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 -88:sc= 0.186 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -47:sc= 1.1 USER MOD Single : A 23 GLN : amide:sc= -4.45! C(o=-4.5!,f=-3!) USER MOD Single : A 26 MET CE :methyl 169:sc= -0.0055 (180deg=-0.189) USER MOD Single : A 35 THR OG1 : rot 150:sc= -4.08 USER MOD Single : A 48 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.73) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 60 THR OG1 : rot 47:sc= 0.883 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -35:sc= -9.02! USER MOD Single : A 79 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 84 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.328 0.000 0.000 1.00 4.00 N ATOM 2 CA ASP A 11 2.093 -0.001 -1.242 1.00 0.02 C ATOM 3 C ASP A 11 1.985 -1.350 -1.946 1.00 34.14 C ATOM 4 O ASP A 11 1.982 -1.422 -3.175 1.00 1.02 O ATOM 5 CB ASP A 11 3.561 0.326 -0.962 1.00 73.12 C ATOM 6 CG ASP A 11 4.189 -0.634 0.029 1.00 61.12 C ATOM 7 OD1 ASP A 11 3.824 -0.578 1.221 1.00 34.44 O ATOM 8 OD2 ASP A 11 5.047 -1.440 -0.388 1.00 70.51 O ATOM 0 HA ASP A 11 1.677 0.765 -1.897 1.00 0.02 H new ATOM 0 HB2 ASP A 11 4.121 0.297 -1.897 1.00 73.12 H new ATOM 0 HB3 ASP A 11 3.637 1.343 -0.576 1.00 73.12 H new ATOM 13 N TYR A 12 1.896 -2.417 -1.159 1.00 2.53 N ATOM 14 CA TYR A 12 1.791 -3.764 -1.706 1.00 43.22 C ATOM 15 C TYR A 12 0.456 -3.960 -2.418 1.00 22.20 C ATOM 16 O TYR A 12 0.394 -4.562 -3.490 1.00 42.23 O ATOM 17 CB TYR A 12 1.947 -4.802 -0.594 1.00 74.41 C ATOM 18 CG TYR A 12 3.278 -4.732 0.119 1.00 41.32 C ATOM 19 CD1 TYR A 12 4.457 -5.070 -0.535 1.00 11.32 C ATOM 20 CD2 TYR A 12 3.358 -4.328 1.446 1.00 74.12 C ATOM 21 CE1 TYR A 12 5.676 -5.007 0.113 1.00 73.34 C ATOM 22 CE2 TYR A 12 4.572 -4.261 2.101 1.00 60.34 C ATOM 23 CZ TYR A 12 5.728 -4.602 1.430 1.00 62.10 C ATOM 24 OH TYR A 12 6.940 -4.538 2.079 1.00 32.32 O ATOM 0 H TYR A 12 1.895 -2.375 -0.140 1.00 2.53 H new ATOM 0 HA TYR A 12 2.592 -3.898 -2.433 1.00 43.22 H new ATOM 0 HB2 TYR A 12 1.147 -4.665 0.134 1.00 74.41 H new ATOM 0 HB3 TYR A 12 1.824 -5.798 -1.019 1.00 74.41 H new ATOM 0 HD1 TYR A 12 4.420 -5.387 -1.567 1.00 11.32 H new ATOM 0 HD2 TYR A 12 2.455 -4.062 1.975 1.00 74.12 H new ATOM 0 HE1 TYR A 12 6.583 -5.274 -0.409 1.00 73.34 H new ATOM 0 HE2 TYR A 12 4.616 -3.944 3.132 1.00 60.34 H new ATOM 0 HH TYR A 12 6.802 -4.234 3.000 1.00 32.32 H new ATOM 34 N ASP A 13 -0.610 -3.448 -1.813 1.00 42.54 N ATOM 35 CA ASP A 13 -1.945 -3.564 -2.389 1.00 2.13 C ATOM 36 C ASP A 13 -2.021 -2.847 -3.733 1.00 75.42 C ATOM 37 O ASP A 13 -0.998 -2.568 -4.358 1.00 3.34 O ATOM 38 CB ASP A 13 -2.988 -2.989 -1.430 1.00 14.41 C ATOM 39 CG ASP A 13 -3.025 -1.473 -1.455 1.00 61.23 C ATOM 40 OD1 ASP A 13 -1.986 -0.850 -1.154 1.00 21.04 O ATOM 41 OD2 ASP A 13 -4.093 -0.910 -1.776 1.00 61.41 O ATOM 0 H ASP A 13 -0.576 -2.949 -0.924 1.00 42.54 H new ATOM 0 HA ASP A 13 -2.154 -4.622 -2.550 1.00 2.13 H new ATOM 0 HB2 ASP A 13 -3.972 -3.378 -1.692 1.00 14.41 H new ATOM 0 HB3 ASP A 13 -2.771 -3.328 -0.417 1.00 14.41 H new ATOM 46 N ILE A 14 -3.241 -2.554 -4.173 1.00 64.40 N ATOM 47 CA ILE A 14 -3.450 -1.871 -5.443 1.00 51.22 C ATOM 48 C ILE A 14 -3.387 -0.357 -5.270 1.00 23.12 C ATOM 49 O ILE A 14 -4.043 0.222 -4.404 1.00 20.54 O ATOM 50 CB ILE A 14 -4.806 -2.248 -6.069 1.00 21.23 C ATOM 51 CG1 ILE A 14 -5.937 -2.018 -5.065 1.00 13.32 C ATOM 52 CG2 ILE A 14 -4.790 -3.697 -6.534 1.00 1.35 C ATOM 53 CD1 ILE A 14 -7.316 -2.243 -5.645 1.00 63.34 C ATOM 0 H ILE A 14 -4.098 -2.779 -3.669 1.00 64.40 H new ATOM 0 HA ILE A 14 -2.649 -2.192 -6.109 1.00 51.22 H new ATOM 0 HB ILE A 14 -4.979 -1.610 -6.936 1.00 21.23 H new ATOM 0 HG12 ILE A 14 -5.797 -2.684 -4.214 1.00 13.32 H new ATOM 0 HG13 ILE A 14 -5.873 -0.998 -4.686 1.00 13.32 H new ATOM 0 HG21 ILE A 14 -5.755 -3.949 -6.974 1.00 1.35 H new ATOM 0 HG22 ILE A 14 -4.005 -3.832 -7.279 1.00 1.35 H new ATOM 0 HG23 ILE A 14 -4.598 -4.350 -5.683 1.00 1.35 H new ATOM 0 HD11 ILE A 14 -8.068 -2.062 -4.877 1.00 63.34 H new ATOM 0 HD12 ILE A 14 -7.476 -1.559 -6.478 1.00 63.34 H new ATOM 0 HD13 ILE A 14 -7.399 -3.271 -5.999 1.00 63.34 H new ATOM 65 N PRO A 15 -2.579 0.302 -6.114 1.00 31.20 N ATOM 66 CA PRO A 15 -2.412 1.758 -6.076 1.00 33.32 C ATOM 67 C PRO A 15 -3.663 2.497 -6.540 1.00 23.20 C ATOM 68 O PRO A 15 -3.691 3.727 -6.581 1.00 4.44 O ATOM 69 CB PRO A 15 -1.253 2.007 -7.044 1.00 11.52 C ATOM 70 CG PRO A 15 -1.285 0.849 -7.980 1.00 20.12 C ATOM 71 CD PRO A 15 -1.767 -0.324 -7.171 1.00 40.42 C ATOM 0 HA PRO A 15 -2.226 2.121 -5.065 1.00 33.32 H new ATOM 0 HB2 PRO A 15 -1.378 2.950 -7.577 1.00 11.52 H new ATOM 0 HB3 PRO A 15 -0.301 2.063 -6.516 1.00 11.52 H new ATOM 0 HG2 PRO A 15 -1.952 1.044 -8.820 1.00 20.12 H new ATOM 0 HG3 PRO A 15 -0.296 0.656 -8.396 1.00 20.12 H new ATOM 0 HD2 PRO A 15 -2.356 -1.014 -7.775 1.00 40.42 H new ATOM 0 HD3 PRO A 15 -0.936 -0.894 -6.755 1.00 40.42 H new ATOM 79 N THR A 16 -4.697 1.739 -6.890 1.00 34.35 N ATOM 80 CA THR A 16 -5.951 2.322 -7.352 1.00 24.25 C ATOM 81 C THR A 16 -7.054 2.147 -6.314 1.00 61.53 C ATOM 82 O THR A 16 -8.239 2.136 -6.648 1.00 52.53 O ATOM 83 CB THR A 16 -6.407 1.692 -8.681 1.00 62.21 C ATOM 84 OG1 THR A 16 -5.268 1.375 -9.489 1.00 70.32 O ATOM 85 CG2 THR A 16 -7.326 2.637 -9.440 1.00 73.41 C ATOM 0 H THR A 16 -4.691 0.719 -6.862 1.00 34.35 H new ATOM 0 HA THR A 16 -5.767 3.385 -7.507 1.00 24.25 H new ATOM 0 HB THR A 16 -6.957 0.779 -8.455 1.00 62.21 H new ATOM 0 HG1 THR A 16 -5.566 0.973 -10.332 1.00 70.32 H new ATOM 0 HG21 THR A 16 -7.635 2.171 -10.375 1.00 73.41 H new ATOM 0 HG22 THR A 16 -8.206 2.854 -8.834 1.00 73.41 H new ATOM 0 HG23 THR A 16 -6.796 3.565 -9.655 1.00 73.41 H new ATOM 93 N THR A 17 -6.658 2.009 -5.053 1.00 5.23 N ATOM 94 CA THR A 17 -7.613 1.834 -3.966 1.00 61.12 C ATOM 95 C THR A 17 -8.240 3.164 -3.566 1.00 12.33 C ATOM 96 O THR A 17 -8.094 4.165 -4.267 1.00 35.03 O ATOM 97 CB THR A 17 -6.948 1.200 -2.730 1.00 3.11 C ATOM 98 OG1 THR A 17 -5.533 1.416 -2.770 1.00 43.31 O ATOM 99 CG2 THR A 17 -7.236 -0.292 -2.665 1.00 71.15 C ATOM 0 H THR A 17 -5.681 2.015 -4.759 1.00 5.23 H new ATOM 0 HA THR A 17 -8.391 1.165 -4.334 1.00 61.12 H new ATOM 0 HB THR A 17 -7.363 1.673 -1.840 1.00 3.11 H new ATOM 0 HG1 THR A 17 -5.106 0.694 -3.277 1.00 43.31 H new ATOM 0 HG21 THR A 17 -6.756 -0.717 -1.784 1.00 71.15 H new ATOM 0 HG22 THR A 17 -8.312 -0.452 -2.605 1.00 71.15 H new ATOM 0 HG23 THR A 17 -6.846 -0.777 -3.560 1.00 71.15 H new ATOM 107 N GLU A 18 -8.938 3.168 -2.434 1.00 24.40 N ATOM 108 CA GLU A 18 -9.587 4.377 -1.941 1.00 71.42 C ATOM 109 C GLU A 18 -8.561 5.351 -1.371 1.00 0.52 C ATOM 110 O GLU A 18 -7.896 6.074 -2.112 1.00 72.44 O ATOM 111 CB GLU A 18 -10.623 4.026 -0.871 1.00 73.15 C ATOM 112 CG GLU A 18 -11.915 3.460 -1.437 1.00 62.25 C ATOM 113 CD GLU A 18 -12.778 4.520 -2.094 1.00 30.32 C ATOM 114 OE1 GLU A 18 -12.560 4.807 -3.289 1.00 44.11 O ATOM 115 OE2 GLU A 18 -13.673 5.062 -1.411 1.00 63.42 O ATOM 0 H GLU A 18 -9.068 2.348 -1.842 1.00 24.40 H new ATOM 0 HA GLU A 18 -10.090 4.857 -2.780 1.00 71.42 H new ATOM 0 HB2 GLU A 18 -10.190 3.301 -0.182 1.00 73.15 H new ATOM 0 HB3 GLU A 18 -10.851 4.920 -0.291 1.00 73.15 H new ATOM 0 HG2 GLU A 18 -11.679 2.685 -2.167 1.00 62.25 H new ATOM 0 HG3 GLU A 18 -12.479 2.982 -0.636 1.00 62.25 H new ATOM 122 N ASN A 19 -8.439 5.366 -0.047 1.00 71.23 N ATOM 123 CA ASN A 19 -7.495 6.252 0.624 1.00 53.33 C ATOM 124 C ASN A 19 -6.217 5.506 0.993 1.00 3.42 C ATOM 125 O ASN A 19 -5.353 6.040 1.691 1.00 32.21 O ATOM 126 CB ASN A 19 -8.131 6.851 1.880 1.00 1.11 C ATOM 127 CG ASN A 19 -8.390 8.339 1.744 1.00 5.21 C ATOM 128 OD1 ASN A 19 -9.162 8.771 0.888 1.00 32.43 O ATOM 129 ND2 ASN A 19 -7.742 9.132 2.590 1.00 21.22 N ATOM 0 H ASN A 19 -8.982 4.775 0.582 1.00 71.23 H new ATOM 0 HA ASN A 19 -7.238 7.057 -0.064 1.00 53.33 H new ATOM 0 HB2 ASN A 19 -9.071 6.339 2.088 1.00 1.11 H new ATOM 0 HB3 ASN A 19 -7.477 6.675 2.734 1.00 1.11 H new ATOM 0 HD21 ASN A 19 -7.875 10.142 2.546 1.00 21.22 H new ATOM 0 HD22 ASN A 19 -7.111 8.731 3.284 1.00 21.22 H new ATOM 136 N LEU A 20 -6.102 4.270 0.520 1.00 0.33 N ATOM 137 CA LEU A 20 -4.928 3.450 0.800 1.00 54.01 C ATOM 138 C LEU A 20 -3.698 3.998 0.083 1.00 32.45 C ATOM 139 O LEU A 20 -2.569 3.605 0.379 1.00 12.31 O ATOM 140 CB LEU A 20 -5.180 2.003 0.372 1.00 23.03 C ATOM 141 CG LEU A 20 -6.159 1.208 1.237 1.00 24.10 C ATOM 142 CD1 LEU A 20 -7.064 2.147 2.019 1.00 73.22 C ATOM 143 CD2 LEU A 20 -6.983 0.262 0.377 1.00 74.14 C ATOM 0 H LEU A 20 -6.807 3.814 -0.059 1.00 0.33 H new ATOM 0 HA LEU A 20 -4.742 3.478 1.874 1.00 54.01 H new ATOM 0 HB2 LEU A 20 -5.553 2.008 -0.652 1.00 23.03 H new ATOM 0 HB3 LEU A 20 -4.225 1.477 0.362 1.00 23.03 H new ATOM 0 HG LEU A 20 -5.586 0.613 1.949 1.00 24.10 H new ATOM 0 HD11 LEU A 20 -7.754 1.564 2.629 1.00 73.22 H new ATOM 0 HD12 LEU A 20 -6.458 2.783 2.664 1.00 73.22 H new ATOM 0 HD13 LEU A 20 -7.630 2.769 1.325 1.00 73.22 H new ATOM 0 HD21 LEU A 20 -7.674 -0.296 1.009 1.00 74.14 H new ATOM 0 HD22 LEU