.44 H new ATOM 0 HA ARG A 80 -2.507 3.915 14.909 1.00 61.11 H new ATOM 0 HB2 ARG A 80 -2.920 1.127 14.278 1.00 33.03 H new ATOM 0 HB3 ARG A 80 -1.415 2.008 14.443 1.00 33.03 H new ATOM 0 HG2 ARG A 80 -1.699 1.703 16.992 1.00 34.24 H new ATOM 0 HG3 ARG A 80 -2.956 0.545 16.603 1.00 34.24 H new ATOM 0 HD2 ARG A 80 -1.166 -0.898 16.674 1.00 53.14 H new ATOM 0 HD3 ARG A 80 -1.078 -0.449 14.982 1.00 53.14 H new ATOM 0 HE ARG A 80 0.963 0.573 15.387 1.00 73.51 H new ATOM 0 HH11 ARG A 80 -0.844 0.270 18.405 1.00 42.52 H new ATOM 0 HH12 ARG A 80 0.490 0.868 19.398 1.00 42.52 H new ATOM 0 HH21 ARG A 80 2.671 1.340 16.667 1.00 24.44 H new ATOM 0 HH22 ARG A 80 2.472 1.471 18.418 1.00 24.44 H new ATOM 965 N VAL A 81 -4.188 3.359 13.014 1.00 24.34 N ATOM 966 CA VAL A 81 -5.296 3.406 12.068 1.00 64.11 C ATOM 967 C VAL A 81 -5.121 2.367 10.966 1.00 53.35 C ATOM 968 O VAL A 81 -4.663 2.684 9.868 1.00 22.15 O ATOM 969 CB VAL A 81 -5.428 4.801 11.428 1.00 61.42 C ATOM 970 CG1 VAL A 81 -6.528 4.804 10.377 1.00 64.21 C ATOM 971 CG2 VAL A 81 -5.695 5.852 12.494 1.00 42.41 C ATOM 0 H VAL A 81 -3.275 3.554 12.604 1.00 24.34 H new ATOM 0 HA VAL A 81 -6.203 3.185 12.630 1.00 64.11 H new ATOM 0 HB VAL A 81 -4.487 5.047 10.935 1.00 61.42 H new ATOM 0 HG11 VAL A 81 -6.607 5.798 9.936 1.00 64.21 H new ATOM 0 HG12 VAL A 81 -6.290 4.079 9.599 1.00 64.21 H new ATOM 0 HG13 VAL A 81 -7.477 4.537 10.843 1.00 64.21 H new ATOM 0 HG21 VAL A 81 -5.785 6.832 12.025 1.00 42.41 H new ATOM 0 HG22 VAL A 81 -6.621 5.613 13.017 1.00 42.41 H new ATOM 0 HG23 VAL A 81 -4.870 5.866 13.206 1.00 42.41 H new ATOM 981 N GLU A 82 -5.491 1.126 11.266 1.00 50.15 N ATOM 982 CA GLU A 82 -5.375 0.040 10.299 1.00 42.50 C ATOM 983 C GLU A 82 -6.504 0.102 9.274 1.00 65.32 C ATOM 984 O GLU A 82 -7.678 -0.036 9.617 1.00 24.34 O ATOM 985 CB GLU A 82 -5.393 -1.312 11.014 1.00 61.44 C ATOM 986 CG GLU A 82 -6.675 -1.576 11.785 1.00 74.45 C ATOM 987 CD GLU A 82 -6.554 -2.754 12.732 1.00 13.24 C ATOM 988 OE1 GLU A 82 -5.891 -3.746 12.364 1.00 42.33 O ATOM 989 OE2 GLU A 82 -7.123 -2.684 13.842 1.00 43.10 O ATOM 0 H GLU A 82 -5.873 0.848 12.170 1.00 50.15 H new ATOM 0 HA GLU A 82 -4.426 0.153 9.775 1.00 42.50 H new ATOM 0 HB2 GLU A 82 -5.252 -2.104 10.279 1.00 61.44 H new ATOM 0 HB3 GLU A 82 -4.549 -1.361 11.702 1.00 61.44 H new ATOM 0 HG2 GLU A 82 -6.944 -0.685 12.352 1.00 74.45 