USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 GLN : amide:sc= -4.14! C(o=-11!,f=-16!) USER MOD Set 1.2: A 26 MET CE :methyl -142:sc= -6.89! (180deg=-7.9!) USER MOD Single : A 12 TYR OH : rot -117:sc= -1.01 USER MOD Single : A 16 THR OG1 : rot 44:sc= 0.718 USER MOD Single : A 17 THR OG1 : rot -157:sc= 1.27 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.345 F(o=-1.2,f=-0.35) USER MOD Single : A 21 TYR OH : rot -136:sc= 1.38 USER MOD Single : A 35 THR OG1 : rot 148:sc= -2.9 USER MOD Single : A 48 GLN : amide:sc= -0.691 K(o=-0.69,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot 52:sc= 0.469 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.965 USER MOD Single : A 69 TYR OH : rot 114:sc= -0.313 USER MOD Single : A 74 THR OG1 : rot -45:sc= -7.54! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 84 HIS : no HE2:sc= -0.857 K(o=-0.86,f=-3!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 1.557 -1.429 0.423 1.00 43.21 N ATOM 2 CA ASP A 11 2.493 -1.768 -0.643 1.00 73.41 C ATOM 3 C ASP A 11 2.121 -3.100 -1.288 1.00 44.01 C ATOM 4 O ASP A 11 2.318 -3.297 -2.488 1.00 3.45 O ATOM 5 CB ASP A 11 3.920 -1.832 -0.097 1.00 70.50 C ATOM 6 CG ASP A 11 4.923 -2.264 -1.148 1.00 63.24 C ATOM 7 OD1 ASP A 11 5.101 -3.487 -1.333 1.00 52.42 O ATOM 8 OD2 ASP A 11 5.530 -1.380 -1.787 1.00 43.42 O ATOM 0 HA ASP A 11 2.439 -0.989 -1.403 1.00 73.41 H new ATOM 0 HB2 ASP A 11 4.202 -0.853 0.290 1.00 70.50 H new ATOM 0 HB3 ASP A 11 3.954 -2.528 0.741 1.00 70.50 H new ATOM 13 N TYR A 12 1.585 -4.011 -0.485 1.00 34.35 N ATOM 14 CA TYR A 12 1.189 -5.326 -0.976 1.00 40.21 C ATOM 15 C TYR A 12 -0.089 -5.236 -1.804 1.00 53.21 C ATOM 16 O TYR A 12 -0.345 -6.078 -2.665 1.00 34.03 O ATOM 17 CB TYR A 12 0.986 -6.291 0.193 1.00 13.32 C ATOM 18 CG TYR A 12 2.146 -6.321 1.162 1.00 10.12 C ATOM 19 CD1 TYR A 12 3.331 -6.970 0.837 1.00 32.24 C ATOM 20 CD2 TYR A 12 2.057 -5.701 2.403 1.00 64.35 C ATOM 21 CE1 TYR A 12 4.393 -7.001 1.720 1.00 64.03 C ATOM 22 CE2 TYR A 12 3.115 -5.726 3.290 1.00 3.24 C ATOM 23 CZ TYR A 12 4.281 -6.377 2.945 1.00 70.14 C ATOM 24 OH TYR A 12 5.337 -6.405 3.827 1.00 54.10 O ATOM 0 H TYR A 12 1.414 -3.864 0.510 1.00 34.35 H new ATOM 0 HA TYR A 12 1.988 -5.703 -1.614 