A 20 -7.546 0.836 -0.358 1.00 74.14 H new ATOM 0 HD23 LEU A 20 -6.320 -0.434 -0.137 1.00 74.14 H new ATOM 155 N TYR A 21 -3.924 4.907 -0.858 1.00 12.33 N ATOM 156 CA TYR A 21 -2.834 5.509 -1.617 1.00 13.15 C ATOM 157 C TYR A 21 -2.387 6.822 -0.980 1.00 74.24 C ATOM 158 O TYR A 21 -1.483 7.491 -1.480 1.00 51.32 O ATOM 159 CB TYR A 21 -3.266 5.752 -3.064 1.00 24.41 C ATOM 160 CG TYR A 21 -4.095 7.003 -3.247 1.00 65.21 C ATOM 161 CD1 TYR A 21 -3.490 8.245 -3.391 1.00 5.51 C ATOM 162 CD2 TYR A 21 -5.482 6.943 -3.275 1.00 73.23 C ATOM 163 CE1 TYR A 21 -4.243 9.392 -3.558 1.00 23.41 C ATOM 164 CE2 TYR A 21 -6.243 8.083 -3.443 1.00 53.43 C ATOM 165 CZ TYR A 21 -5.619 9.305 -3.584 1.00 10.31 C ATOM 166 OH TYR A 21 -6.374 10.444 -3.750 1.00 24.01 O ATOM 0 H TYR A 21 -4.852 5.244 -1.114 1.00 12.33 H new ATOM 0 HA TYR A 21 -1.992 4.817 -1.608 1.00 13.15 H new ATOM 0 HB2 TYR A 21 -2.378 5.819 -3.693 1.00 24.41 H new ATOM 0 HB3 TYR A 21 -3.839 4.893 -3.412 1.00 24.41 H new ATOM 0 HD1 TYR A 21 -2.412 8.316 -3.372 1.00 5.51 H new ATOM 0 HD2 TYR A 21 -5.974 5.988 -3.163 1.00 73.23 H new ATOM 0 HE1 TYR A 21 -3.757 10.350 -3.667 1.00 23.41 H new ATOM 0 HE2 TYR A 21 -7.321 8.018 -3.464 1.00 53.43 H new ATOM 0 HH TYR A 21 -6.043 11.146 -3.151 1.00 24.01 H new ATOM 176 N PHE A 22 -3.028 7.183 0.126 1.00 1.53 N ATOM 177 CA PHE A 22 -2.698 8.416 0.832 1.00 0.04 C ATOM 178 C PHE A 22 -1.769 8.136 2.010 1.00 13.14 C ATOM 179 O PHE A 22 -0.835 8.893 2.270 1.00 2.50 O ATOM 180 CB PHE A 22 -3.973 9.103 1.326 1.00 50.13 C ATOM 181 CG PHE A 22 -4.365 10.300 0.506 1.00 24.44 C ATOM 182 CD1 PHE A 22 -3.585 11.445 0.512 1.00 30.03 C ATOM 183 CD2 PHE A 22 -5.513 10.279 -0.269 1.00 64.02 C ATOM 184 CE1 PHE A 22 -3.942 12.548 -0.241 1.00 32.42 C ATOM 185 CE2 PHE A 22 -5.875 11.378 -1.025 1.00 5.35 C ATOM 186 CZ PHE A 22 -5.089 12.514 -1.009 1.00 52.44 C ATOM 0 H PHE A 22 -3.779 6.640 0.553 1.00 1.53 H new ATOM 0 HA PHE A 22 -2.184 9.078 0.135 1.00 0.04 H new ATOM 0 HB2 PHE A 22 -4.791 8.383 1.317 1.00 50.13 H new ATOM 0 HB3 PHE A 22 -3.832 9.412 2.362 1.00 50.13 H new ATOM 0 HD1 PHE A 22 -2.688 11.476 1.112 1.00 30.03 H new ATOM 0 HD2 PHE A 22 -6.132 9.394 -0.283 1.00 64.02 H new ATOM 0 HE1 PHE A 22 -3.325 13.434 -0.229 1.00 32.42 H new ATOM 0 HE2 PHE A 22 -6.771 11.349 -1.627 1.00 5.35 H new ATOM 0 HZ PHE A 22 -5.371 13.375 -1.597 1.00 52.44 H new ATOM 196 N GLN A 23 -2.035 7.044 2.719 1.00 31.41 N ATOM 197 CA GLN A 23 -1.224 6.664 3.870 1.00 14.31 C ATOM 198 C GLN A 23 0.182 6.263 3.437 1.00 11.30 C ATOM 199 O GLN A 23 1.169 6.657 4.057 1.00 41.24 O ATOM 200 CB GLN A 23 -1.885 5.512 4.629 1.00 72.04 C ATOM 201 CG GLN A 23 -3.114 5.930 5.420 1.00 71.12 C ATOM 202 CD GLN A 23 -4.409 5.502 4.756 1.00 5.35 C ATOM 203 OE1 GLN A 23 -5.288 6.324 4.498 1.00 13.24 O ATOM 204 NE2 GLN A 23 -4.532 4.210 4.476 1.00 2.23 N ATOM 0 H GLN A 23 -2.805 6.407 2.517 1.00 31.41 H new ATOM 0 HA GLN A 23 -1.148 7.528 4.530 1.00 14.31 H new ATOM 0 HB2 GLN A 23 -2.167 4.735 3.919 1.00 72.04 H new ATOM 0 HB3 GLN A 23 -1.157 5.072 5.310 1.00 72.04 H new ATOM 0 HG2 GLN A 23 -3.062 5.498 6.419 1.00 71.12 H new ATOM 0 HG3 GLN A 23 -3.113 7.013 5.541 1.00 71.12 H new ATOM 0 HE21 GLN A 23 -3.778 3.564 4.708 1.00 2.23 H new ATOM 0 HE22 GLN A 23 -5.381 3.864 4.029 1.00 2.23 H new ATOM 213 N GLY A 24 0.265 5.476 2.368 1.00 2.44 N ATOM 214 CA GLY A 24 1.555 5.035 1.871 1.00 30.21 C ATOM 215 C GLY A 24 2.577 6.153 1.838 1.00 44.35 C ATOM 216 O GLY A 24 3.775 5.913 1.983 1.00 24.22 O ATOM 0 H GLY A 24 -0.538 5.136 1.838 1.00 2.44 H new ATOM 0 HA2 GLY A 24 1.926 4.226 2.501 1.00 30.21 H new ATOM 0 HA3 GLY A 24 1.434 4.628 0.867 1.00 30.21 H new ATOM 220 N ALA A 25 2.104 7.380 1.643 1.00 21.13 N ATOM 221 CA ALA A 25 2.986 8.540 1.591 1.00 34.53 C ATOM 222 C ALA A 25 3.880 8.605 2.825 1.00 51.13 C ATOM 223 O ALA A 25 5.105 8.632 2.714 1.00 62.54 O ATOM 224 CB ALA A 25 2.170 9.817 1.460 1.00 51.21 C ATOM 0 H ALA A 25 1.115 7.596 1.518 1.00 21.13 H new ATOM 0 HA ALA A 25 3.627 8.440 0.715 1.00 34.53 H new ATOM 0 HB1 ALA A 25 2.841 10.675 1.422 1.00 51.21 H new ATOM 0 HB2 ALA A 25 1.578 9.778 0.545 1.00 51.21 H new ATOM 0 HB3 ALA A 25 1.505 9.914 2.318 1.00 51.21 H new ATOM 230 N MET A 26 3.259 8.632 3.999 1.00 31.14 N ATOM 231 CA MET A 26 4.000 8.694 5.254 1.00 50.12 C ATOM 232 C MET A 26 4.687 7.364 5.546 1.00 60.22 C ATOM 233 O MET A 26 5.437 7.241 6.514 1.00 41.43 O ATOM 234 CB MET A 26 3.064 9.062 6.406 1.00 35.44 C ATOM 235 CG MET A 26 1.831 8.176 6.494 1.00 52.43 C ATOM 236 SD MET A 26 0.824 8.529 7.947 1.00 13.51 S ATOM 237 CE MET A 26 0.189 10.153 7.533 1.00 22.52 C ATOM 0 H MET A 26 2.245 8.612 4.108 1.00 31.14 H new ATOM 0 HA MET A 26 4.765 9.464 5.158 1.00 50.12 H new ATOM 0 HB2 MET A 26 3.614 8.999 7.345 1.00 35.44 H new ATOM 0 HB3 MET A 26 2.749 10.099 6.290 1.00 35.44 H new ATOM 0 HG2 MET A 26 1.227 8.311 5.597 1.00 52.43 H new ATOM 0 HG3 MET A 26 2.140 7.131 6.516 1.00 52.43 H new ATOM 0 HE1 MET A 26 -0.600 10.425 8.235 1.00 22.52 H new ATOM 0 HE2 MET A 26 0.995 10.885 7.592 1.00 22.52 H new ATOM 0 HE3 MET A 26 -0.215 10.139 6.521 1.00 22.52 H new ATOM 247 N ALA A 27 4.425 6.370 4.703 1.00 44.21 N ATOM 248 CA ALA A 27 5.020 5.050 4.870 1.00 21.02 C ATOM 249 C ALA A 27 6.490 5.055 4.466 1.00 64.13 C ATOM 250 O ALA A 27 7.273 4.222 4.923 1.00 22.10 O ATOM 251 CB ALA A 27 4.251 4.018 4.059 1.00 71.01 C ATOM 0 H ALA A 27 3.805 6.454 3.898 1.00 44.21 H new ATOM 0 HA ALA A 27 4.962 4.783 5.925 1.00 21.02 H new ATOM 0 HB1 ALA A 27 4.706 3.037 4.193 1.00 71.01 H new ATOM 0 HB2 ALA A 27 3.216 3.987 4.398 1.00 71.01 H new ATOM 0 HB3 ALA A 27 4.279 4.290 3.004 1.00 71.01 H new ATOM 257 N PHE A 28 6.859 5.998 3.605 1.00 63.31 N ATOM 258 CA PHE A 28 8.236 6.110 3.137 1.00 31.32 C ATOM 259 C PHE A 28 9.175 6.454 4.289 1.00 4.42 C ATOM 260 O PHE A 28 10.397 6.432 4.136 1.00 32.44 O ATOM 261 CB PHE A 28 8.340 7.174 2.043 1.00 3.21 C ATOM 262 CG PHE A 28 7.488 6.884 0.841 1.00 64.53 C ATOM 263 CD1 PHE A 28 7.619 5.686 0.156 1.00 40.33 C ATOM 264 CD2 PHE A 28 6.557 7.808 0.395 1.00 24.11 C ATOM 265 CE1 PHE A 28 6.836 5.415 -0.951 1.00 4.41 C ATOM 266 CE2 PHE A 28 5.772 7.542 -0.711 1.00 13.55 C ATOM 267 CZ PHE A 28 5.912 6.345 -1.385 1.00 42.41 C ATOM 0 H PHE A 28 6.224 6.696 3.217 1.00 63.31 H new ATOM 0 HA PHE A 28 8.533 5.146 2.725 1.00 31.32 H new ATOM 0 HB2 PHE A 28 8.052 8.140 2.458 1.00 3.21 H new ATOM 0 HB3 PHE A 28 9.380 7.260 1.729 1.00 3.21 H new ATOM 0 HD1 PHE A 28 8.341 4.956 0.491 1.00 40.33 H new ATOM 0 HD2 PHE A 28 6.443 8.746 0.917 1.00 24.11 H new ATOM 0 HE1 PHE A 28 6.947 4.477 -1.475 1.00 4.41 H new ATOM 0 HE2 PHE A 28 5.049 8.270 -1.048 1.00 13.55 H new ATOM 0 HZ PHE A 28 5.300 6.136 -2.250 1.00 42.41 H new ATOM 277 N ASP A 29 8.596 6.774 5.441 1.00 23.13 N ATOM 278 CA ASP A 29 9.381 7.123 6.620 1.00 15.21 C ATOM 279 C ASP A 29 10.023 5.883 7.232 1.00 24.43 C ATOM 280 O ASP A 29 11.216 5.637 7.055 1.00 12.30 O ATOM 281 CB ASP A 29 8.499 7.820 7.657 1.00 13.43 C ATOM 282 CG ASP A 29 8.750 9.314 7.721 1.00 44.11 C ATOM 283 OD1 ASP A 29 9.173 9.889 6.696 1.00 51.22 O ATOM 284 OD2 ASP A 29 8.524 9.908 8.796 1.00 40.14 O ATOM 0 H ASP A 29 7.586 6.799 5.584 1.00 23.13 H new ATOM 0 HA ASP A 29 10.173 7.805 6.310 1.00 15.21 H new ATOM 0 HB2 ASP A 29 7.451 7.641 7.417 1.00 13.43 H new ATOM 0 HB3 ASP A 29 8.681 7.382 8.638 1.00 13.43 H new ATOM 289 N GLY A 30 9.224 5.103 7.955 1.00 3.40 N ATOM 290 CA GLY A 30 9.733 3.899 8.584 1.00 64.54 C ATOM 291 C GLY A 30 8.753 2.745 8.506 1.00 14.41 C ATOM 292 O GLY A 30 8.947 1.713 9.147 1.00 10.44 O ATOM 0 H GLY A 30 8.233 5.284 8.116 1.00 3.40 H new ATOM 0 HA2 GLY A 30 10.668 3.610 8.105 1.00 64.54 H new ATOM 0 HA3 GLY A 30 9.961 4.108 9.629 1.00 64.54 H new ATOM 296 N GLU A 31 7.695 2.922 7.720 1.00 62.42 N ATOM 297 CA GLU A 31 6.679 1.887 7.564 1.00 43.23 C ATOM 298 C GLU A 31 7.289 0.607 7.001 1.00 71.43 C ATOM 299 O GLU A 31 7.510 0.489 5.795 1.00 1.52 O ATOM 300 CB GLU A 31 5.557 2.377 6.646 1.00 4.40 C ATOM 301 CG GLU A 31 4.395 1.406 6.534 1.00 74.21 C ATOM 302 CD GLU A 31 3.047 2.099 6.593 1.00 3.10 C ATOM 303 OE1 GLU A 31 2.559 2.351 7.715 1.00 44.53 O ATOM 304 OE2 GLU A 31 2.481 2.389 5.519 1.00 72.13 O ATOM 0 H GLU A 31 7.519 3.771 7.182 1.00 62.42 H new ATOM 0 HA GLU A 31 6.264 1.669 8.548 1.00 43.23 H new ATOM 0 HB2 GLU A 31 5.187 3.333 7.017 1.00 4.40 H new ATOM 0 HB3 GLU A 31 5.965 2.558 5.652 1.00 4.40 H new ATOM 0 HG2 GLU A 31 4.476 0.856 5.597 1.00 74.21 H new ATOM 0 HG3 GLU A 31 4.459 0.675 7.340 1.00 74.21 H new ATOM 311 N ASP A 32 7.558 -0.350 7.882 1.00 64.32 N ATOM 312 CA ASP A 32 8.142 -1.623 7.474 1.00 40.00 C ATOM 313 C ASP A 32 7.053 -2.644 7.160 1.00 62.31 C ATOM 314 O ASP A 32 5.890 -2.288 6.977 1.00 72.01 O ATOM 315 CB ASP A 32 9.062 -2.161 8.571 1.00 64.24 C ATOM 316 CG ASP A 32 10.363 -2.709 8.017 1.00 22.25 C ATOM 317 OD1 ASP A 32 10.339 -3.806 7.421 1.00 15.13 O ATOM 318 OD2 ASP A 32 11.406 -2.042 8.182 1.00 41.34 O ATOM 0 H ASP A 32 7.381 -0.269 8.883 1.00 