H new ATOM 0 HG3 GLU A 82 -7.486 -1.762 11.081 1.00 74.45 H new ATOM 996 N VAL A 83 -6.139 0.310 8.013 1.00 41.34 N ATOM 997 CA VAL A 83 -7.119 0.390 6.936 1.00 34.55 C ATOM 998 C VAL A 83 -7.291 -0.960 6.249 1.00 60.32 C ATOM 999 O VAL A 83 -6.334 -1.721 6.103 1.00 23.11 O ATOM 1000 CB VAL A 83 -6.716 1.441 5.886 1.00 61.02 C ATOM 1001 CG1 VAL A 83 -5.886 2.544 6.525 1.00 24.51 C ATOM 1002 CG2 VAL A 83 -5.957 0.786 4.742 1.00 50.15 C ATOM 0 H VAL A 83 -5.171 0.426 7.712 1.00 41.34 H new ATOM 0 HA VAL A 83 -8.064 0.687 7.390 1.00 34.55 H new ATOM 0 HB VAL A 83 -7.622 1.891 5.481 1.00 61.02 H new ATOM 0 HG11 VAL A 83 -5.611 3.277 5.767 1.00 24.51 H new ATOM 0 HG12 VAL A 83 -6.469 3.031 7.307 1.00 24.51 H new ATOM 0 HG13 VAL A 83 -4.983 2.115 6.959 1.00 24.51 H new ATOM 0 HG21 VAL A 83 -5.680 1.543 4.009 1.00 50.15 H new ATOM 0 HG22 VAL A 83 -5.057 0.309 5.129 1.00 50.15 H new ATOM 0 HG23 VAL A 83 -6.590 0.036 4.268 1.00 50.15 H new ATOM 1012 N HIS A 84 -8.517 -1.252 5.827 1.00 53.32 N ATOM 1013 CA HIS A 84 -8.815 -2.510 5.153 1.00 61.45 C ATOM 1014 C HIS A 84 -8.492 -2.419 3.664 1.00 12.11 C ATOM 1015 O HIS A 84 -9.188 -1.739 2.908 1.00 25.11 O ATOM 1016 CB HIS A 84 -10.285 -2.882 5.346 1.00 55.44 C ATOM 1017 CG HIS A 84 -10.528 -4.358 5.405 1.00 63.45 C ATOM 1018 ND1 HIS A 84 -9.755 -5.399 5.014 1.00 50.33 N flip ATOM 1019 CD2 HIS A 84 -11.684 -4.912 5.913 1.00 41.44 C flip ATOM 1020 CE1 HIS A 84 -10.451 -6.550 5.291 1.00 32.35 C flip ATOM 1021 NE2 HIS A 84 -11.611 -6.228 5.833 1.00 4.40 N flip ATOM 0 H HIS A 84 -9.320 -0.634 5.940 1.00 53.32 H new ATOM 0 HA HIS A 84 -8.191 -3.287 5.595 1.00 61.45 H new ATOM 0 HB2 HIS A 84 -10.649 -2.426 6.267 1.00 55.44 H new ATOM 0 HB3 HIS A 84 -10.868 -2.459 4.528 1.00 55.44 H new ATOM 0 HD1 HIS A 84 -8.828 -5.339 4.592 1.00 50.33 H new ATOM 0 HD2 HIS A 84 -12.519 -4.356 6.314 1.00 41.44 H new ATOM 0 HE1 HIS A 84 -10.106 -7.555 5.097 1.00 32.35 H new ATOM 1029 N LEU A 85 -7.434 -3.107 3.250 1.00 43.50 N ATOM 1030 CA LEU A 85 -7.018 -3.103 1.852 1.00 51.54 C ATOM 1031 C LEU A 85 -6.924 -4.524 1.308 1.00 65.44 C ATOM 1032 O LEU A 85 -6.037 -5.288 1.690 1.00 63.15 O ATOM 1033 CB LEU A 85 -5.669 -2.396 1.702 1.00 75.30 C ATOM 1034 CG LEU A 85 -4.529 -2.937 2.566 1.00 53.41 C ATOM 1035 CD1 LEU A 85 -3.524 -3.693 1.711 1.00 12.11 C ATOM 1036 CD2 LEU A 85 -3.847 -1.803 3.318 1.00 