1.00 40.21 H new ATOM 0 HB2 TYR A 12 0.081 -6.011 0.732 1.00 13.32 H new ATOM 0 HB3 TYR A 12 0.825 -7.295 -0.199 1.00 13.32 H new ATOM 0 HD1 TYR A 12 3.423 -7.458 -0.122 1.00 32.24 H new ATOM 0 HD2 TYR A 12 1.145 -5.191 2.678 1.00 64.35 H new ATOM 0 HE1 TYR A 12 5.306 -7.511 1.452 1.00 64.03 H new ATOM 0 HE2 TYR A 12 3.030 -5.238 4.250 1.00 3.24 H new ATOM 0 HH TYR A 12 5.071 -6.883 4.640 1.00 54.10 H new ATOM 34 N ASP A 13 -0.888 -4.208 -1.537 1.00 64.05 N ATOM 35 CA ASP A 13 -2.139 -4.005 -2.258 1.00 51.00 C ATOM 36 C ASP A 13 -1.877 -3.734 -3.736 1.00 52.42 C ATOM 37 O ASP A 13 -0.878 -4.188 -4.293 1.00 64.41 O ATOM 38 CB ASP A 13 -2.923 -2.844 -1.645 1.00 1.34 C ATOM 39 CG ASP A 13 -2.270 -1.501 -1.908 1.00 23.22 C ATOM 40 OD1 ASP A 13 -1.024 -1.450 -1.975 1.00 65.44 O ATOM 41 OD2 ASP A 13 -3.005 -0.501 -2.047 1.00 64.51 O ATOM 0 H ASP A 13 -0.691 -3.503 -0.827 1.00 64.05 H new ATOM 0 HA ASP A 13 -2.730 -4.917 -2.174 1.00 51.00 H new ATOM 0 HB2 ASP A 13 -3.935 -2.838 -2.051 1.00 1.34 H new ATOM 0 HB3 ASP A 13 -3.012 -2.997 -0.569 1.00 1.34 H new ATOM 46 N ILE A 14 -2.782 -2.991 -4.365 1.00 62.14 N ATOM 47 CA ILE A 14 -2.648 -2.660 -5.779 1.00 11.35 C ATOM 48 C ILE A 14 -2.148 -1.231 -5.963 1.00 64.11 C ATOM 49 O ILE A 14 -2.133 -0.427 -5.031 1.00 50.32 O ATOM 50 CB ILE A 14 -3.986 -2.823 -6.524 1.00 63.52 C ATOM 51 CG1 ILE A 14 -5.153 -2.788 -5.536 1.00 12.11 C ATOM 52 CG2 ILE A 14 -3.995 -4.122 -7.317 1.00 22.24 C ATOM 53 CD1 ILE A 14 -6.508 -2.704 -6.204 1.00 2.42 C ATOM 0 H ILE A 14 -3.615 -2.607 -3.919 1.00 62.14 H new ATOM 0 HA ILE A 14 -1.920 -3.355 -6.199 1.00 11.35 H new ATOM 0 HB ILE A 14 -4.100 -1.993 -7.221 1.00 63.52 H new ATOM 0 HG12 ILE A 14 -5.119 -3.682 -4.914 1.00 12.11 H new ATOM 0 HG13 ILE A 14 -5.031 -1.932 -4.872 1.00 12.11 H new ATOM 0 HG21 ILE A 14 -4.947 -4.224 -7.838 1.00 22.24 H new ATOM 0 HG22 ILE A 14 -3.183 -4.110 -8.044 1.00 22.24 H new ATOM 0 HG23 ILE A 14 -3.862 -4.964 -6.638 1.00 22.24 H new ATOM 0 HD11 ILE A 14 -7.288 -2.683 -5.443 1.00 2.42 H new ATOM 0 HD12 ILE A 14 -6.562 -1.796 -6.804 1.00 2.42 H new ATOM 0 HD13 ILE A 14 -6.651 -3.573 -6.847 1.00 2.42 H new ATOM 65 N PRO A 15 -1.729 -0.906 -7.195 1.00 43.50 N ATOM 66 CA PRO A 15 -1.222 0.428 -7.532 1.00 41.11 C ATOM 67 C PRO A 15 -2.320 1.486 -7.520 1.00 33.32 C ATOM 68 O PRO A 15 -2.059 2.670 -7.735 1.00 74.13 O ATOM 69 CB PRO A 15 -0.667 0.249 -8.948 1.00 13.44 C ATOM 70 CG PRO A 15 -1.431 -0.898 -9.512 1.00 32.43 C ATOM 71 CD PRO A 15 -1.718 -1.814 -8.354 1.00 21.12 C ATOM 0 HA PRO A 15 -0.483 0.777 -6.811 1.00 41.11 H new ATOM 0 HB2 PRO A 15 -0.807 1.150 -9.545 1.00 13.44 H new ATOM 0 HB3 PRO A 15 0.403 0.042 -8.931 1.00 13.44 H new ATOM 0 HG2 PRO A 15 -2.355 -0.559 -9.980 1.00 32.43 H new ATOM 0 HG3 PRO A 15 -0.854 -1.411 -10.281 1.00 32.43 H new ATOM 0 HD2 PRO A 15 -2.673 -2.325 -8.473 1.00 21.12 H new ATOM 0 HD3 PRO A 15 -0.954 -2.585 -8.253 1.00 21.12 H new ATOM 79 N THR A 16 -3.551 1.052 -7.266 1.00 21.41 N ATOM 80 CA THR A 16 -4.689 1.961 -7.226 1.00 72.11 C ATOM 81 C THR A 16 -5.664 1.574 -6.120 1.00 4.05 C ATOM 82 O THR A 16 -6.542 0.734 -6.316 1.00 61.45 O ATOM 83 CB THR A 16 -5.439 1.981 -8.571 1.00 74.13 C ATOM 84 OG1 THR A 16 -5.849 0.655 -8.924 1.00 21.23 O ATOM 85 CG2 THR A 16 -4.561 2.555 -9.672 1.00 41.34 C ATOM 0 H THR A 16 -3.785 0.076 -7.085 1.00 21.41 H new ATOM 0 HA THR A 16 -4.292 2.956 -7.024 1.00 72.11 H new ATOM 0 HB THR A 16 -6.318 2.616 -8.461 1.00 74.13 H new ATOM 0 HG1 THR A 16 -6.220 0.206 -8.136 1.00 21.23 H new ATOM 0 HG21 THR A 16 -5.112 2.559 -10.612 1.00 41.34 H new ATOM 0 HG22 THR A 16 -4.275 3.575 -9.415 1.00 41.34 H new ATOM 0 HG23 THR A 16 -3.665 1.943 -9.779 1.00 41.34 H new ATOM 93 N THR A 17 -5.504 2.193 -4.954 1.00 31.13 N ATOM 94 CA THR A 17 -6.370 1.913 -3.815 1.00 64.10 C ATOM 95 C THR A 17 -7.127 3.162 -3.380 1.00 53.01 C ATOM 96 O THR A 17 -7.155 4.162 -4.096 1.00 54.23 O ATOM 97 CB THR A 17 -5.566 1.371 -2.618 1.00 45.11 C ATOM 98 OG1 THR A 17 -4.173 1.656 -2.794 1.00 13.12 O ATOM 99 CG2 THR A 17 -5.766 -0.129 -2.466 1.00 60.21 C ATOM 0 H THR A 17 -4.783 2.891 -4.774 1.00 31.13 H new ATOM 0 HA THR A 17 -7.082 1.154 -4.139 1.00 64.10 H new ATOM 0 HB THR A 17 -5.926 1.863 -1.714 1.00 45.11 H new ATOM 0 HG1 THR A 17 -3.641 1.027 -2.263 1.00 13.12 H new ATOM 0 HG21 THR A 17 -5.188 -0.489 -1.614 1.00 60.21 H new ATOM 0 HG22 THR A 17 -6.823 -0.340 -2.303 1.00 60.21 H new ATOM 0 HG23 THR A 17 -5.430 -0.634 -3.371 1.00 60.21 H new ATOM 107 N GLU A 18 -7.740 3.097 -2.202 1.00 24.01 N ATOM 108 CA GLU A 18 -8.498 4.224 -1.673 1.00 1.54 C ATOM 109 C GLU A 18 -7.788 4.841 -0.471 1.00 1.41 C ATOM 110 O GLU A 18 -6.916 5.696 -0.623 1.00 71.23 O ATOM 111 CB GLU A 18 -9.906 3.778 -1.273 1.00 41.22 C ATOM 112 CG GLU A 18 -10.738 4.882 -0.643 1.00 14.11 C ATOM 113 CD GLU A 18 -12.223 4.711 -0.899 1.00 12.52 C ATOM 114 OE1 GLU A 18 -12.588 4.274 -2.010 1.00 21.42 O ATOM 115 OE2 GLU A 18 -13.021 5.016 0.013 1.00 25.11 O ATOM 0 H GLU A 18 -7.726 2.276 -1.597 1.00 24.01 H new ATOM 0 HA GLU A 18 -8.572 4.978 -2.456 1.00 1.54 H new ATOM 0 HB2 GLU A 18 -10.424 3.403 -2.156 1.00 41.22 H new ATOM 0 HB3 GLU A 18 -9.829 2.947 -0.572 1.00 41.22 H new ATOM 0 HG2 GLU A 18 -10.558 4.899 0.432 1.00 14.11 H new ATOM 0 HG3 GLU A 18 -10.414 5.846 -1.036 1.00 14.11 H new ATOM 122 N ASN A 19 -8.169 4.402 0.724 1.00 72.30 N ATOM 123 CA ASN A 19 -7.570 4.911 1.952 1.00 15.05 C ATOM 124 C ASN A 19 -6.058 4.712 1.944 1.00 61.32 C ATOM 125 O ASN A 19 -5.332 5.348 2.710 1.00 74.43 O ATOM 126 CB ASN A 19 -8.181 4.213 3.169 1.00 11.14 C ATOM 127 CG ASN A 19 -9.475 4.864 3.620 1.00 23.53 C ATOM 128 OD1 ASN A 19 -9.390 6.121 4.037 1.00 52.25 O flip ATOM 129 ND2 ASN A 19 -10.537 4.242 3.594 1.00 12.44 N flip ATOM 0 H ASN A 19 -8.890 3.695 0.868 1.00 72.30 H new ATOM 0 HA ASN A 19 -7.777 5.979 2.012 1.00 15.05 H new ATOM 0 HB2 ASN A 19 -8.369 3.167 2.928 1.00 11.14 H new ATOM 0 HB3 ASN A 19 -7.465 4.227 3.990 1.00 11.14 H new ATOM 0 HD21 ASN A 19 -10.555 3.277 3.265 1.00 12.44 H new ATOM 0 HD22 ASN A 19 -11.399 4.692 3.901 1.00 12.44 H new ATOM 136 N LEU A 20 -5.589 3.826 1.072 1.00 24.45 N ATOM 137 CA LEU A 20 -4.162 3.542 0.963 1.00 42.34 C ATOM 138 C LEU A 20 -3.473 4.558 0.057 1.00 10.20 C ATOM 139 O LEU A 20 -2.254 4.726 0.110 1.00 54.15 O ATOM 140 CB LEU A 20 -3.943 2.128 0.421 1.00 3.54 C ATOM 141 CG LEU A 20 -3.461 1.089 1.434 1.00 13.13 C ATOM 142 CD1 LEU A 20 -4.378 1.062 2.648 1.00 62.14 C ATOM 143 CD2 LEU A 20 -3.385 -0.288 0.790 1.00 1.44 C ATOM 0 H LEU A 20 -6.176 3.292 0.431 1.00 24.45 H new ATOM 0 HA LEU A 20 -3.725 3.614 1.959 1.00 42.34 H new ATOM 0 HB2 LEU A 20 -4.880 1.777 -0.012 1.00 3.54 H new