64.32 H new ATOM 0 HA ASP A 32 8.728 -1.453 6.570 1.00 40.00 H new ATOM 0 HB2 ASP A 32 9.280 -1.364 9.282 1.00 64.24 H new ATOM 0 HB3 ASP A 32 8.545 -2.947 9.122 1.00 64.24 H new ATOM 323 N GLU A 33 7.440 -3.915 7.098 1.00 4.42 N ATOM 324 CA GLU A 33 6.497 -4.987 6.804 1.00 13.40 C ATOM 325 C GLU A 33 6.120 -5.744 8.074 1.00 1.33 C ATOM 326 O GLU A 33 6.983 -6.277 8.771 1.00 23.24 O ATOM 327 CB GLU A 33 7.092 -5.953 5.779 1.00 64.44 C ATOM 328 CG GLU A 33 8.389 -6.601 6.234 1.00 2.02 C ATOM 329 CD GLU A 33 9.065 -7.393 5.132 1.00 53.04 C ATOM 330 OE1 GLU A 33 9.158 -6.873 4.000 1.00 3.51 O ATOM 331 OE2 GLU A 33 9.499 -8.532 5.400 1.00 63.54 O ATOM 0 H GLU A 33 8.400 -4.227 7.247 1.00 4.42 H new ATOM 0 HA GLU A 33 5.595 -4.538 6.388 1.00 13.40 H new ATOM 0 HB2 GLU A 33 6.363 -6.733 5.562 1.00 64.44 H new ATOM 0 HB3 GLU A 33 7.271 -5.416 4.848 1.00 64.44 H new ATOM 0 HG2 GLU A 33 9.070 -5.829 6.591 1.00 2.02 H new ATOM 0 HG3 GLU A 33 8.185 -7.261 7.077 1.00 2.02 H new ATOM 338 N VAL A 34 4.825 -5.785 8.369 1.00 33.43 N ATOM 339 CA VAL A 34 4.332 -6.477 9.555 1.00 44.02 C ATOM 340 C VAL A 34 4.150 -7.966 9.286 1.00 20.50 C ATOM 341 O VAL A 34 5.027 -8.619 8.719 1.00 61.01 O ATOM 342 CB VAL A 34 2.994 -5.885 10.034 1.00 33.34 C ATOM 343 CG1 VAL A 34 2.736 -6.255 11.487 1.00 21.21 C ATOM 344 CG2 VAL A 34 2.983 -4.375 9.850 1.00 34.31 C ATOM 0 H VAL A 34 4.098 -5.347 7.803 1.00 33.43 H new ATOM 0 HA VAL A 34 5.081 -6.341 10.335 1.00 44.02 H new ATOM 0 HB VAL A 34 2.192 -6.308 9.428 1.00 33.34 H new ATOM 0 HG11 VAL A 34 1.786 -5.828 11.808 1.00 21.21 H new ATOM 0 HG12 VAL A 34 2.698 -7.340 11.585 1.00 21.21 H new ATOM 0 HG13 VAL A 34 3.539 -5.863 12.111 1.00 21.21 H new ATOM 0 HG21 VAL A 34 2.030 -3.974 10.194 1.00 34.31 H new ATOM 0 HG22 VAL A 34 3.793 -3.932 10.429 1.00 34.31 H new ATOM 0 HG23 VAL A 34 3.118 -4.136 8.795 1.00 34.31 H new ATOM 354 N THR A 35 3.004 -8.500 9.697 1.00 72.42 N ATOM 355 CA THR A 35 2.706 -9.914 9.501 1.00 15.53 C ATOM 356 C THR A 35 1.276 -10.111 9.011 1.00 53.10 C ATOM 357 O THR A 35 1.048 -10.679 7.944 1.00 51.02 O ATOM 358 CB THR A 35 2.906 -10.715 10.801 1.00 34.04 C ATOM 359 OG1 THR A 35 1.848 -10.426 11.723 1.00 43.22 O ATOM 360 CG2 THR A 35 4.246 -10.385 11.440 1.00 42.51 C ATOM 0 H THR A 35 2.267 -7.975 10.168 1.00 72.42 H new ATOM 0 HA THR A 35 3.400 -10.282 8.746 1.00 15.53 H new ATOM 0 HB THR A 35 2.891 -11.776 10.553 1.00 34.04 H new ATOM 0 HG1 THR A 35 1.683 -11.210 12.288 1.00 43.22 H new ATOM 0 HG21 THR A 35 4.364 -10.963 12.357 1.00 42.51 H new ATOM 0 HG22 THR A 35 5.050 -10.634 10.748 1.00 42.51 H new ATOM 0 HG23 THR A 35 4.285 -9.321 11.674 1.00 42.51 H new ATOM 368 N GLY A 36 0.314 -9.637 9.798 1.00 62.12 N ATOM 369 CA GLY A 36 -1.082 -9.771 9.426 1.00 71.21 C ATOM 370 C GLY A 36 -2.020 -9.244 10.494 1.00 62.21 C ATOM 371 O GLY A 36 -2.698 -8.233 10.311 1.00 5.31 O ATOM 0 H GLY A 36 0.477 -9.163 10.686 1.00 62.12 H new ATOM 0 HA2 GLY A 36 -1.260 -9.234 8.494 1.00 71.21 H new ATOM 0 HA3 GLY A 36 -1.305 -10.821 9.237 1.00 71.21 H new ATOM 375 N PRO A 37 -2.069 -9.940 11.640 1.00 45.13 N ATOM 376 CA PRO A 37 -2.928 -9.555 12.763 1.00 22.24 C ATOM 377 C PRO A 37 -2.453 -8.277 13.445 1.00 5.15 C ATOM 378 O PRO A 37 -1.368 -7.773 13.154 1.00 3.00 O ATOM 379 CB PRO A 37 -2.815 -10.745 13.720 1.00 71.24 C ATOM 380 CG PRO A 37 -1.498 -11.364 13.401 1.00 1.20 C ATOM 381 CD PRO A 37 -1.288 -11.155 11.927 1.00 72.23 C ATOM 0 HA PRO A 37 -3.948 -9.343 12.442 1.00 22.24 H new ATOM 0 HB2 PRO A 37 -2.859 -10.422 14.760 1.00 71.24 H new ATOM 0 HB3 PRO A 37 -3.631 -11.452 13.571 1.00 71.24 H new ATOM 0 HG2 PRO A 37 -0.699 -10.900 13.979 1.00 1.20 H new ATOM 0 HG3 PRO A 37 -1.495 -12.425 13.649 1.00 1.20 H new ATOM 0 HD2 PRO A 37 -0.233 -11.021 11.686 1.00 72.23 H new ATOM 0 HD3 PRO A 37 -1.642 -12.007 11.346 1.00 72.23 H new ATOM 389 N ASP A 38 -3.270 -7.758 14.354 1.00 14.34 N ATOM 390 CA ASP A 38 -2.933 -6.538 15.079 1.00 25.44 C ATOM 391 C ASP A 38 -1.822 -6.798 16.092 1.00 65.40 C ATOM 392 O ASP A 38 -1.090 -5.885 16.473 1.00 21.55 O ATOM 393 CB ASP A 38 -4.168 -5.983 15.790 1.00 22.44 C ATOM 394 CG ASP A 38 -4.720 -6.943 16.826 1.00 62.20 C ATOM 395 OD1 ASP A 38 -5.347 -7.948 16.430 1.00 61.14 O ATOM 396 OD2 ASP A 38 -4.524 -6.690 18.033 1.00 50.01 O ATOM 0 H ASP A 38 -4.171 -8.163 14.607 1.00 14.34 H new ATOM 0 HA ASP A 38 -2.578 -5.802 14.357 1.00 25.44 H new ATOM 0 HB2 ASP A 38 -3.913 -5.040 16.273 1.00 22.44 H new ATOM 0 HB3 ASP A 38 -4.941 -5.765 15.053 1.00 22.44 H new ATOM 401 N ALA A 39 -1.702 -8.050 16.524 1.00 54.32 N ATOM 402 CA ALA A 39 -0.681 -8.430 17.491 1.00 5.11 C ATOM 403 C ALA A 39 0.709 -8.028 17.008 1.00 20.52 C ATOM 404 O ALA A 39 1.523 -7.522 17.781 1.00 52.13 O ATOM 405 CB ALA A 39 -0.737 -9.927 17.757 1.00 2.13 C ATOM 0 H ALA A 39 -2.300 -8.818 16.219 1.00 54.32 H new ATOM 0 HA ALA A 39 -0.881 -7.899 18.422 1.00 5.11 H new ATOM 0 HB1 ALA A 39 0.031 -10.197 18.481 1.00 2.13 H new ATOM 0 HB2 ALA A 39 -1.718 -10.190 18.154 1.00 2.13 H new ATOM 0 HB3 ALA A 39 -0.565 -10.469 16.827 1.00 2.13 H new ATOM 411 N ASP A 40 0.974 -8.259 15.727 1.00 2.40 N ATOM 412 CA ASP A 40 2.266 -7.920 15.141 1.00 60.31 C ATOM 413 C ASP A 40 2.334 -6.436 14.796 1.00 43.12 C ATOM 414 O ASP A 40 3.355 -5.784 15.016 1.00 11.31 O ATOM 415 CB ASP A 40 2.517 -8.760 13.887 1.00 31.14 C ATOM 416 CG ASP A 40 2.918 -10.185 14.216 1.00 43.32 C ATOM 417 OD1 ASP A 40 4.118 -10.419 14.473 1.00 54.54 O ATOM 418 OD2 ASP A 40 2.033 -11.066 14.215 1.00 22.00 O ATOM 0 H ASP A 40 0.312 -8.679 15.075 1.00 2.40 H new ATOM 0 HA ASP A 40 3.040 -8.139 15.877 1.00 60.31 H new ATOM 0 HB2 ASP A 40 1.616 -8.771 13.274 1.00 31.14 H new ATOM 0 HB3 ASP A 40 3.301 -8.293 13.291 1.00 31.14 H new ATOM 423 N ARG A 41 1.242 -5.909 14.253 1.00 73.12 N ATOM 424 CA ARG A 41 1.178 -4.502 13.875 1.00 25.40 C ATOM 425 C ARG A 41 1.370 -3.603 15.093 1.00 74.20 C ATOM 426 O ARG A 41 2.006 -2.554 15.008 1.00 5.32 O ATOM 427 CB ARG A 41 -0.161 -4.192 13.204 1.00 62.21 C ATOM 428 CG ARG A 41 -1.198 -3.615 14.153 1.00 74.20 C ATOM 429 CD ARG A 41 -2.526 -3.380 13.450 1.00 12.51 C ATOM 430 NE ARG A 41 -2.821 -4.423 12.472 1.00 65.21 N ATOM 431 CZ ARG A 41 -4.037 -4.916 12.267 1.00 62.23 C ATOM 432 NH1 ARG A 41 -5.067 -4.462 12.968 1.00 63.44 N ATOM 433 NH2 ARG A 41 -4.225 -5.865 11.358 1.00 21.03 N ATOM 0 H ARG A 41 0.389 -6.435 14.065 1.00 73.12 H new ATOM 0 HA ARG A 41 1.984 -4.304 13.168 1.00 25.40 H new ATOM 0 HB2 ARG A 41 0.005 -3.488 12.389 1.00 62.21 H new ATOM 0 HB3 ARG A 41 -0.556 -5.106 12.760 1.00 62.21 H new ATOM 0 HG2 ARG A 41 -1.344 -4.296 14.992 1.00 74.20 H new ATOM 0 HG3 ARG A 41 -0.832 -2.675 14.566 1.00 74.20 H new ATOM 0 HD2 ARG A 41 -3.325 -3.341 14.190 1.00 12.51 H new ATOM 0 HD3 ARG A 41 -2.505 -2.411 12.951 1.00 12.51 H new ATOM 0 HE ARG A 41 -2.051 -4.794 11.915 1.00 65.21 H new ATOM 0 HH11 ARG A 41 -4.926 -3.732 13.667 1.00 63.44 H new ATOM 0 HH12 ARG A 41 -6.000 -4.842 12.808 1.00 63.44 H new ATOM 0 HH21 ARG A 41 -3.435 -6.216 10.816 1.00 21.03 H new ATOM 0 HH22 ARG A 41 -5.159 -6.243 11.201 1.00 21.03 H new ATOM 447 N ALA A 42 0.813 -4.022 16.225 1.00 71.43 N ATOM 448 CA ALA A 42 0.923 -3.256 17.460 1.00 62.32 C ATOM 449 C ALA A 42 2.360 -3.242 17.971 1.00 71.43 C ATOM 450 O ALA A 42 2.812 -2.256 18.552 1.00 22.25 O ATOM 451 CB ALA A 42 -0.010 -3.825 18.519 1.00 50.25 C ATOM 0 H ALA A 42 0.281 -4.888 16.312 1.00 71.43 H new ATOM 0 HA ALA A 42 0.630 -2.228 17.248 1.00 62.32 H new ATOM 0 HB1 ALA A 42 0.083 -3.243 19.436 1.00 50.25 H new ATOM 0 HB2 ALA A 42 -1.039 -3.777 18.161 1.00 50.25 H new ATOM 0 HB3 ALA A 42 0.257 -4.863 18.719 1.00 50.25 H new ATOM 457 N ARG A 43 3.072 -4.343 17.750 1.00 1.42 N ATOM 458 CA ARG A 43 4.457 -4.457 18.190 1.00 3.04 C ATOM 459 C ARG A 43 5.394 -3.721 17.236 1.00 34.50 C ATOM 460 O ARG A 43 6.349 -3.074 17.664 1.00 73.12 O ATOM 461 CB ARG A 43 4.864 -5.929 18.288 1.00 50.54 C ATOM 462 CG ARG A 43 5.630 -6.430 17.075 1.00 65.03 C ATOM 463 CD ARG A 43 5.661 -7.950 17.024 1.00 3.44 C ATOM 464 NE ARG A 43 7.000 -8.461 16.740 1.00 14.34 N ATOM 465 CZ ARG A 43 7.584 -8.369 15.551 1.00 21.40 C ATOM 466 NH1 ARG A 43 6.951 -7.789 14.541 1.00 64.24 N ATOM 467 NH2 ARG A 43 8.804 -8.859 15.371 1.00 43.42 N ATOM 0 H ARG A 43 2.713 -5.168 17.269 1.00 1.42 H new ATOM 0 HA ARG A 43 4.537 -3.998 19.176 1.00 3.04 H new ATOM 0 HB2 ARG A 43 5.477 -6.069 19.178 1.00 50.54 H new ATOM 0 HB3 ARG A 43 3.969 -6.537 18.419 1.00 50.54 H new ATOM 0 HG2 ARG A 43 5.168 -6.044 16.167 1.00 65.03 H new ATOM 0 HG3 ARG A 43 6.649 -6.045 17.103 1.00 65.03 H new ATOM 0 HD2 ARG A 43 5.314 -8.352 17.976 1.00 3.44 H new ATOM 0 HD3 ARG A 43 4.969 -8.301 16.259 1.00 3.44 H new ATOM 0 HE ARG A 43 7.514 -8.913 17.496 1.00 14.34 H new ATOM 0 HH11 ARG A 43 6.013 -7.412 14.676 1.00 64.24 H new ATOM 0 HH12 ARG A 43 7.402 -7.720 13.629 1.00 64.24 H new ATOM 0 HH21 ARG A 43 9.293 -9.306 16.146 1.00 43.42 H new ATOM 0 HH22 ARG A 43 9.252 -8.788 14.458 1.00 43.42 H new ATOM 481 N