61.41 C ATOM 0 H LEU A 85 -6.848 -3.675 3.862 1.00 43.50 H new ATOM 0 HA LEU A 85 -7.770 -2.563 1.277 1.00 51.54 H new ATOM 0 HB2 LEU A 85 -5.365 -2.454 0.657 1.00 75.30 H new ATOM 0 HB3 LEU A 85 -5.806 -1.340 1.936 1.00 75.30 H new ATOM 0 HG LEU A 85 -4.948 -3.630 3.295 1.00 53.41 H new ATOM 0 HD11 LEU A 85 -2.720 -4.071 2.343 1.00 12.11 H new ATOM 0 HD12 LEU A 85 -4.021 -4.529 1.218 1.00 12.11 H new ATOM 0 HD13 LEU A 85 -3.109 -3.022 0.958 1.00 12.11 H new ATOM 0 HD21 LEU A 85 -3.038 -2.206 3.928 1.00 61.41 H new ATOM 0 HD22 LEU A 85 -3.441 -1.086 2.605 1.00 61.41 H new ATOM 0 HD23 LEU A 85 -4.573 -1.304 3.961 1.00 61.41 H new ATOM 1048 N ASP A 86 -7.842 -4.872 0.413 1.00 63.02 N ATOM 1049 CA ASP A 86 -7.860 -6.201 -0.187 1.00 32.21 C ATOM 1050 C ASP A 86 -7.880 -6.110 -1.710 1.00 33.24 C ATOM 1051 O ASP A 86 -8.899 -5.761 -2.307 1.00 24.20 O ATOM 1052 CB ASP A 86 -9.075 -6.989 0.305 1.00 31.33 C ATOM 1053 CG ASP A 86 -9.303 -6.830 1.796 1.00 74.14 C ATOM 1054 OD1 ASP A 86 -8.330 -6.522 2.516 1.00 73.42 O ATOM 1055 OD2 ASP A 86 -10.455 -7.012 2.242 1.00 73.23 O ATOM 0 H ASP A 86 -8.584 -4.252 0.087 1.00 63.02 H new ATOM 0 HA ASP A 86 -6.952 -6.722 0.116 1.00 32.21 H new ATOM 0 HB2 ASP A 86 -9.963 -6.656 -0.233 1.00 31.33 H new ATOM 0 HB3 ASP A 86 -8.938 -8.045 0.072 1.00 31.33 H new ATOM 1060 N ARG A 87 -6.749 -6.425 -2.331 1.00 64.21 N ATOM 1061 CA ARG A 87 -6.636 -6.377 -3.784 1.00 3.32 C ATOM 1062 C ARG A 87 -7.584 -7.379 -4.437 1.00 5.34 C ATOM 1063 O ARG A 87 -7.641 -7.487 -5.662 1.00 2.14 O ATOM 1064 CB ARG A 87 -5.196 -6.665 -4.215 1.00 14.43 C ATOM 1065 CG ARG A 87 -4.975 -6.551 -5.714 1.00 72.12 C ATOM 1066 CD ARG A 87 -4.603 -7.893 -6.325 1.00 43.35 C ATOM 1067 NE ARG A 87 -4.967 -7.971 -7.737 1.00 53.05 N ATOM 1068 CZ ARG A 87 -5.002 -9.107 -8.426 1.00 5.52 C ATOM 1069 NH1 ARG A 87 -4.695 -10.253 -7.835 1.00 31.20 N ATOM 1070 NH2 ARG A 87 -5.343 -9.097 -9.708 1.00 13.41 N ATOM 0 H ARG A 87 -5.897 -6.716 -1.851 1.00 64.21 H new ATOM 0 HA ARG A 87 -6.913 -5.375 -4.112 1.00 3.32 H new ATOM 0 HB2 ARG A 87 -4.527 -5.972 -3.704 1.00 14.43 H new ATOM 0 HB3 ARG A 87 -4.923 -7.669 -3.891 1.00 14.43 H new ATOM 0 HG2 ARG A 87 -5.880 -6.172 -6.189 1.00 72.12 H new ATOM 0 HG3 ARG A 87 -4.184 -5.828 -5.912 1.00 72.12 H new ATOM 0 HD2 ARG A 87 -3.531 -8.055 -6.218 1.00 43.35 H new ATOM 0 HD3 ARG A 87 -5.103 -8.692 -5.777 1.00 43.35 H new ATOM 0 HE ARG A 87 -5.208 -7.106 -8.221 1.00 53.05 H new ATOM 0 HH11 ARG A 87 -4.431 -10.264 -6.850 1.00 31.20 H new ATOM 0 HH12 ARG A 87 -4.722 -11.124 -8.365 1.00 31.20 H new ATOM 0 HH21 ARG A 87 -5.579 -8.217 -10.166 1.00 13.41 H new ATOM 0 HH22 ARG A 87 -5.369 -9.970 -10.236 1.00 13.41 H new ATOM 1084 N ASP A 88 -8.324 -8.109 -3.610 1.00 73.04 N ATOM 1085 CA ASP A 88 -9.270 -9.102 -4.107 1.00 11.12 C ATOM 1086 C ASP A 88 -10.453 -8.429 -4.795 1.00 54.21 C ATOM 1087 O ASP A 88 -11.236 -9.081 -5.487 1.00 2.03 O ATOM 1088 CB ASP A 88 -9.766 -9.984 -2.960 1.00 5.24 C ATOM 1089 CG ASP A 88 -10.576 -11.168 -3.448 1.00 55.12 C ATOM 1090 OD1 ASP A 88 -10.563 -11.433 -4.668 1.00 52.53 O ATOM 1091 OD2 ASP A 88 -11.225 -11.829 -2.610 1.00 71.44 O ATOM 0 H ASP A 88 -8.287 -8.032 -2.594 1.00 73.04 H new ATOM 0 HA ASP A 88 -8.754 -9.725 -4.838 1.00 11.12 H new ATOM 0 HB2 ASP A 88 -8.912 -10.344 -2.387 1.00 5.24 H new ATOM 0 HB3 ASP A 88 -10.375 -9.385 -2.283 1.00 5.24 H new ATOM 1096 N PHE A 89 -10.579 -7.120 -4.600 1.00 22.30 N ATOM 1097 CA PHE A 89 -11.668 -6.359 -5.200 1.00 51.21 C ATOM 1098 C PHE A 89 -11.392 -4.860 -5.120 1.00 74.13 C ATOM 1099 O PHE A 89 -10.738 -4.291 -5.994 1.00 61.22 O ATOM 1100 CB PHE A 89 -12.991 -6.683 -4.502 1.00 65.43 C ATOM 1101 CG PHE A 89 -12.830 -7.549 -3.285 1.00 64.05 C ATOM 1102 CD1 PHE A 89 -12.294 -7.032 -2.117 1.00 11.21 C ATOM 1103 CD2 PHE A 89 -13.213 -8.880 -3.310 1.00 73.24 C ATOM 1104 CE1 PHE A 89 -12.145 -7.826 -0.995 1.00 41.42 C ATOM 1105 CE2 PHE A 89 -13.067 -9.679 -2.192 1.00 1.42 C ATOM 1106 CZ PHE A 89 -12.531 -9.151 -1.033 1.00 60.02 C ATOM 0 H PHE A 89 -9.940 -6.565 -4.031 1.00 22.30 H new ATOM 0 HA PHE A 89 -11.740 -6.642 -6.250 1.00 51.21 H new ATOM 0 HB2 PHE A 89 -13.478 -5.752 -4.214 1.00 65.43 H new ATOM 0 HB3 PHE A 89 -13.653 -7.183 -5.209 1.00 65.43 H new ATOM 0 HD1 PHE A 89 -11.989 -5.997 -2.082 1.00 11.21 H new ATOM 0 HD2 PHE A 89 -13.631 -9.298 -4.214 1.00 73.24 H new ATOM 0 HE1 PHE A 89 -11.727 -7.410 -0.090 1.00 41.42 H new ATOM 0 HE2 PHE A 89 -13.371 -10.715 -2.224 1.00 1.42 H new ATOM 0 HZ PHE A 89 -12.414 -9.774 -0.158 1.00 60.02 H new ATOM 1116 N ARG A 90 -11.897 -4.227 -4.066 1.00 71.05 N ATOM 1117 CA ARG A 90 -11.707 -2.795 -3.873 1.00 14.53 C ATOM 1118 C ARG A 90 -11.811 -2.427 -2.395 1.00 72.33 C ATOM 1119 O ARG A 90 -12.276 -1.342 -2.046 1.00 31.45 O ATOM 1120 CB ARG A 90 -12.743 -2.008 -4.679 1.00 5.23 C ATOM 1121 CG ARG A 90 -14.113 -2.664 -4.715 1.00 11.22 C ATOM 1122 CD ARG A 90 -14.717 -2.770 -3.323 1.00 42.12 C ATOM 1123 NE ARG A 90 -16.176 -2.732 -3.355 1.00 74.13 N ATOM 1124 CZ ARG A 90 -16.926 -3.710 -3.852 1.00 51.41 C ATOM 1125 NH1 ARG A 90 -16.357 -4.796 -4.355 1.00 64.12 N ATOM 1126 NH2 ARG A 90 -18.249 -3.602 -3.846 1.00 4.23 N ATOM 0 H ARG A 90 -12.440 -4.683 -3.333 1.00 71.05 H new ATOM 0 HA ARG A 90 -10.709 -2.536 -4.225 1.00 14.53 H new ATOM 0 HB2 ARG A 90 -12.839 -1.009 -4.254 1.00 5.23 H new ATOM 0 HB3 ARG A 90 -12.381 -1.887 -5.700 1.00 5.23 H new ATOM 0 HG2 ARG A 90 -14.777 -2.087 -5.358 1.00 11.22 H new ATOM 0 HG3 ARG A 90 -14.030 -3.658 -5.153 1.00 11.22 H new ATOM 0 HD2 ARG A 90 -14.389 -3.698 -2.855 1.00 42.12 H new ATOM 0 HD3 ARG A 90 -14.347 -1.953 -2.704 1.00 42.12 H new ATOM 0 HE ARG A 90 -16.645 -1.910 -2.975 1.00 74.13 H new ATOM 0 HH11 ARG A 90 -15.341 -4.883 -4.361 1.00 64.12 H new ATOM 0 HH12 ARG A 90 -16.935 -5.545 -4.736 1.00 64.12 H new ATOM 0 HH21 ARG A 90 -18.691 -2.768 -3.460 1.00 4.23 H new ATOM 0 HH22 ARG A 90 -18.824 -4.353 -4.228 1.00 4.23 H new ATOM 1140 N VAL A 91 -11.375 -3.339 -1.532 1.00 34.40 N ATOM 1141 CA VAL A 91 -11.419 -3.112 -0.093 1.00 5.35 C ATOM 1142 C VAL A 91 -10.367 -2.093 0.335 1.00 74.44 C ATOM 1143 O VAL A 91 -9.205 -2.438 0.551 1.00 21.35 O ATOM 1144 CB VAL A 91 -11.198 -4.420 0.690 1.00 65.15 C ATOM 1145 CG1 VAL A 91 -10.585 -4.131 2.052 1.00 75.33 C ATOM 1146 CG2 VAL A 91 -12.507 -5.181 0.835 1.00 64.35 C ATOM 0 H VAL A 91 -10.987 -4.242 -1.805 1.00 34.40 H new ATOM 0 HA VAL A 91 -12.412 -2.724 0.135 1.00 5.35 H new ATOM 0 HB VAL A 91 -10.501 -5.045 0.131 1.00 65.15 H new ATOM 0 HG11 VAL A 91 -10.436 -5.067 2.590 1.00 75.33 H new ATOM 0 HG12 VAL A 91 -9.625 -3.632 1.920 1.00 75.33 H new ATOM 0 HG13 VAL A 91 -11.254 -3.487 2.623 1.00 75.33 H new ATOM 0 HG21 VAL A 91 -12.333 -6.102 1.391 1.00 64.35 H new ATOM 0 HG22 VAL A 91 -13.229 -4.565 1.371 1.00 64.35 H new ATOM 0 HG23 VAL A 91 -12.899 -5.422 -0.153 1.00 64.35 H new ATOM 1156 N LEU A 92 -10.783 -0.837 0.454 1.00 21.42 N ATOM 1157 CA LEU A 92 -9.877 0.233 0.857 1.00 52.14 C ATOM 1158 C LEU A 92 -10.450 1.018 2.032 1.00 20.14 C ATOM 1159 O LEU A 92 -10.031 2.143 2.304 1.00 45.12 O ATOM 1160 CB LEU A 92 -9.614 1.175 -0.320 1.00 72.51 C ATOM 1161 CG LEU A 92 -8.837 0.580 -1.495 1.00 22.32 C ATOM 1162 CD1 LEU A 92 -7.885 -0.503 -1.011 1.00 44.03 C ATOM 1163 CD2 LEU A 92 -9.793 0.024 -2.540 1.00 62.21 C ATOM 0 H LEU A 92 -11.741 -0.535 0.277 1.00 21.42 H new ATOM 0 HA LEU A 92 -8.936 -0.220 1.170 1.00 52.14 H new ATOM 0 HB2 LEU A 92 -10.573 1.537 -0.691 1.00 72.51 H new ATOM 0 HB3 LEU A 92 -9.067 2.042 0.050 1.00 72.51 H new ATOM 0 HG LEU A 92 -8.249 1.373 -1.956 1.00 22.32 H new ATOM 0 HD11 LEU A 92 -7.341 -0.915 -1.861 1.00 44.03 H new ATOM 0 HD12 LEU A 92 -7.178 -0.075 -0.300 1.00 44.03 H new ATOM 0 HD13 LEU A 92 -8.453 -1.296 -0.525 1.00 44.03 H new ATOM 0 HD21 LEU A 92 -9.222 -0.395 -3.369 1.00 62.21 H new ATOM 0 HD22 LEU A 92 -10.408 -0.756 -2.092 1.00 62.21 H new ATOM 0 HD23 LEU A 92 -10.434 0.825 -2.909 1.00 62.21 H new ATOM 1175 N ASP A 93 -11.409 0.416 2.728 1.00 43.14 N ATOM 1176 CA ASP A 93 -12.037 1.057 3.877 1.00 50.20 C ATOM 1177 C ASP A 93 -11.117 1.016 5.093 1.00 63.42 C ATOM 1178 O ASP A 93 -10.605 -0.042 5.462 1.00 4.23 O ATOM 1179 CB ASP A 93 -13.366 0.375 4.204 1.00 14.45 C ATOM 1180 CG ASP A 93 -14.246 1.223 5.102 1.00 1.04 C ATOM 1181 OD1 ASP A 93 -13.775 1.622 6.188 1.00 52.12 O ATOM 1182 OD2 ASP A 93 -15.405 1.487 4.720 1.00 35.31 O ATOM 0 H ASP A 93 -11.768 -0.515 2.516 1.00 43.14 H new ATOM 0 HA ASP A 93 -12.225 2.100 3.622 1.00 50.20 H new ATOM 0 HB2 ASP A 93 -13.898 0.159 3.277 1.00 14.45 H new ATOM 0 HB3 ASP A 93 -13.171 -0.581 4.689 1.00 14.45 H new ATOM 1187 N THR A 94 -10.909 2.174 5.712 1.00 72.23 N ATOM 1188 CA THR A 94 -10.049 2.271 6.884 1.00 20.42 C ATOM 1189 C THR A 94 -10.776 1.802 8.139 1.00 23.45 C ATOM 1190 O THR A 94 -12.004 1.829 8.203 1.00 53.15 O ATOM 1191 CB THR A 94 -9.554 3.713 7.100 1.00 3.01 C ATOM 1192 OG1 THR A 94 -8.742 3.781 8.278 1.00 51.22 O ATOM 1193 CG2 THR A 94 -10.726 4.674 7.230 1.00 61.05 C ATOM 0 H THR A 94 -11.325 3.058 5.420 1.00 72.23 H new ATOM 0 HA THR A 94 -9.191 1.624 6.701 1.00 20.42 H new ATOM 0 HB THR A 94 -8.961 4.004 6.233 1.00 3.01 H new ATOM 0 HG1 THR A 94 -8.430 4.701 8.407 1.00 51.22 H new ATOM 0 HG21 THR A 94 -10.351 5.686 7.382 1.00 61.05 H new ATOM 0 HG22 THR A 94 -11.326 4.642 6.320 1.00 61.05 H new ATOM 0 HG23 THR A 94 -11.342 4.384 8.081 1.00 61.05 H new ATOM 1201 N GLU A 95 -10.008 1.372 9.137 1.00 54.44 N ATOM 1202 CA GLU A 