ALA A 44 5.113 -3.827 15.941 1.00 15.23 N ATOM 482 CA ALA A 44 5.928 -3.171 14.927 1.00 41.22 C ATOM 483 C ALA A 44 5.563 -1.696 14.799 1.00 44.34 C ATOM 484 O ALA A 44 6.398 -0.819 15.019 1.00 43.15 O ATOM 485 CB ALA A 44 5.770 -3.874 13.587 1.00 50.02 C ATOM 0 H ALA A 44 4.327 -4.361 15.570 1.00 15.23 H new ATOM 0 HA ALA A 44 6.971 -3.235 15.237 1.00 41.22 H new ATOM 0 HB1 ALA A 44 6.384 -3.373 12.839 1.00 50.02 H new ATOM 0 HB2 ALA A 44 6.087 -4.913 13.681 1.00 50.02 H new ATOM 0 HB3 ALA A 44 4.725 -3.841 13.280 1.00 50.02 H new ATOM 491 N ALA A 45 4.311 -1.429 14.441 1.00 65.42 N ATOM 492 CA ALA A 45 3.836 -0.060 14.285 1.00 64.34 C ATOM 493 C ALA A 45 4.130 0.768 15.531 1.00 51.12 C ATOM 494 O ALA A 45 4.208 1.995 15.468 1.00 30.41 O ATOM 495 CB ALA A 45 2.346 -0.050 13.981 1.00 75.30 C ATOM 0 H ALA A 45 3.607 -2.143 14.254 1.00 65.42 H new ATOM 0 HA ALA A 45 4.369 0.390 13.448 1.00 64.34 H new ATOM 0 HB1 ALA A 45 2.005 0.979 13.867 1.00 75.30 H new ATOM 0 HB2 ALA A 45 2.159 -0.599 13.058 1.00 75.30 H new ATOM 0 HB3 ALA A 45 1.804 -0.523 14.800 1.00 75.30 H new ATOM 501 N ALA A 46 4.291 0.090 16.662 1.00 31.23 N ATOM 502 CA ALA A 46 4.577 0.763 17.923 1.00 50.52 C ATOM 503 C ALA A 46 5.841 1.609 17.818 1.00 4.45 C ATOM 504 O ALA A 46 5.774 2.832 17.688 1.00 32.30 O ATOM 505 CB ALA A 46 4.711 -0.254 19.046 1.00 3.33 C ATOM 0 H ALA A 46 4.228 -0.926 16.731 1.00 31.23 H new ATOM 0 HA ALA A 46 3.744 1.428 18.149 1.00 50.52 H new ATOM 0 HB1 ALA A 46 4.925 0.263 19.982 1.00 3.33 H new ATOM 0 HB2 ALA A 46 3.780 -0.812 19.144 1.00 3.33 H new ATOM 0 HB3 ALA A 46 5.525 -0.943 18.818 1.00 3.33 H new ATOM 511 N VAL A 47 6.995 0.951 17.877 1.00 12.25 N ATOM 512 CA VAL A 47 8.275 1.643 17.789 1.00 2.02 C ATOM 513 C VAL A 47 9.013 1.272 16.508 1.00 41.22 C ATOM 514 O VAL A 47 9.978 1.932 16.123 1.00 21.12 O ATOM 515 CB VAL A 47 9.173 1.318 18.998 1.00 41.41 C ATOM 516 CG1 VAL A 47 10.453 2.138 18.948 1.00 44.14 C ATOM 517 CG2 VAL A 47 8.424 1.564 20.299 1.00 72.12 C ATOM 0 H VAL A 47 7.069 -0.061 17.985 1.00 12.25 H new ATOM 0 HA VAL A 47 8.058 2.711 17.784 1.00 2.02 H new ATOM 0 HB VAL A 47 9.443 0.263 18.954 1.00 41.41 H new ATOM 0 HG11 VAL A 47 11.075 1.895 19.810 1.00 44.14 H new ATOM 0 HG12 VAL A 47 10.997 1.908 18.032 1.00 44.14 H new ATOM 0 HG13 VAL A 47 10.206 3.199 18.967 1.00 44.14 H new ATOM 0 HG21 VAL A 47 9.073 1.329 21.143 1.00 72.12 H new ATOM 0 HG22 VAL A 47 8.123 2.610 20.353 1.00 72.12 H new ATOM 0 HG23 VAL A 47 7.539 0.929 20.335 1.00 72.12 H new ATOM 527 N GLN A 48 8.552 0.213 15.851 1.00 34.42 N ATOM 528 CA GLN A 48 9.169 -0.246 14.612 1.00 34.03 C ATOM 529 C GLN A 48 8.784 0.658 13.446 1.00 71.45 C ATOM 530 O GLN A 48 9.570 0.862 12.521 1.00 74.44 O ATOM 531 CB GLN A 48 8.754 -1.688 14.314 1.00 14.15 C ATOM 532 CG GLN A 48 9.801 -2.475 13.543 1.00 34.44 C ATOM 533 CD GLN A 48 10.635 -3.370 14.439 1.00 1.52 C ATOM 534 OE1 GLN A 48 10.119 -3.996 15.365 1.00 74.54 O ATOM 535 NE2 GLN A 48 11.933 -3.433 14.168 1.00 25.33 N ATOM 0 H GLN A 48 7.753 -0.343 16.156 1.00 34.42 H new ATOM 0 HA GLN A 48 10.251 -0.206 14.738 1.00 34.03 H new ATOM 0 HB2 GLN A 48 8.546 -2.199 15.254 1.00 14.15 H new ATOM 0 HB3 GLN A 48 7.825 -1.680 13.744 1.00 14.15 H new ATOM 0 HG2 GLN A 48 9.307 -3.084 12.786 1.00 34.44 H new ATOM 0 HG3 GLN A 48 10.457 -1.781 13.017 1.00 34.44 H new ATOM 0 HE21 GLN A 48 12.318 -2.897 13.390 1.00 25.33 H new ATOM 0 HE22 GLN A 48 12.545 -4.017 14.737 1.00 25.33 H new ATOM 544 N ALA A 49 7.570 1.196 13.496 1.00 40.31 N ATOM 545 CA ALA A 49 7.082 2.079 12.444 1.00 11.40 C ATOM 546 C ALA A 49 7.025 3.526 12.924 1.00 35.42 C ATOM 547 O ALA A 49 6.682 4.430 12.163 1.00 54.14 O ATOM 548 CB ALA A 49 5.710 1.625 11.967 1.00 24.33 C ATOM 0 H ALA A 49 6.906 1.036 14.254 1.00 40.31 H new ATOM 0 HA ALA A 49 7.780 2.028 11.609 1.00 11.40 H new ATOM 0 HB1 ALA A 49 5.358 2.294 11.181 1.00 24.33 H new ATOM 0 HB2 ALA A 49 5.778 0.610 11.576 1.00 24.33 H new ATOM 0 HB3 ALA A 49 5.009 1.646 12.802 1.00 24.33 H new ATOM 554 N VAL A 50 7.362 3.737 14.192 1.00 13.25 N ATOM 555 CA VAL A 50 7.349 5.074 14.774 1.00 12.02 C ATOM 556 C VAL A 50 8.732 5.713 14.715 1.00 71.51 C ATOM 557 O VAL A 50 8.923 6.873 15.078 1.00 42.44 O ATOM 558 CB VAL A 50 6.872 5.044 16.238 1.00 15.43 C ATOM 559 CG1 VAL A 50 8.057 4.923 17.184 1.00 14.21 C ATOM 560 CG2 VAL A 50 6.050 6.285 16.556 1.00 62.13 C ATOM 0 H VAL A 50 7.647 2.999 14.836 1.00 13.25 H new ATOM 0 HA VAL A 50 6.652 5.669 14.184 1.00 12.02 H new ATOM 0 HB VAL A 50 6.237 4.169 16.377 1.00 15.43 H new ATOM 0 HG11 VAL A 50 7.700 4.903 18.214 1.00 14.21 H new ATOM 0 HG12 VAL A 50 8.600 4.002 16.971 1.00 14.21 H new ATOM 0 HG13 VAL A 50 8.721 5.776 17.046 1.00 14.21 H new ATOM 0 HG21 VAL A 50 5.721 6.247 17.594 1.00 62.13 H new ATOM 0 HG22 VAL A 50 6.660 7.175 16.401 1.00 62.13 H new ATOM 0 HG23 VAL A 50 5.180 6.323 15.901 1.00 62.13 H new ATOM 570 N PRO A 51 9.722 4.938 14.246 1.00 34.00 N ATOM 571 CA PRO A 51 11.105 5.407 14.127 1.00 42.22 C ATOM 572 C PRO A 51 11.270 6.452 13.028 1.00 4.05 C ATOM 573 O PRO A 51 12.153 7.306 13.099 1.00 51.34 O ATOM 574 CB PRO A 51 11.882 4.136 13.776 1.00 30.43 C ATOM 575 CG PRO A 51 10.879 3.246 13.127 1.00 70.12 C ATOM 576 CD PRO A 51 9.566 3.545 13.796 1.00 72.43 C ATOM 0 HA PRO A 51 11.449 5.896 15.039 1.00 42.22 H new ATOM 0 HB2 PRO A 51 12.713 4.353 13.104 1.00 30.43 H new ATOM 0 HB3 PRO A 51 12.305 3.672 14.667 1.00 30.43 H new ATOM 0 HG2 PRO A 51 10.823 3.437 12.055 1.00 70.12 H new ATOM 0 HG3 PRO A 51 11.150 2.197 13.250 1.00 70.12 H new ATOM 0 HD2 PRO A 51 8.729 3.437 13.106 1.00 72.43 H new ATOM 0 HD3 PRO A 51 9.378 2.871 14.632 1.00 72.43 H new ATOM 584 N GLY A 52 10.414 6.378 12.014 1.00 64.03 N ATOM 585 CA GLY A 52 10.483 7.324 10.915 1.00 33.21 C ATOM 586 C GLY A 52 9.844 8.656 11.256 1.00 22.41 C ATOM 587 O GLY A 52 10.477 9.704 11.139 1.00 64.34 O ATOM 0 H GLY A 52 9.674 5.680 11.933 1.00 64.03 H new ATOM 0 HA2 GLY A 52 11.526 7.484 10.642 1.00 33.21 H new ATOM 0 HA3 GLY A 52 9.987 6.899 10.042 1.00 33.21 H new ATOM 591 N GLY A 53 8.584 8.615 11.679 1.00 41.32 N ATOM 592 CA GLY A 53 7.880 9.835 12.030 1.00 70.25 C ATOM 593 C GLY A 53 6.616 9.567 12.823 1.00 42.14 C ATOM 594 O GLY A 53 6.237 10.358 13.687 1.00 74.10 O ATOM 0 H GLY A 53 8.039 7.760 11.785 1.00 41.32 H new ATOM 0 HA2 GLY A 53 8.541 10.478 12.612 1.00 70.25 H new ATOM 0 HA3 GLY A 53 7.626 10.379 11.120 1.00 70.25 H new ATOM 598 N THR A 54 5.960 8.449 12.528 1.00 22.21 N ATOM 599 CA THR A 54 4.730 8.080 13.218 1.00 43.15 C ATOM 600 C THR A 54 4.634 6.570 13.399 1.00 34.33 C ATOM 601 O THR A 54 5.152 5.803 12.588 1.00 31.03 O ATOM 602 CB THR A 54 3.488 8.574 12.453 1.00 52.30 C ATOM 603 OG1 THR A 54 3.816 9.738 11.686 1.00 74.04 O ATOM 604 CG2 THR A 54 2.354 8.897 13.414 1.00 11.43 C ATOM 0 H THR A 54 6.260 7.783 11.816 1.00 22.21 H new ATOM 0 HA THR A 54 4.760 8.559 14.196 1.00 43.15 H new ATOM 0 HB THR A 54 3.161 7.779 11.784 1.00 52.30 H new ATOM 0 HG1 THR A 54 3.021 10.045 11.201 1.00 74.04 H new ATOM 0 HG21 THR A 54 1.488 9.244 12.851 1.00 11.43 H new ATOM 0 HG22 THR A 54 2.087 8.002 13.976 1.00 11.43 H new ATOM 0 HG23 THR A 54 2.674 9.677 14.105 1.00 11.43 H new ATOM 612 N ALA A 55 3.966 6.149 14.469 1.00 70.44 N ATOM 613 CA ALA A 55 3.799 4.729 14.755 1.00 41.21 C ATOM 614 C ALA A 55 2.811 4.087 13.788 1.00 72.54 C ATOM 615 O ALA A 55 1.662 3.823 14.142 1.00 45.32 O ATOM 616 CB ALA A 55 3.339 4.531 16.192 1.00 41.14 C ATOM 0 H ALA A 55 3.532 6.771 15.151 1.00 70.44 H new ATOM 0 HA ALA A 55 4.765 4.241 14.624 1.00 41.21 H new ATOM 0 HB1 ALA A 55 3.218 3.466 16.392 1.00 41.14 H new ATOM 0 HB2 ALA A 55 4.082 4.946 16.872 1.00 41.14 H new ATOM 0 HB3 ALA A 55 2.386 5.039 16.342 1.00 41.14 H new ATOM 622 N GLY A 56 3.265 3.837 12.563 1.00 22.21 N ATOM 623 CA GLY A 56 2.408 3.228 11.563 1.00 35.24 C ATOM 624 C GLY A 56 3.182 2.382 10.573 1.00 62.52 C ATOM 625 O GLY A 56 3.916 2.909 9.737 1.00 34.22 O ATOM 0 H GLY A 56 4.212 4.046 12.246 1.00 22.21 H new ATOM 0 HA2 GLY A 56 1.660 2.609 12.058 1.00 35.24 H new ATOM 0 HA3 GLY A 56 1.870 4.009 11.026 1.00 35.24 H new ATOM 629 N GLU A 57 3.020 1.065 10.667 1.00 4.42 N ATOM 630 CA GLU A 57 3.713 0.145 9.773 1.00 1.11 C ATOM 631 C GLU A 57 2.770 -0.379 8.694 1.00 14.03 C ATOM 632 O GLU A 57 1.661 0.128 8.523 1.00 1.52 O ATOM 633 CB GLU A 57 4.301 -1.025 10.565 1.00 75.13 C ATOM 634 CG GLU A 57 5.725 -1.374 10.168 1.00 22.12 C ATOM 635 CD GLU A 57 6.230 -2.630 10.852 1.00 40.11 C ATOM 636 OE1 GLU A 57 5.571 -3.682 10.723 1.00 74.31 O ATOM 637 OE2 GLU A 57 7.286 -2.560 11.516 1.00 55.41 O ATOM 0 H GLU A 57 2.415 0.612 11.353 1.00 4.42 H new ATOM 0 HA GLU A 57 4.523 0.690 9.289 1.00 1.11 H new ATOM 0 HB2 GLU A 57 4.278 -0.782 11.627 1.00 75.13 H new ATOM 0 HB3 GLU A 57 3.669 -1.902 10.425 1.00 75.13 H new ATOM 0 HG2 GLU A 57 5.774 -1.508 9.087 1.00 22.12 H new ATOM 0 HG3 GLU A 57 6.382 -0.540 10.416 1.00 22.12 H new ATOM 644 N VAL A 58 3.218 -1.398 7.968 1.00 22.12 N ATOM 645 CA VAL