95 -10.581 0.897 10.391 1.00 53.45 C ATOM 1203 C GLU A 95 -9.690 1.271 11.572 1.00 55.22 C ATOM 1204 O GLU A 95 -8.477 1.435 11.440 1.00 73.33 O ATOM 1205 CB GLU A 95 -10.777 -0.619 10.345 1.00 31.53 C ATOM 1206 CG GLU A 95 -12.211 -1.040 10.070 1.00 20.13 C ATOM 1207 CD GLU A 95 -12.562 -2.370 10.710 1.00 42.43 C ATOM 1208 OE1 GLU A 95 -11.984 -3.397 10.298 1.00 22.25 O ATOM 1209 OE2 GLU A 95 -13.415 -2.382 11.622 1.00 43.30 O ATOM 0 H GLU A 95 -8.989 1.343 9.101 1.00 54.44 H new ATOM 0 HA GLU A 95 -11.550 1.377 10.524 1.00 53.45 H new ATOM 0 HB2 GLU A 95 -10.130 -1.037 9.574 1.00 31.53 H new ATOM 0 HB3 GLU A 95 -10.458 -1.047 11.295 1.00 31.53 H new ATOM 0 HG2 GLU A 95 -12.889 -0.272 10.442 1.00 20.13 H new ATOM 0 HG3 GLU A 95 -12.366 -1.107 8.993 1.00 20.13 H new ATOM 1216 N PRO A 96 -10.306 1.411 12.755 1.00 22.34 N ATOM 1217 CA PRO A 96 -9.589 1.767 13.983 1.00 24.23 C ATOM 1218 C PRO A 96 -8.686 0.640 14.475 1.00 42.42 C ATOM 1219 O PRO A 96 -9.053 -0.533 14.416 1.00 13.42 O ATOM 1220 CB PRO A 96 -10.713 2.028 14.988 1.00 35.52 C ATOM 1221 CG PRO A 96 -11.864 1.225 14.486 1.00 42.34 C ATOM 1222 CD PRO A 96 -11.749 1.231 12.986 1.00 20.13 C ATOM 0 HA PRO A 96 -8.925 2.619 13.834 1.00 24.23 H new ATOM 0 HB2 PRO A 96 -10.424 1.721 15.993 1.00 35.52 H new ATOM 0 HB3 PRO A 96 -10.962 3.088 15.038 1.00 35.52 H new ATOM 0 HG2 PRO A 96 -11.830 0.208 14.876 1.00 42.34 H new ATOM 0 HG3 PRO A 96 -12.812 1.658 14.807 1.00 42.34 H new ATOM 0 HD2 PRO A 96 -12.112 0.300 12.551 1.00 20.13 H new ATOM 0 HD3 PRO A 96 -12.331 2.039 12.542 1.00 20.13 H new ATOM 1230 N ALA A 97 -7.503 1.005 14.959 1.00 32.15 N ATOM 1231 CA ALA A 97 -6.549 0.025 15.463 1.00 33.24 C ATOM 1232 C ALA A 97 -6.235 0.271 16.935 1.00 33.33 C ATOM 1233 O ALA A 97 -5.597 1.263 17.286 1.00 3.11 O ATOM 1234 CB ALA A 97 -5.272 0.058 14.637 1.00 74.43 C ATOM 0 H ALA A 97 -7.183 1.972 15.013 1.00 32.15 H new ATOM 0 HA ALA A 97 -7.001 -0.963 15.375 1.00 33.24 H new ATOM 0 HB1 ALA A 97 -4.569 -0.679 15.025 1.00 74.43 H new ATOM 0 HB2 ALA A 97 -5.505 -0.174 13.598 1.00 74.43 H new ATOM 0 HB3 ALA A 97 -4.826 1.051 14.696 1.00 74.43 H new ATOM 1240 N ASP A 98 -6.688 -0.638 17.792 1.00 55.12 N ATOM 1241 CA ASP A 98 -6.455 -0.520 19.226 1.00 14.45 C ATOM 1242 C ASP A 98 -5.240 -1.338 19.649 1.00 65.42 C ATOM 1243 O ASP A 98 -4.923 -1.433 20.834 1.00 35.10 O ATOM 