A 58 2.415 -1.992 6.906 1.00 21.22 C ATOM 646 C VAL A 58 2.415 -3.514 7.003 1.00 15.43 C ATOM 647 O VAL A 58 3.461 -4.152 6.898 1.00 2.04 O ATOM 648 CB VAL A 58 2.930 -1.578 5.515 1.00 54.32 C ATOM 649 CG1 VAL A 58 2.798 -2.731 4.531 1.00 11.34 C ATOM 650 CG2 VAL A 58 2.182 -0.351 5.014 1.00 33.23 C ATOM 0 H VAL A 58 4.133 -1.830 8.096 1.00 22.12 H new ATOM 0 HA VAL A 58 1.398 -1.622 7.034 1.00 21.22 H new ATOM 0 HB VAL A 58 3.986 -1.323 5.599 1.00 54.32 H new ATOM 0 HG11 VAL A 58 3.167 -2.419 3.554 1.00 11.34 H new ATOM 0 HG12 VAL A 58 3.382 -3.580 4.885 1.00 11.34 H new ATOM 0 HG13 VAL A 58 1.750 -3.020 4.448 1.00 11.34 H new ATOM 0 HG21 VAL A 58 2.558 -0.072 4.030 1.00 33.23 H new ATOM 0 HG22 VAL A 58 1.118 -0.577 4.945 1.00 33.23 H new ATOM 0 HG23 VAL A 58 2.333 0.476 5.708 1.00 33.23 H new ATOM 660 N GLU A 59 1.232 -4.088 7.204 1.00 45.12 N ATOM 661 CA GLU A 59 1.096 -5.535 7.315 1.00 23.52 C ATOM 662 C GLU A 59 0.680 -6.147 5.981 1.00 74.13 C ATOM 663 O GLU A 59 0.124 -5.466 5.118 1.00 5.20 O ATOM 664 CB GLU A 59 0.072 -5.892 8.394 1.00 32.13 C ATOM 665 CG GLU A 59 -1.365 -5.617 7.984 1.00 11.31 C ATOM 666 CD GLU A 59 -2.116 -6.879 7.605 1.00 3.43 C ATOM 667 OE1 GLU A 59 -1.559 -7.694 6.841 1.00 41.12 O ATOM 668 OE2 GLU A 59 -3.260 -7.051 8.074 1.00 15.51 O ATOM 0 H GLU A 59 0.356 -3.573 7.293 1.00 45.12 H new ATOM 0 HA GLU A 59 2.066 -5.945 7.595 1.00 23.52 H new ATOM 0 HB2 GLU A 59 0.174 -6.948 8.644 1.00 32.13 H new ATOM 0 HB3 GLU A 59 0.297 -5.327 9.298 1.00 32.13 H new ATOM 0 HG2 GLU A 59 -1.885 -5.122 8.805 1.00 11.31 H new ATOM 0 HG3 GLU A 59 -1.372 -4.927 7.140 1.00 11.31 H new ATOM 675 N THR A 60 0.952 -7.438 5.817 1.00 30.13 N ATOM 676 CA THR A 60 0.608 -8.142 4.589 1.00 72.34 C ATOM 677 C THR A 60 0.016 -9.515 4.889 1.00 41.33 C ATOM 678 O THR A 60 0.715 -10.413 5.357 1.00 40.50 O ATOM 679 CB THR A 60 1.837 -8.314 3.676 1.00 21.14 C ATOM 680 OG1 THR A 60 1.534 -9.223 2.612 1.00 41.20 O ATOM 681 CG2 THR A 60 3.030 -8.831 4.467 1.00 14.21 C ATOM 0 H THR A 60 1.410 -8.017 6.521 1.00 30.13 H new ATOM 0 HA THR A 60 -0.135 -7.533 4.074 1.00 72.34 H new ATOM 0 HB THR A 60 2.092 -7.340 3.259 1.00 21.14 H new ATOM 0 HG1 THR A 60 0.668 -8.988 2.217 1.00 41.20 H new ATOM 0 HG21 THR A 60 3.886 -8.945 3.802 1.00 14.21 H new ATOM 0 HG22 THR A 60 3.277 -8.123 5.258 1.00 14.21 H new ATOM 0 HG23 THR A 60 2.783 -9.796 4.909 1.00 14.21 H new ATOM 689 N GLU A 61 -1.276 -9.670 4.615 1.00 4.22 N ATOM 690 CA GLU A 61 -1.960 -10.934 4.857 1.00 74.42 C ATOM 691 C GLU A 61 -2.640 -11.437 3.586 1.00 1.51 C ATOM 692 O GLU A 61 -2.787 -10.697 2.612 1.00 22.13 O ATOM 693 CB GLU A 61 -2.995 -10.774 5.973 1.00 71.54 C ATOM 694 CG GLU A 61 -2.844 -11.790 7.093 1.00 74.14 C ATOM 695 CD GLU A 61 -3.998 -12.772 7.149 1.00 73.33 C ATOM 696 OE1 GLU A 61 -4.597 -13.045 6.087 1.00 45.02 O ATOM 697 OE2 GLU A 61 -4.303 -13.268 8.254 1.00 53.35 O ATOM 0 H GLU A 61 -1.869 -8.937 4.226 1.00 4.22 H new ATOM 0 HA GLU A 61 -1.215 -11.668 5.165 1.00 74.42 H new ATOM 0 HB2 GLU A 61 -2.914 -9.770 6.391 1.00 71.54 H new ATOM 0 HB3 GLU A 61 -3.994 -10.862 5.546 1.00 71.54 H new ATOM 0 HG2 GLU A 61 -1.912 -12.338 6.958 1.00 74.14 H new ATOM 0 HG3 GLU A 61 -2.771 -11.266 8.046 1.00 74.14 H new ATOM 704 N THR A 62 -3.053 -12.700 3.603 1.00 61.24 N ATOM 705 CA THR A 62 -3.715 -13.303 2.453 1.00 50.13 C ATOM 706 C THR A 62 -5.110 -13.798 2.818 1.00 4.04 C ATOM 707 O THR A 62 -5.265 -14.674 3.668 1.00 60.11 O ATOM 708 CB THR A 62 -2.897 -14.479 1.886 1.00 13.02 C ATOM 709 OG1 THR A 62 -2.194 -15.141 2.943 1.00 4.54 O ATOM 710 CG2 THR A 62 -1.908 -13.995 0.837 1.00 0.51 C ATOM 0 H THR A 62 -2.941 -13.326 4.401 1.00 61.24 H new ATOM 0 HA THR A 62 -3.796 -12.526 1.692 1.00 50.13 H new ATOM 0 HB THR A 62 -3.587 -15.179 1.415 1.00 13.02 H new ATOM 0 HG1 THR A 62 -1.678 -15.888 2.575 1.00 4.54 H new ATOM 0 HG21 THR A 62 -1.342 -14.843 0.452 1.00 0.51 H new ATOM 0 HG22 THR A 62 -2.449 -13.518 0.020 1.00 0.51 H new ATOM 0 HG23 THR A 62 -1.223 -13.276 1.287 1.00 0.51 H new ATOM 718 N GLY A 63 -6.123 -13.231 2.170 1.00 21.13 N ATOM 719 CA GLY A 63 -7.492 -13.629 2.441 1.00 10.42 C ATOM 720 C GLY A 63 -8.129 -14.350 1.270 1.00 50.42 C ATOM 721 O GLY A 63 -7.463 -15.103 0.561 1.00 40.35 O ATOM 0 H GLY A 63 -6.020 -12.503 1.463 1.00 21.13 H new ATOM 0 HA2 GLY A 63 -7.512 -14.277 3.317 1.00 10.42 H new ATOM 0 HA3 GLY A 63 -8.082 -12.746 2.685 1.00 10.42 H new ATOM 725 N GLU A 64 -9.423 -14.120 1.068 1.00 43.41 N ATOM 726 CA GLU A 64 -10.150 -14.756 -0.025 1.00 5.34 C ATOM 727 C GLU A 64 -10.031 -13.937 -1.307 1.00 4.33 C ATOM 728 O GLU A 64 -10.343 -14.418 -2.395 1.00 14.12 O ATOM 729 CB GLU A 64 -11.623 -14.930 0.347 1.00 35.13 C ATOM 730 CG GLU A 64 -11.843 -15.792 1.579 1.00 65.50 C ATOM 731 CD GLU A 64 -13.239 -16.380 1.639 1.00 13.42 C ATOM 732 OE1 GLU A 64 -13.827 -16.622 0.564 1.00 13.51 O ATOM 733 OE2 GLU A 64 -13.744 -16.597 2.760 1.00 14.22 O ATOM 0 H GLU A 64 -9.989 -13.499 1.646 1.00 43.41 H new ATOM 0 HA GLU A 64 -9.708 -15.737 -0.199 1.00 5.34 H new ATOM 0 HB2 GLU A 64 -12.064 -13.948 0.518 1.00 35.13 H new ATOM 0 HB3 GLU A 64 -12.152 -15.375 -0.496 1.00 35.13 H new ATOM 0 HG2 GLU A 64 -11.112 -16.600 1.587 1.00 65.50 H new ATOM 0 HG3 GLU A 64 -11.666 -15.193 2.473 1.00 65.50 H new ATOM 740 N GLY A 65 -9.576 -12.695 -1.169 1.00 12.32 N ATOM 741 CA GLY A 65 -9.424 -11.828 -2.323 1.00 14.12 C ATOM 742 C GLY A 65 -8.071 -11.980 -2.988 1.00 71.34 C ATOM 743 O GLY A 65 -7.709 -13.070 -3.431 1.00 42.21 O ATOM 0 H GLY A 65 -9.310 -12.274 -0.279 1.00 12.32 H new ATOM 0 HA2 GLY A 65 -10.208 -12.051 -3.047 1.00 14.12 H new ATOM 0 HA3 GLY A 65 -9.560 -10.791 -2.015 1.00 14.12 H new ATOM 747 N ALA A 66 -7.322 -10.885 -3.061 1.00 14.42 N ATOM 748 CA ALA A 66 -6.002 -10.901 -3.677 1.00 25.40 C ATOM 749 C ALA A 66 -4.931 -10.440 -2.694 1.00 31.34 C ATOM 750 O ALA A 66 -4.178 -11.251 -2.156 1.00 64.55 O ATOM 751 CB ALA A 66 -5.989 -10.027 -4.922 1.00 61.11 C ATOM 0 H ALA A 66 -7.608 -9.975 -2.701 1.00 14.42 H new ATOM 0 HA ALA A 66 -5.776 -11.928 -3.965 1.00 25.40 H new ATOM 0 HB1 ALA A 66 -4.996 -10.049 -5.371 1.00 61.11 H new ATOM 0 HB2 ALA A 66 -6.720 -10.403 -5.638 1.00 61.11 H new ATOM 0 HB3 ALA A 66 -6.242 -9.002 -4.650 1.00 61.11 H new ATOM 757 N ALA A 67 -4.870 -9.133 -2.463 1.00 43.10 N ATOM 758 CA ALA A 67 -3.892 -8.565 -1.543 1.00 52.52 C ATOM 759 C ALA A 67 -4.539 -8.200 -0.211 1.00 40.02 C ATOM 760 O ALA A 67 -4.961 -7.062 -0.006 1.00 64.21 O ATOM 761 CB ALA A 67 -3.232 -7.342 -2.164 1.00 31.13 C ATOM 0 H ALA A 67 -5.486 -8.448 -2.900 1.00 43.10 H new ATOM 0 HA ALA A 67 -3.128 -9.319 -1.352 1.00 52.52 H new ATOM 0 HB1 ALA A 67 -2.504 -6.928 -1.466 1.00 31.13 H new ATOM 0 HB2 ALA A 67 -2.728 -7.630 -3.086 1.00 31.13 H new ATOM 0 HB3 ALA A 67 -3.991 -6.591 -2.384 1.00 31.13 H new ATOM 767 N ALA A 68 -4.614 -9.173 0.691 1.00 75.24 N ATOM 768 CA ALA A 68 -5.209 -8.954 2.003 1.00 1.23 C ATOM 769 C ALA A 68 -4.200 -8.337 2.967 1.00 72.34 C ATOM 770 O ALA A 68 -3.844 -8.942 3.979 1.00 52.44 O ATOM 771 CB ALA A 68 -5.746 -10.262 2.565 1.00 53.13 C ATOM 0 H ALA A 68 -4.270 -10.121 0.537 1.00 75.24 H new ATOM 0 HA ALA A 68 -6.037 -8.255 1.887 1.00 1.23 H new ATOM 0 HB1 ALA A 68 -6.187 -10.083 3.545 1.00 53.13 H new ATOM 0 HB2 ALA A 68 -6.505 -10.662 1.893 1.00 53.13 H new ATOM 0 HB3 ALA A 68 -4.931 -10.979 2.660 1.00 53.13 H new ATOM 777 N TYR A 69 -3.743 -7.132 2.645 1.00 23.43 N ATOM 778 CA TYR A 69 -2.772 -6.436 3.481 1.00 51.40 C ATOM 779 C TYR A 69 -3.417 -5.250 4.193 1.00 74.42 C ATOM 780 O TYR A 69 -4.578 -4.923 3.951 1.00 73.33 O ATOM 781 CB TYR A 69 -1.591 -5.956 2.635 1.00 12.45 C ATOM 782 CG TYR A 69 -1.264 -6.871 1.478 1.00 63.23 C ATOM 783 CD1 TYR A 69 -1.420 -8.247 1.589 1.00 33.41 C ATOM 784 CD2 TYR A 69 -0.797 -6.361 0.273 1.00 42.41 C ATOM 785 CE1 TYR A 69 -1.122 -9.088 0.534 1.00 23.03 C ATOM 786 CE2 TYR A 69 -0.497 -7.193 -0.788 1.00 32.53 C ATOM 787 CZ TYR A 69 -0.661 -8.556 -0.652 1.00 70.31 C ATOM 788 OH TYR A 69 -0.362 -9.389 -1.706 1.00 33.52 O ATOM 0 H TYR A 69 -4.029 -6.617 1.812 1.00 23.43 H new ATOM 0 HA TYR A 69 -2.411 -7.136 4.234 1.00 51.40 H new ATOM 0 HB2 TYR A 69 -1.812 -4.961 2.249 1.00 12.45 H new ATOM 0 HB3 TYR A 69 -0.712 -5.862 3.273 1.00 12.45 H new ATOM 0 HD1 TYR A 69 -1.781 -8.667 2.516 1.00 33.41 H new ATOM 0 HD2 TYR A 69 -0.666 -5.295 0.164 1.00 42.41 H new ATOM 0 HE1 TYR A 69 -1.249 -10.155 0.637 1.00 23.03 H new ATOM 0 HE2 TYR A 69 -0.136 -6.779 -1.718 1.00 32.53 H new ATOM 0 HH TYR A 69 -0.051 -8.855 -2.467 1.00 33.52 H new ATOM 798 N GLY A 70 -2.654 -4.610 5.073 1.00 1.20 N ATOM 799 CA GLY A 70 -3.167 -3.468 5.807 1.00 44.40 C ATOM 800 C GLY A 70 -2.068 -2.520 6.245 1.00 11.43 C ATOM 801 O GLY A 70 -0.905 -2.911 6.350 1.00 15.21 O ATOM 0 H GLY A 70 -1.690 -4.862 5.291 1.00 1.20 H new ATOM 0 HA2 GLY A 70 -3.880 -2.929 5.183 1.00 44.40 H new ATOM 0 HA3 GLY A 70 -3.712 -3.818 6.684 1.00 44.40 H new ATOM 805 N VAL A 71 -2.436 -1.268 6.501 1.00 43.01 N ATOM 806 CA VAL A 71 -1.473 -0.261 6.930 1.00 43.34 C ATOM 807 C VAL A 71 -1.991 0.517 8.134 1.00 43.40 C ATOM 808 O VAL A 71 -2.986 1.237 8.041 1.00 74.51 O ATOM 809 CB VAL A 71 -1.151 0.728 5.793 1.00 31.02 C ATOM 810 CG1 VAL A 71 -2.432 1.299 5.204 1.00 4.50 C ATOM 811 CG2 VAL A 71 -0.243 1.840 6.296 1.00 12.12 C ATOM 0 H VAL A 71 -3.394 -0.927 6.419 1.00 43.01 H new ATOM 0 HA VAL A 71 -0.563 -0.792 7.209 1.00 43.34 H new ATOM 0 HB VAL A 71 -0.625 0.190 5.004 1.00 31.02 H new ATOM 0 HG11 VAL A 71 -2.185 1.995 4.403 1.00 4.50 H new ATOM 0 HG12 VAL A 71 -3.042 0.488 4.805 1.00 4.50 H new ATOM 0 HG13 VAL A 71 -2.988 1.823 5.981 1.00 4.50 H new ATOM 0 HG21 VAL A 71 -0.026 2.529 5.480 1.00 12.12 H new ATOM 0 HG22 VAL A 71 -0.740 2.378 7.103 1.00 12.12 H new ATOM 0 HG23 VAL A 71 0.688 1.410 6.666 1.00 12.12 H new ATOM 821 N LEU A 72 -1.309 0.370 9.264 1.00 21.44 N ATOM 822 CA LEU A 72 -1.699 1.059 10.489 1.00 15.32 C ATOM 823 C LEU A 72 -0.725 2.187 10.813 1.00 11.14 C ATOM 824 O LEU A 72 0.491 2.017 10.722 1.00 33.22 O ATOM 825 CB LEU A 72 -1.761 0.072 11.656 1.00 13.21 C ATOM 826 CG LEU A 72 -0.767 -1.088 11.607 1.00 70.40 C ATOM 827 CD1 LEU A 72 -1.147 -2.071 10.510 1.00 34.15 C ATOM 828 CD2 LEU A 72 0.648 -0.570 11.394 1.00 53.02 C ATOM 0 H LEU A 72 -0.483 -0.221 9.358 1.00 21.44 H new ATOM 0 HA LEU A 72 -2.688 1.491 10.334 1.00 15.32 H new ATOM 0 HB2 LEU A 72 -1.599 0.624 12.582 1.00 13.21 H new ATOM 0 HB3 LEU A 72 -2.769 -0.341 11.703 1.00 13.21 H new ATOM 0 HG LEU A 72 -0.801 -1.611 12.563 1.00 70.40 H new ATOM 0 HD11 LEU A 72 -0.428 -2.890 10.490 1.00 34.15 H new ATOM 0 HD12 LEU A 72 -2.143 -2.467 10.706 1.00 34.15 H new ATOM 0 HD13 LEU A 72 -1.142 -1.561 9.547 1.00 34.15 H new ATOM 0 HD21 LEU A 72 1.342 -1.410 11.362 1.00 53.02 H new ATOM 0 HD22 LEU A 72 0.697 -0.022 10.453 1.00 53.02 H new ATOM 0 HD23 LEU A 72 0.920 0.094 12.215 1.00 53.02 H new ATOM 840 N VAL A 73 -1.267 3.339 11.194 1.00 13.54 N ATOM 841 CA VAL A 73 -0.446 4.495 11.536 1.00 71.12 C ATOM 842 C VAL A 73 -1.150 5.389 12.551 1.00 62.51 C ATOM 843 O VAL A 73 -2.274 5.838 12.326 1.00 41.33 O ATOM 844 CB VAL A 73 -0.102 5.328 10.287 1.00 60.34 C ATOM 845 CG1 VAL A 73 -1.371 5.768 9.572 1.00 4.33 C ATOM 846 CG2 VAL A 73 0.751 6.529 10.666 1.00 33.10 C ATOM 0 H VAL A 73 -2.272 3.497 11.274 1.00 13.54 H new ATOM 0 HA VAL A 73 0.476 4.110 11.973 1.00 71.12 H new ATOM 0 HB VAL A 73 0.474 4.704 9.603 1.00 60.34 H new ATOM 0 HG11 VAL A 73 -1.108 6.355 8.692 1.00 4.33 H new ATOM 0 HG12 VAL A 73 -1.939 4.890 9.265 1.00 4.33 H new ATOM 0 HG13 VAL A 73 -1.976 6.375 10.245 1.00 4.33 H new ATOM 0 HG21 VAL A 73 0.985 7.106 9.771 1.00 33.10 H new ATOM 0 HG22 VAL A 73 0.204 7.156 11.370 1.00 33.10 H new ATOM 0 HG23 VAL A 73 1.677 6.186 11.129 1.00 33.10 H new ATOM 856 N THR A 74 -0.481 5.643 13.671 1.00 4.51 N ATOM 857 CA THR A 74 -1.041 6.483 14.722 1.00 13.01 C ATOM 858 C THR A 74 0.019 6.856 15.752 1.00 34.33 C ATOM 859 O THR A 74 1.113 7.297 15.400 1.00 74.45 O ATOM 860 CB THR A 74 -2.212 5.782 15.437 1.00 24.40 C ATOM 861 OG1 THR A 74 -3.045 5.120 14.479 1.00 71.10 O ATOM 862 CG2 THR A 74 -3.038 6.782 16.231 1.00 33.20 C ATOM 0 H THR A 74 0.450 5.279 13.874 1.00 4.51 H new ATOM 0 HA THR A 74 -1.409 7.389 14.240 1.00 13.01 H new ATOM 0 HB THR A 74 -1.799 5.047 16.128 1.00 24.40 H new ATOM 0 HG1 THR A 74 -3.080 5.649 13.655 1.00 71.10 H new ATOM 0 HG21 THR A 74 -3.859 6.264 16.727 1.00 33.20 H new ATOM 0 HG22 THR A 74 -2.407 7.262 16.979 1.00 33.20 H new ATOM 0 HG23 THR A 74 -3.441 7.538 15.557 1.00 33.20 H new ATOM 870 N ARG A 75 -0.312 6.675 17.027 1.00 52.23 N ATOM 871 CA ARG A 75 0.612 6.993 18.108 1.00 0.34 C ATOM 872 C ARG A 75 1.244 5.725 18.674 1.00 64.11 C ATOM 873 O ARG A 75 0.588 4.697 18.844 1.00 11.45 O ATOM 874 CB ARG A 75 -0.113 7.754 19.220 1.00 30.23 C ATOM 875 CG ARG A 75 0.433 9.152 19.458 1.00 41.21 C ATOM 876 CD ARG A 75 -0.608 10.055 20.100 1.00 13.31 C ATOM 877 NE ARG A 75 -1.306 10.874 19.113 1.00 54.15 N ATOM 878 CZ ARG A 75 -2.123 11.872 19.431 1.00 53.14 C ATOM 879 NH1 ARG A 75 -2.343 12.173 20.703 1.00 50.41 N ATOM 880 NH2 ARG A 75 -2.722 12.571 18.475 1.00 41.31 N ATOM 0 H ARG A 75 -1.213 6.310 17.336 1.00 52.23 H new ATOM 0 HA ARG A 75 1.403 7.623 17.702 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.172 7.824 18.970 1.00 30.23 H new ATOM 0 HB3 ARG A 75 -0.042 7.183 20.146 1.00 30.23 H new ATOM 0 HG2 ARG A 75 1.313 9.096 20.099 1.00 41.21 H new ATOM 0 HG3 ARG A 75 0.756 9.584 18.511 1.00 41.21 H new ATOM 0 HD2 ARG A 75 -1.331 9.446 20.642 1.00 13.31 H new ATOM 0 HD3 ARG A 75 -0.125 10.702 20.832 1.00 13.31 H new ATOM 0 HE ARG A 75 -1.158 10.668 18.125 1.00 54.15 H new ATOM 0 HH11 ARG A 75 -1.884 11.638 21.440 1.00 50.41 H new ATOM 0 HH12 ARG A 75 -2.971 12.940 20.944 1.00 50.41 H new ATOM 0 HH21 ARG A 75 -2.555 12.342 17.495 1.00 41.31 H new ATOM 0 HH22 ARG A 75 -3.349 13.337 18.720 1.00 41.31 H new ATOM 894 N PRO A 76 2.550 5.796 18.971 1.00 3.44 N ATOM 895 CA PRO A 76 3.300 4.663 19.522 1.00 50.42 C ATOM 896 C PRO A 76 2.891 4.339 20.955 1.00 62.04 C ATOM 897 O PRO A 76 3.607 3.640 21.671 1.00 24.33 O ATOM 898 CB PRO A 76 4.753 5.143 19.476 1.00 52.40 C ATOM 899 CG PRO A 76 4.662 6.630 19.520 1.00 22.21 C ATOM 900 CD PRO A 76 3.395 6.989 18.794 1.00 45.13 C ATOM 0 HA PRO A 76 3.122 3.745 18.961 1.00 50.42 H new ATOM 0 HB2 PRO A 76 5.325 4.756 20.320 1.00 52.40 H new ATOM 0 HB3 PRO A 76 5.254 4.804 18.569 1.00 52.40 H new ATOM 0 HG2 PRO A 76 4.637 6.989 20.549 1.00 22.21 H new ATOM 0 HG3 PRO A 76 5.528 7.088 19.043 1.00 22.21 H new ATOM 0 HD2 PRO A 76 2.928 7.878 19.217 1.00 45.13 H new ATOM 0 HD3 PRO A 76 3.581 7.197 17.740 1.00 45.13 H new ATOM 908 N ASP A 77 1.736 4.851 21.365 1.00 22.35 N ATOM 909 CA ASP A 77 1.231 4.614 22.713 1.00 62.21 C ATOM 910 C ASP A 77 0.266 3.433 22.732 1.00 71.34 C ATOM 911 O ASP A 77 -0.457 3.224 23.705 1.00 25.33 O ATOM 912 CB ASP A 77 0.535 5.866 23.247 1.00 54.30 C ATOM 913 CG ASP A 77 1.473 6.760 24.033 1.00 3.13 C ATOM 914 OD1 ASP A 77 2.349 6.222 24.743 1.00 53.23 O ATOM 915 OD2 ASP A 77 1.332 7.998 23.940 1.00 70.40 O ATOM 0 H ASP A 77 1.132 5.432 20.784 1.00 22.35 H new ATOM 0 HA ASP A 77 2.079 4.377 23.356 1.00 62.21 H new ATOM 0 HB2 ASP A 77 0.116 6.429 22.413 1.00 54.30 H new ATOM 0 HB3 ASP A 77 -0.299 5.571 23.884 1.00 54.30 H new ATOM 920 N GLY A 78 0.259 2.663 21.647 1.00 12.23 N ATOM 921 CA GLY A 78 -0.622 1.513 21.559 1.00 14.53 C ATOM 922 C GLY A 78 -1.756 1.726 20.575 1.00 23.43 C ATOM 923 O GLY A 78 -2.461 0.782 20.215 1.00 1.42 O ATOM 0 H GLY A 78 0.848 2.815 20.828 1.00 12.23 H new ATOM 0 HA2 GLY A 78 -0.044 0.639 21.259 1.00 14.53 H new ATOM 0 HA3 GLY A 78 -1.035 1.299 22.545 1.00 14.53 H new ATOM 927 N THR A 79 -1.934 2.969 20.139 1.00 21.21 N ATOM 928 CA THR A 79 -2.991 3.303 19.193 1.00 33.24 C ATOM 929 C THR A 79 -2.467 3.310 17.762 1.00 23.31 C ATOM 930 O THR A 79 -1.440 3.923 17.470 1.00 23.34 O ATOM 931 CB THR A 79 -3.612 4.677 19.507 1.00 12.02 C ATOM 932 OG1 THR A 79 -4.506 5.062 18.457 1.00 41.23 O ATOM 933 CG2 THR A 79 -2.531 5.734 19.673 1.00 10.22 C ATOM 0 H THR A 79 -1.359 3.761 20.426 1.00 21.21 H new ATOM 0 HA THR A 79 -3.758 2.535 19.292 1.00 33.24 H new ATOM 0 HB THR A 79 -4.165 4.596 20.443 1.00 12.02 H new ATOM 0 HG1 THR A 79 -4.898 5.936 18.665 1.00 41.23 H new ATOM 0 HG21 THR A 79 -2.994 6.696 19.894 1.00 10.22 H new ATOM 0 HG22 THR A 79 -1.870 5.452 20.492 1.00 10.22 H new ATOM 0 HG23 THR A 79 -1.954 5.812 18.752 1.00 10.22 H new ATOM 941 N ARG A 80 -3.178 2.625 16.873 1.00 54.13 N ATOM 942 CA ARG A 80 -2.784 2.552 15.471 1.00 4.41 C ATOM 943 C ARG A 80 -4.006 2.591 14.559 1.00 13.31 C ATOM 944 O ARG A 80 -5.121 2.289 14.985 1.00 53.32 O ATOM 945 CB ARG A 80 -1.980 1.277 15.211 1.00 74.30 C ATOM 946 CG ARG A 80 -1.147 0.829 16.400 1.00 23.33 C ATOM 947 CD ARG A 80 -1.112 -0.687 16.517 1.00 32.11 C ATOM 948 NE ARG A 80 -1.311 -1.135 17.893 1.00 50.21 N ATOM 949 CZ ARG A 80 -0.465 -0.868 18.882 1.00 72.41 C ATOM 950 NH1 ARG A 80 0.631 -0.160 18.648 1.00 11.15 N ATOM 951 NH2 ARG A 80 -0.715 -1.311 20.108 1.00 54.43 N ATOM 0 H ARG A 80 -4.030 2.112 17.099 1.00 54.13 H new ATOM 0 HA ARG A 80 -2.160 3.418 15.250 1.00 4.41 H new ATOM 0 HB2 ARG A 80 -2.665 0.475 14.936 1.00 74.30 H new ATOM 0 HB3 ARG A 80 -1.322 1.441 14.358 1.00 74.30 H new ATOM 0 HG2 ARG A 80 -0.131 1.211 16.298 1.00 23.33 H new ATOM 0 HG3 ARG A 80 -1.558 1.256 17.315 1.00 23.33 H new ATOM 0 HD2 ARG A 80 -1.885 -1.118 15.880 1.00 32.11 H new ATOM 0 HD3 ARG A 80 -0.154 -1.057 16.150 1.00 32.11 H new ATOM 0 HE ARG A 80 -2.145 -1.683 18.106 1.00 50.21 H new ATOM 0 HH11 ARG A 80 0.826 0.181 17.707 1.00 11.15 H new ATOM 0 HH12 ARG A 80 1.279 0.044 19.409 1.00 11.15 H new ATOM 0 HH21 ARG A 80 -1.557 -1.857 20.291 1.00 54.43 H new ATOM 0 HH22 ARG A 80 -0.065 -1.106 20.867 1.00 54.43 H new ATOM 965 N VAL A 81 -3.789 2.966 13.302 1.00 31.23 N ATOM 966 CA VAL A 81 -4.873 3.044 12.330 1.00 65.13 C ATOM 967 C VAL A 81 -4.648 2.072 11.177 1.00 24.42 C ATOM 968 O VAL A 81 -4.183 2.461 10.106 1.00 33.22 O ATOM 969 CB VAL A 81 -5.017 4.469 11.764 1.00 52.12 C ATOM 970 CG1 VAL A 81 -6.035 4.494 10.634 1.00 13.41 C ATOM 971 CG2 VAL A 81 -5.407 5.442 12.866 1.00 51.51 C ATOM 0 H VAL A 81 -2.873 3.220 12.933 1.00 31.23 H new ATOM 0 HA VAL A 81 -5.789 2.775 12.855 1.00 65.13 H new ATOM 0 HB VAL A 81 -4.054 4.780 11.360 1.00 52.12 H new ATOM 0 HG11 VAL A 81 -6.124 5.509 10.246 1.00 13.41 H new ATOM 0 HG12 VAL A 81 -5.709 3.828 9.835 1.00 13.41 H new ATOM 0 HG13 VAL A 81 -7.003 4.163 11.009 1.00 13.41 H new ATOM 0 HG21 VAL A 81 -5.504 6.444 12.449 1.00 51.51 H new ATOM 0 HG22 VAL A 81 -6.358 5.136 13.302 1.00 51.51 H new ATOM 0 HG23 VAL A 81 -4.638 5.444 13.639 1.00 51.51 H new ATOM 981 N GLU A 82 -4.981 0.805 11.405 1.00 24.11 N ATOM 982 CA GLU A 82 -4.814 -0.223 10.385 1.00 72.43 C ATOM 983 C GLU A 82 -5.892 -0.103 9.311 1.00 64.53 C ATOM 984 O GLU A 82 -7.086 -0.169 9.603 1.00 3.52 O ATOM 985 CB GLU A 82 -4.863 -1.615 11.019 1.00 74.12 C ATOM 986 CG GLU A 82 -5.562 -2.653 10.156 1.00 14.54 C ATOM 987 CD GLU A 82 -4.914 -2.812 8.795 1.00 23.52 C ATOM 988 OE1 GLU A 82 -3.751 -2.384 8.639 1.00 51.13 O ATOM 989 OE2 GLU A 82 -5.568 -3.366 7.887 1.00 41.42 O ATOM 0 H GLU A 82 -5.368 0.467 12.286 1.00 24.11 H new ATOM 0 HA GLU A 82 -3.840 -0.079 9.916 1.00 72.43 H new ATOM 0 HB2 GLU A 82 -3.845 -1.949 11.221 1.00 74.12 H new ATOM 0 HB3 GLU A 82 -5.374 -1.550 11.980 1.00 74.12 H new ATOM 0 HG2 GLU A 82 -5.555 -3.613 10.672 1.00 14.54 H new ATOM 0 HG3 GLU A 82 -6.606 -2.368 10.026 1.00 14.54 H new ATOM 996 N VAL A 83 -5.461 0.073 8.066 1.00 63.34 N ATOM 997 CA VAL A 83 -6.387 0.201 6.947 1.00 10.40 C ATOM 998 C VAL A 83 -6.443 -1.084 6.129 1.00 10.12 C ATOM 999 O VAL A 83 -5.419 -1.724 5.888 1.00 32.42 O ATOM 1000 CB VAL A 83 -5.992 1.368 6.023 1.00 50.44 C ATOM 1001 CG1 VAL A 83 -7.166 1.775 5.145 1.00 44.05 C ATOM 1002 CG2 VAL A 83 -5.493 2.550 6.840 1.00 22.14 C ATOM 0 H VAL A 83 -4.476 0.130 7.807 1.00 63.34 H new ATOM 0 HA VAL A 83 -7.371 0.400 7.372 1.00 10.40 H new ATOM 0 HB VAL A 83 -5.181 1.036 5.374 1.00 50.44 H new ATOM 0 HG11 VAL A 83 -6.868 2.601 4.499 1.00 44.05 H new ATOM 0 HG12 VAL A 83 -7.473 0.927 4.532 1.00 44.05 H new ATOM 0 HG13 VAL A 83 -7.999 2.089 5.774 1.00 44.05 H new ATOM 0 HG21 VAL A 83 -5.218 3.365 6.170 1.00 22.14 H new ATOM 0 HG22 VAL A 83 -6.281 2.884 7.515 1.00 22.14 H new ATOM 0 HG23 VAL A 83 -4.621 2.249 7.421 1.00 22.14 H new ATOM 1012 N HIS A 84 -7.646 -1.456 5.704 1.00 71.33 N ATOM 1013 CA HIS A 84 -7.836 -2.666 4.911 1.00 51.21 C ATOM 1014 C HIS A 84 -7.635 -2.379 3.426 1.00 64.20 C ATOM 1015 O HIS A 84 -8.364 -1.584 2.832 1.00 60.12 O ATOM 1016 CB HIS A 84 -9.233 -3.241 5.146 1.00 30.03 C ATOM 1017 CG HIS A 84 -9.695 -3.129 6.567 1.00 73.25 C ATOM 1018 ND1 HIS A 84 -9.141 -3.857 7.598 1.00 61.30 N ATOM 1019 CD2 HIS A 84 -10.665 -2.367 7.125 1.00 45.14 C ATOM 1020 CE1 HIS A 84 -9.750 -3.549 8.729 1.00 73.02 C ATOM 1021 NE2 HIS A 84 -10.679 -2.646 8.469 1.00 22.31 N ATOM 0 H HIS A 84 -8.503 -0.938 5.895 1.00 71.33 H new ATOM 0 HA HIS A 84 -7.092 -3.398 5.226 1.00 51.21 H new ATOM 0 HB2 HIS A 84 -9.943 -2.725 4.500 1.00 30.03 H new ATOM 0 HB3 HIS A 84 -9.239 -4.291 4.852 1.00 30.03 H new ATOM 0 HD1 HIS A 84 -8.379 -4.529 7.503 1.00 61.30 H new ATOM 0 HD2 HIS A 84 -11.308 -1.670 6.609 1.00 45.14 H new ATOM 0 HE1 HIS A 84 -9.527 -3.964 9.701 1.00 73.02 H new ATOM 1029 N LEU A 85 -6.641 -3.031 2.832 1.00 2.13 N ATOM 1030 CA LEU A 85 -6.343 -2.846 1.416 1.00 4.33 C ATOM 1031 C LEU A 85 -6.267 -4.188 0.696 1.00 65.02 C ATOM 1032 O LEU A 85 -5.296 -4.931 0.847 1.00 53.33 O ATOM 1033 CB LEU A 85 -5.025 -2.088 1.247 1.00 4.14 C ATOM 1034 CG LEU A 85 -4.085 -2.099 2.454 1.00 42.45 C ATOM 1035 CD1 LEU A 85 -2.634 -2.068 2.000 1.00 44.52 C ATOM 1036 CD2 LEU A 85 -4.383 -0.923 3.373 1.00 74.32 C ATOM 0 H LEU A 85 -6.028 -3.692 3.309 1.00 2.13 H new ATOM 0 HA LEU A 85 -7.150 -2.262 0.973 1.00 4.33 H new ATOM 0 HB2 LEU A 85 -4.493 -2.509 0.394 1.00 4.14 H new ATOM 0 HB3 LEU A 85 -5.254 -1.051 1.000 1.00 4.14 H new ATOM 0 HG LEU A 85 -4.251 -3.021 3.011 1.00 42.45 H new ATOM 0 HD11 LEU A 85 -1.980 -2.076 2.872 1.00 44.52 H new ATOM 0 HD12 LEU A 85 -2.427 -2.942 1.383 1.00 44.52 H new ATOM 0 HD13 LEU A 85 -2.454 -1.163 1.420 1.00 44.52 H new ATOM 0 HD21 LEU A 85 -3.705 -0.947 4.226 1.00 74.32 H new ATOM 0 HD22 LEU A 85 -4.246 0.010 2.826 1.00 74.32 H new ATOM 0 HD23 LEU A 85 -5.412 -0.989 3.726 1.00 74.32 H new ATOM 1048 N ASP A 86 -7.295 -4.491 -0.089 1.00 23.44 N ATOM 1049 CA ASP A 86 -7.343 -5.743 -0.836 1.00 12.13 C ATOM 1050 C ASP A 86 -7.903 -5.518 -2.237 1.00 2.10 C ATOM 1051 O ASP A 86 -8.934 -4.867 -2.407 1.00 71.41 O ATOM 1052 CB ASP A 86 -8.195 -6.773 -0.092 1.00 51.22 C ATOM 1053 CG ASP A 86 -7.695 -8.190 -0.291 1.00 61.13 C ATOM 1054 OD1 ASP A 86 -7.220 -8.501 -1.404 1.00 23.12 O ATOM 1055 OD2 ASP A 86 -7.778 -8.988 0.666 1.00 42.15 O ATOM 0 H ASP A 86 -8.106 -3.887 -0.225 1.00 23.44 H new ATOM 0 HA ASP A 86 -6.325 -6.123 -0.927 1.00 12.13 H new ATOM 0 HB2 ASP A 86 -8.197 -6.538 0.972 1.00 51.22 H new ATOM 0 HB3 ASP A 86 -9.227 -6.703 -0.436 1.00 51.22 H new ATOM 1060 N ARG A 87 -7.215 -6.059 -3.237 1.00 71.22 N ATOM 1061 CA ARG A 87 -7.642 -5.915 -4.624 1.00 32.43 C ATOM 1062 C ARG A 87 -9.019 -6.537 -4.836 1.00 33.53 C ATOM 1063 O ARG A 87 -9.513 -6.607 -5.961 1.00 74.22 O ATOM 1064 CB ARG A 87 -6.626 -6.568 -5.563 1.00 10.12 C ATOM 1065 CG ARG A 87 -6.767 -6.131 -7.012 1.00 15.33 C ATOM 1066 CD ARG A 87 -7.318 -7.251 -7.880 1.00 40.13 C ATOM 1067 NE ARG A 87 -7.042 -7.031 -9.297 1.00 44.14 N ATOM 1068 CZ ARG A 87 -7.119 -7.985 -10.218 1.00 70.31 C ATOM 1069 NH1 ARG A 87 -7.463 -9.218 -9.872 1.00 70.24 N ATOM 1070 NH2 ARG A 87 -6.853 -7.707 -11.488 1.00 25.11 N ATOM 0 H ARG A 87 -6.360 -6.601 -3.113 1.00 71.22 H new ATOM 0 HA ARG A 87 -7.704 -4.851 -4.850 1.00 32.43 H new ATOM 0 HB2 ARG A 87 -5.620 -6.331 -5.217 1.00 10.12 H new ATOM 0 HB3 ARG A 87 -6.736 -7.651 -5.507 1.00 10.12 H new ATOM 0 HG2 ARG A 87 -7.428 -5.266 -7.070 1.00 15.33 H new ATOM 0 HG3 ARG A 87 -5.796 -5.817 -7.395 1.00 15.33 H new ATOM 0 HD2 ARG A 87 -6.881 -8.200 -7.568 1.00 40.13 H new ATOM 0 HD3 ARG A 87 -8.394 -7.331 -7.728 1.00 40.13 H new ATOM 0 HE ARG A 87 -6.775 -6.093 -9.596 1.00 44.14 H new ATOM 0 HH11 ARG A 87 -7.669 -9.435 -8.897 1.00 70.24 H new ATOM 0 HH12 ARG A 87 -7.522 -9.949 -10.581 1.00 70.24 H new ATOM 0 HH21 ARG A 87 -6.589 -6.760 -11.758 1.00 25.11 H new ATOM 0 HH22 ARG A 87 -6.913 -8.441 -12.194 1.00 25.11 H new ATOM 1084 N ASP A 88 -9.633 -6.988 -3.747 1.00 61.21 N ATOM 1085 CA ASP A 88 -10.953 -7.604 -3.813 1.00 71.12 C ATOM 1086 C ASP A 88 -12.011 -6.580 -4.211 1.00 53.21 C ATOM 1087 O ASP A 88 -13.183 -6.916 -4.380 1.00 75.32 O ATOM 1088 CB ASP A 88 -11.314 -8.232 -2.466 1.00 75.13 C ATOM 1089 CG ASP A 88 -12.320 -9.358 -2.604 1.00 30.33 C ATOM 1090 OD1 ASP A 88 -12.987 -9.432 -3.657 1.00 31.34 O ATOM 1091 OD2 ASP A 88 -12.441 -10.165 -1.658 1.00 64.30 O ATOM 0 H ASP A 88 -9.237 -6.938 -2.808 1.00 61.21 H new ATOM 0 HA ASP A 88 -10.925 -8.385 -4.573 1.00 71.12 H new ATOM 0 HB2 ASP A 88 -10.409 -8.613 -1.992 1.00 75.13 H new ATOM 0 HB3 ASP A 88 -11.720 -7.464 -1.808 1.00 75.13 H new ATOM 1096 N PHE A 89 -11.590 -5.328 -4.358 1.00 60.11 N ATOM 1097 CA PHE A 89 -12.502 -4.254 -4.734 1.00 44.31 C ATOM 1098 C PHE A 89 -13.504 -3.976 -3.618 1.00 10.52 C ATOM 1099 O PHE A 89 -14.492 -3.268 -3.818 1.00 25.11 O ATOM 1100 CB PHE A 89 -13.243 -4.613 -6.023 1.00 74.31 C ATOM 1101 CG PHE A 89 -12.339 -5.102 -7.119 1.00 14.34 C ATOM 1102 CD1 PHE A 89 -11.751 -4.208 -7.999 1.00 71.23 C ATOM 1103 CD2 PHE A 89 -12.077 -6.454 -7.268 1.00 35.04 C ATOM 1104 CE1 PHE A 89 -10.920 -4.655 -9.009 1.00 24.23 C ATOM 1105 CE2 PHE A 89 -11.246 -6.907 -8.275 1.00 13.11 C ATOM 1106 CZ PHE A 89 -10.666 -6.006 -9.146 1.00 1.01 C ATOM 0 H PHE A 89 -10.623 -5.032 -4.222 1.00 60.11 H new ATOM 0 HA PHE A 89 -11.913 -3.353 -4.902 1.00 44.31 H new ATOM 0 HB2 PHE A 89 -13.984 -5.382 -5.804 1.00 74.31 H new ATOM 0 HB3 PHE A 89 -13.787 -3.737 -6.376 1.00 74.31 H new ATOM 0 HD1 PHE A 89 -11.944 -3.151 -7.895 1.00 71.23 H new ATOM 0 HD2 PHE A 89 -12.528 -7.163 -6.589 1.00 35.04 H new ATOM 0 HE1 PHE A 89 -10.470 -3.949 -9.691 1.00 24.23 H new ATOM 0 HE2 PHE A 89 -11.051 -7.964 -8.381 1.00 13.11 H new ATOM 0 HZ PHE A 89 -10.015 -6.357 -9.933 1.00 1.01 H new ATOM 1116 N ARG A 90 -13.243 -4.538 -2.442 1.00 44.23 N ATOM 1117 CA ARG A 90 -14.122 -4.352 -1.294 1.00 60.43 C ATOM 1118 C ARG A 90 -13.313 -4.104 -0.024 1.00 52.25 C ATOM 1119 O ARG A 90 -13.873 -3.962 1.063 1.00 62.11 O ATOM 1120 CB ARG A 90 -15.019 -5.578 -1.109 1.00 1.32 C ATOM 1121 CG ARG A 90 -16.241 -5.580 -2.012 1.00 73.11 C ATOM 1122 CD ARG A 90 -17.146 -4.391 -1.729 1.00 4.21 C ATOM 1123 NE ARG A 90 -18.548 -4.693 -2.001 1.00 53.43 N ATOM 1124 CZ ARG A 90 -19.558 -3.945 -1.571 1.00 10.42 C ATOM 1125 NH1 ARG A 90 -19.321 -2.856 -0.852 1.00 35.13 N ATOM 1126 NH2 ARG A 90 -20.808 -4.285 -1.860 1.00 4.32 