1244 CB ASP A 98 -7.690 -0.978 20.005 1.00 43.32 C ATOM 1245 CG ASP A 98 -7.588 -0.668 21.485 1.00 34.14 C ATOM 1246 OD1 ASP A 98 -7.716 0.518 21.853 1.00 14.22 O ATOM 1247 OD2 ASP A 98 -7.380 -1.612 22.276 1.00 31.14 O ATOM 0 H ASP A 98 -7.219 -1.465 17.518 1.00 55.12 H new ATOM 0 HA ASP A 98 -6.261 0.529 19.452 1.00 14.45 H new ATOM 0 HB2 ASP A 98 -8.575 -0.492 19.595 1.00 43.32 H new ATOM 0 HB3 ASP A 98 -7.824 -2.051 19.870 1.00 43.32 H new ATOM 1252 N GLY A 99 -4.561 -1.930 18.670 1.00 54.01 N ATOM 1253 CA GLY A 99 -3.389 -2.734 18.961 1.00 61.25 C ATOM 1254 C GLY A 99 -3.744 -4.149 19.373 1.00 1.12 C ATOM 1255 O GLY A 99 -2.920 -5.058 19.269 1.00 35.23 O ATOM 0 H GLY A 99 -4.802 -1.867 17.681 1.00 54.01 H new ATOM 0 HA2 GLY A 99 -2.746 -2.766 18.081 1.00 61.25 H new ATOM 0 HA3 GLY A 99 -2.816 -2.260 19.758 1.00 61.25 H new ATOM 1259 N ASP A 100 -4.972 -4.335 19.844 1.00 30.40 N ATOM 1260 CA ASP A 100 -5.434 -5.650 20.275 1.00 53.22 C ATOM 1261 C ASP A 100 -6.251 -6.325 19.177 1.00 23.23 C ATOM 1262 O ASP A 100 -6.254 -7.549 19.057 1.00 73.55 O ATOM 1263 CB ASP A 100 -6.272 -5.527 21.549 1.00 60.14 C ATOM 1264 CG ASP A 100 -5.623 -6.210 22.736 1.00 4.44 C ATOM 1265 OD1 ASP A 100 -4.524 -5.776 23.142 1.00 14.40 O ATOM 1266 OD2 ASP A 100 -6.212 -7.178 23.260 1.00 73.20 O ATOM 0 H ASP A 100 -5.665 -3.593 19.937 1.00 30.40 H new ATOM 0 HA ASP A 100 -4.559 -6.266 20.483 1.00 53.22 H new ATOM 0 HB2 ASP A 100 -6.425 -4.473 21.779 1.00 60.14 H new ATOM 0 HB3 ASP A 100 -7.256 -5.962 21.376 1.00 60.14 H new ATOM 1271 N GLY A 101 -6.943 -5.518 18.380 1.00 52.35 N ATOM 1272 CA GLY A 101 -7.755 -6.055 17.303 1.00 21.44 C ATOM 1273 C GLY A 101 -9.084 -6.595 17.794 1.00 62.04 C ATOM 1274 O GLY A 101 -9.671 -7.478 17.170 1.00 32.23 O ATOM 0 H GLY A 101 -6.956 -4.501 18.460 1.00 52.35 H new ATOM 0 HA2 GLY A 101 -7.934 -5.275 16.563 1.00 21.44 H new ATOM 0 HA3 GLY A 101 -7.206 -6.851 16.800 1.00 21.44 H new ATOM 1278 N GLY A 102 -9.559 -6.064 18.916 1.00 51.50 N ATOM 1279 CA GLY A 102 -10.823 -6.511 19.472 1.00 61.05 C ATOM 1280 C GLY A 102 -10.763 -6.693 20.975 1.00 31.32 C ATOM 1281 O GLY A 102 -11.652 -6.242 21.697 1.00 30.45 O ATOM 0 H GLY A 102 -9.091 -5.332 19.450 1.00 51.50 H new ATOM 0 HA2 GLY A 102 -11.600 -5.787 19.228 1.00 61.05 H new ATOM 0 HA3 GLY A 102 -11.108 -7.454 19.006 1.00 61.05 H new TER 1285 GLY A 102