N ATOM 0 H ARG A 90 -12.430 -5.126 -2.259 1.00 44.23 H new ATOM 0 HA ARG A 90 -14.746 -3.478 -1.483 1.00 60.43 H new ATOM 0 HB2 ARG A 90 -14.434 -6.478 -1.301 1.00 1.32 H new ATOM 0 HB3 ARG A 90 -15.345 -5.626 -0.070 1.00 1.32 H new ATOM 0 HG2 ARG A 90 -15.924 -5.557 -3.055 1.00 73.11 H new ATOM 0 HG3 ARG A 90 -16.799 -6.505 -1.869 1.00 73.11 H new ATOM 0 HD2 ARG A 90 -17.035 -4.091 -0.687 1.00 4.21 H new ATOM 0 HD3 ARG A 90 -16.833 -3.544 -2.339 1.00 4.21 H new ATOM 0 HE ARG A 90 -18.764 -5.524 -2.552 1.00 53.43 H new ATOM 0 HH11 ARG A 90 -18.362 -2.591 -0.628 1.00 35.13 H new ATOM 0 HH12 ARG A 90 -20.098 -2.283 -0.523 1.00 35.13 H new ATOM 0 HH21 ARG A 90 -20.994 -5.122 -2.413 1.00 4.32 H new ATOM 0 HH22 ARG A 90 -21.583 -3.710 -1.529 1.00 4.32 H new ATOM 1140 N VAL A 91 -11.993 -4.053 -0.170 1.00 41.34 N ATOM 1141 CA VAL A 91 -11.107 -3.821 0.964 1.00 2.20 C ATOM 1142 C VAL A 91 -10.343 -2.511 0.806 1.00 63.22 C ATOM 1143 O VAL A 91 -9.134 -2.509 0.569 1.00 22.50 O ATOM 1144 CB VAL A 91 -10.099 -4.973 1.134 1.00 60.23 C ATOM 1145 CG1 VAL A 91 -9.197 -4.721 2.332 1.00 24.50 C ATOM 1146 CG2 VAL A 91 -10.827 -6.301 1.274 1.00 35.20 C ATOM 0 H VAL A 91 -11.514 -4.169 -1.063 1.00 41.34 H new ATOM 0 HA VAL A 91 -11.737 -3.766 1.852 1.00 2.20 H new ATOM 0 HB VAL A 91 -9.473 -5.020 0.243 1.00 60.23 H new ATOM 0 HG11 VAL A 91 -8.492 -5.545 2.436 1.00 24.50 H new ATOM 0 HG12 VAL A 91 -8.649 -3.791 2.185 1.00 24.50 H new ATOM 0 HG13 VAL A 91 -9.803 -4.646 3.235 1.00 24.50 H new ATOM 0 HG21 VAL A 91 -10.100 -7.104 1.393 1.00 35.20 H new ATOM 0 HG22 VAL A 91 -11.478 -6.269 2.148 1.00 35.20 H new ATOM 0 HG23 VAL A 91 -11.426 -6.483 0.382 1.00 35.20 H new ATOM 1156 N LEU A 92 -11.055 -1.398 0.938 1.00 2.44 N ATOM 1157 CA LEU A 92 -10.444 -0.079 0.811 1.00 62.02 C ATOM 1158 C LEU A 92 -10.791 0.800 2.008 1.00 1.10 C ATOM 1159 O LEU A 92 -10.565 2.010 1.988 1.00 14.23 O ATOM 1160 CB LEU A 92 -10.905 0.595 -0.482 1.00 41.54 C ATOM 1161 CG LEU A 92 -11.126 -0.329 -1.680 1.00 34.43 C ATOM 1162 CD1 LEU A 92 -12.604 -0.402 -2.032 1.00 41.44 C ATOM 1163 CD2 LEU A 92 -10.313 0.143 -2.876 1.00 71.11 C ATOM 0 H LEU A 92 -12.056 -1.382 1.133 1.00 2.44 H new ATOM 0 HA LEU A 92 -9.362 -0.208 0.781 1.00 62.02 H new ATOM 0 HB2 LEU A 92 -11.836 1.124 -0.280 1.00 41.54 H new ATOM 0 HB3 LEU A 92 -10.166 1.346 -0.760 1.00 41.54 H new ATOM 0 HG LEU A 92 -10.788 -1.329 -1.410 1.00 34.43 H new ATOM 0 HD11 LEU A 92 -12.742 -1.064 -2.887 1.00 41.44 H new ATOM 0 HD12 LEU A 92 -13.162 -0.789 -1.180 1.00 41.44 H new ATOM 0 HD13 LEU A 92 -12.968 0.594 -2.282 1.00 41.44 H new ATOM 0 HD21 LEU A 92 -10.483 -0.527 -3.719 1.00 71.11 H new ATOM 0 HD22 LEU A 92 -10.619 1.153 -3.148 1.00 71.11 H new ATOM 0 HD23 LEU A 92 -9.254 0.141 -2.619 1.00 71.11 H new ATOM 1175 N ASP A 93 -11.338 0.183 3.049 1.00 14.13 N ATOM 1176 CA ASP A 93 -11.714 0.909 4.257 1.00 23.33 C ATOM 1177 C ASP A 93 -10.582 0.885 5.280 1.00 65.55 C ATOM 1178 O ASP A 93 -9.516 0.320 5.029 1.00 2.33 O ATOM 1179 CB ASP A 93 -12.981 0.307 4.867 1.00 63.42 C ATOM 1180 CG ASP A 93 -13.863 1.353 5.520 1.00 63.35 C ATOM 1181 OD1 ASP A 93 -13.418 2.513 5.637 1.00 10.51 O ATOM 1182 OD2 ASP A 93 -14.997 1.010 5.914 1.00 55.44 O ATOM 0 H ASP A 93 -11.531 -0.818 3.081 1.00 14.13 H new ATOM 0 HA ASP A 93 -11.910 1.945 3.982 1.00 23.33 H new ATOM 0 HB2 ASP A 93 -13.546 -0.207 4.089 1.00 63.42 H new ATOM 0 HB3 ASP A 93 -12.703 -0.443 5.607 1.00 63.42 H new ATOM 1187 N THR A 94 -10.819 1.502 6.433 1.00 61.31 N ATOM 1188 CA THR A 94 -9.819 1.553 7.492 1.00 13.12 C ATOM 1189 C THR A 94 -10.374 0.999 8.799 1.00 31.42 C ATOM 1190 O THR A 94 -11.581 0.804 8.938 1.00 12.43 O ATOM 1191 CB THR A 94 -9.324 2.992 7.728 1.00 42.44 C ATOM 1192 OG1 THR A 94 -8.205 2.985 8.622 1.00 54.52 O ATOM 1193 CG2 THR A 94 -10.434 3.860 8.302 1.00 23.43 C ATOM 0 H THR A 94 -11.695 1.974 6.657 1.00 61.31 H new ATOM 0 HA THR A 94 -8.981 0.937 7.165 1.00 13.12 H new ATOM 0 HB THR A 94 -9.019 3.409 6.768 1.00 42.44 H new ATOM 0 HG1 THR A 94 -7.895 3.904 8.765 1.00 54.52 H new ATOM 0 HG21 THR A 94 -10.060 4.872 8.460 1.00 23.43 H new ATOM 0 HG22 THR A 94 -11.272 3.887 7.605 1.00 23.43 H new ATOM 0 HG23 THR A 94 -10.767 3.444 9.253 1.00 23.43 H new ATOM 1201 N GLU A 95 -9.485 0.746 9.755 1.00 42.53 N ATOM 1202 CA GLU A 95 -9.888 0.214 11.051 1.00 64.10 C ATOM 1203 C GLU A 95 -8.997 0.760 12.164 1.00 75.42 C ATOM 1204 O GLU A 95 -7.774 0.620 12.140 1.00 55.13 O ATOM 1205 CB GLU A 95 -9.829 -1.315 11.040 1.00 71.14 C ATOM 1206 CG GLU A 95 -9.559 -1.924 12.405 1.00 20.02 C ATOM 1207 CD GLU A 95 -10.632 -1.581 13.420 1.00 54.43 C ATOM 1208 OE1 GLU A 95 -11.826 -1.608 13.054 1.00 61.31 O ATOM 1209 OE2 GLU A 95 -10.278 -1.284 14.580 1.00 30.41 O ATOM 0 H GLU A 95 -8.482 0.901 9.656 1.00 42.53 H new ATOM 0 HA GLU A 95 -10.914 0.530 11.242 1.00 64.10 H new ATOM 0 HB2 GLU A 95 -10.773 -1.704 10.659 1.00 71.14 H new ATOM 0 HB3 GLU A 95 -9.050 -1.635 10.348 1.00 71.14 H new ATOM 0 HG2 GLU A 95 -9.489 -3.007 12.308 1.00 20.02 H new ATOM 0 HG3 GLU A 95 -8.594 -1.574 12.770 1.00 20.02 H new ATOM 1216 N PRO A 96 -9.625 1.397 13.163 1.00 4.25 N ATOM 1217 CA PRO A 96 -8.910 1.977 14.304 1.00 4.13 C ATOM 1218 C PRO A 96 -8.321 0.911 15.222 1.00 12.13 C ATOM 1219 O PRO A 96 -9.010 0.378 16.091 1.00 13.14 O ATOM 1220 CB PRO A 96 -9.994 2.773 15.035 1.00 22.11 C ATOM 1221 CG PRO A 96 -11.271 2.104 14.661 1.00 15.13 C ATOM 1222 CD PRO A 96 -11.080 1.601 13.257 1.00 20.44 C ATOM 0 HA PRO A 96 -8.059 2.581 13.988 1.00 4.13 H new ATOM 0 HB2 PRO A 96 -9.839 2.755 16.114 1.00 22.11 H new ATOM 0 HB3 PRO A 96 -9.991 3.819 14.730 1.00 22.11 H new ATOM 0 HG2 PRO A 96 -11.496 1.283 15.342 1.00 15.13 H new ATOM 0 HG3 PRO A 96 -12.107 2.801 14.715 1.00 15.13 H new ATOM 0 HD2 PRO A 96 -11.628 0.675 13.084 1.00 20.44 H new ATOM 0 HD3 PRO A 96 -11.433 2.322 12.520 1.00 20.44 H new ATOM 1230 N ALA A 97 -7.043 0.605 15.024 1.00 52.54 N ATOM 1231 CA ALA A 97 -6.362 -0.395 15.835 1.00 22.15 C ATOM 1232 C ALA A 97 -6.282 0.043 17.294 1.00 42.11 C ATOM 1233 O ALA A 97 -5.572 0.992 17.629 1.00 71.41 O ATOM 1234 CB ALA A 97 -4.969 -0.662 15.285 1.00 4.33 C ATOM 0 H ALA A 97 -6.458 1.036 14.308 1.00 52.54 H new ATOM 0 HA ALA A 97 -6.941 -1.318 15.791 1.00 22.15 H new ATOM 0 HB1 ALA A 97 -4.472 -1.411 15.901 1.00 4.33 H new ATOM 0 HB2 ALA A 97 -5.046 -1.027 14.261 1.00 4.33 H new ATOM 0 HB3 ALA A 97 -4.389 0.261 15.298 1.00 4.33 H new ATOM 1240 N ASP A 98 -7.014 -0.653 18.157 1.00 51.43 N ATOM 1241 CA ASP A 98 -7.026 -0.335 19.580 1.00 24.20 C ATOM 1242 C ASP A 98 -5.919 -1.086 20.313 1.00 23.42 C ATOM 1243 O ASP A 98 -5.883 -1.116 21.543 1.00 53.44 O ATOM 1244 CB ASP A 98 -8.385 -0.681 20.190 1.00 24.25 C ATOM 1245 CG ASP A 98 -9.409 0.418 19.984 1.00 25.33 C ATOM 1246 OD1 ASP A 98 -9.165 1.305 19.140 1.00 50.31 O ATOM 1247 OD2 ASP A 98 -10.454 0.390 20.667 1.00 62.33 O ATOM 0 H ASP A 98 -7.607 -1.441 17.896 1.00 51.43 H new ATOM 0 HA ASP A 98 -6.849 0.735 19.690 1.00 24.20 H new ATOM 0 HB2 ASP A 98 -8.754 -1.606 19.746 1.00 24.25 H new ATOM 0 HB3 ASP A 98 -8.264 -0.866 21.257 1.00 24.25 H new ATOM 1252 N GLY A 99 -5.016 -1.694 19.549 1.00 31.20 N ATOM 1253 CA GLY A 99 -3.921 -2.438 20.143 1.00 31.44 C ATOM 1254 C GLY A 99 -4.327 -3.841 20.549 1.00 24.43 C ATOM 1255 O GLY A 99 -3.478 -4.720 20.702 1.00 31.34 O ATOM 0 H GLY A 99 -5.024 -1.684 18.529 1.00 31.20 H new ATOM 0 HA2 GLY A 99 -3.096 -2.493 19.433 1.00 31.44 H new ATOM 0 HA3 GLY A 99 -3.554 -1.902 21.018 1.00 31.44 H new ATOM 1259 N ASP A 100 -5.626 -4.052 20.726 1.00 73.24 N ATOM 1260 CA ASP A 100 -6.143 -5.359 21.117 1.00 2.51 C ATOM 1261 C ASP A 100 -6.646 -6.131 19.901 1.00 0.53 C ATOM 1262 O ASP A 100 -6.466 -7.344 19.805 1.00 4.34 O ATOM 1263 CB ASP A 100 -7.270 -5.200 22.138 1.00 13.33 C ATOM 1264 CG ASP A 100 -6.753 -4.869 23.525 1.00 54.55 C ATOM 1265 OD1 ASP A 100 -5.540 -5.043 23.762 1.00 11.11 O ATOM 1266 OD2 ASP A 100 -7.562 -4.436 24.372 1.00 14.21 O ATOM 0 H ASP A 100 -6.341 -3.335 20.605 1.00 73.24 H new ATOM 0 HA ASP A 100 -5.329 -5.924 21.571 1.00 2.51 H new ATOM 0 HB2 ASP A 100 -7.947 -4.412 21.808 1.00 13.33 H new ATOM 0 HB3 ASP A 100 -7.851 -6.121 22.180 1.00 13.33 H new ATOM 1271 N GLY A 101 -7.279 -5.418 18.974 1.00 14.14 N ATOM 1272 CA GLY A 101 -7.800 -6.053 17.778 1.00 50.11 C ATOM 1273 C GLY A 101 -9.150 -6.703 18.007 1.00 53.40 C ATOM 1274 O GLY A 101 -9.524 -7.639 17.303 1.00 62.44 O ATOM 0 H GLY A 101 -7.440 -4.412 19.030 1.00 14.14 H new ATOM 0 HA2 GLY A 101 -7.888 -5.310 16.985 1.00 50.11 H new ATOM 0 HA3 GLY A 101 -7.092 -6.806 17.432 1.00 50.11 H new ATOM 1278 N GLY A 102 -9.885 -6.205 18.997 1.00 4.34 N ATOM 1279 CA GLY A 102 -11.192 -6.756 19.301 1.00 31.31 C ATOM 1280 C GLY A 102 -11.139 -8.241 19.603 1.00 12.33 C ATOM 1281 O GLY A 102 -12.037 -8.782 20.249 1.00 4.31 O ATOM 0 H GLY A 102 -9.598 -5.429 19.594 1.00 4.34 H new ATOM 0 HA2 GLY A 102 -11.615 -6.229 20.156 1.00 31.31 H new ATOM 0 HA3 GLY A 102 -11.861 -6.583 18.458 1.00 31.31 H new