ATOM 0 HB3 LEU A 20 -3.217 2.180 -0.390 1.00 3.54 H new ATOM 0 HG LEU A 20 -2.461 1.369 1.766 1.00 13.13 H new ATOM 0 HD11 LEU A 20 -4.020 0.317 3.358 1.00 62.14 H new ATOM 0 HD12 LEU A 20 -4.382 2.043 3.123 1.00 62.14 H new ATOM 0 HD13 LEU A 20 -5.390 0.807 2.334 1.00 62.14 H new ATOM 0 HD21 LEU A 20 -3.040 -1.015 1.525 1.00 1.44 H new ATOM 0 HD22 LEU A 20 -4.373 -0.576 0.430 1.00 1.44 H new ATOM 0 HD23 LEU A 20 -2.688 -0.260 -0.047 1.00 1.44 H new ATOM 155 N TYR A 21 -4.261 5.235 -0.771 1.00 71.40 N ATOM 156 CA TYR A 21 -3.727 6.234 -1.688 1.00 54.35 C ATOM 157 C TYR A 21 -3.161 7.427 -0.925 1.00 2.33 C ATOM 158 O TYR A 21 -2.386 8.216 -1.467 1.00 70.41 O ATOM 159 CB TYR A 21 -4.817 6.704 -2.654 1.00 65.45 C ATOM 160 CG TYR A 21 -5.208 8.152 -2.468 1.00 41.23 C ATOM 161 CD1 TYR A 21 -4.393 9.177 -2.934 1.00 15.43 C ATOM 162 CD2 TYR A 21 -6.391 8.496 -1.826 1.00 71.24 C ATOM 163 CE1 TYR A 21 -4.746 10.502 -2.765 1.00 55.43 C ATOM 164 CE2 TYR A 21 -6.753 9.818 -1.655 1.00 22.01 C ATOM 165 CZ TYR A 21 -5.927 10.818 -2.126 1.00 32.52 C ATOM 166 OH TYR A 21 -6.283 12.136 -1.956 1.00 33.23 O ATOM 0 H TYR A 21 -5.272 5.110 -0.826 1.00 71.40 H new ATOM 0 HA TYR A 21 -2.919 5.773 -2.257 1.00 54.35 H new ATOM 0 HB2 TYR A 21 -4.471 6.558 -3.677 1.00 65.45 H new ATOM 0 HB3 TYR A 21 -5.700 6.078 -2.524 1.00 65.45 H new ATOM 0 HD1 TYR A 21 -3.469 8.934 -3.436 1.00 15.43 H new ATOM 0 HD2 TYR A 21 -7.039 7.716 -1.454 1.00 71.24 H new ATOM 0 HE1 TYR A 21 -4.100 11.287 -3.131 1.00 55.43 H new ATOM 0 HE2 TYR A 21 -7.677 10.068 -1.155 1.00 22.01 H new ATOM 0 HH TYR A 21 -6.615 12.270 -1.044 1.00 33.23 H new ATOM 176 N PHE A 22 -3.553 7.553 0.339 1.00 61.22 N ATOM 177 CA PHE A 22 -3.085 8.649 1.179 1.00 14.21 C ATOM 178 C PHE A 22 -1.943 8.193 2.082 1.00 13.34 C ATOM 179 O PHE A 22 -1.148 9.006 2.552 1.00 43.54 O ATOM 180 CB PHE A 22 -4.235 9.195 2.028 1.00 53.30 C ATOM 181 CG PHE A 22 -4.736 10.535 1.569 1.00 63.03 C ATOM 182 CD1 PHE A 22 -3.860 11.594 1.395 1.00 3.33 C ATOM 183 CD2 PHE A 22 -6.082 10.735 1.311 1.00 74.00 C ATOM 184 CE1 PHE A 22 -4.317 12.828 0.972 1.00 1.34 C ATOM 185 CE2 PHE A 22 -6.545 11.966 0.888 1.00 52.45 C ATOM 186 CZ PHE A 22 -5.662 13.015 0.719 1.00 23.32 C ATOM 0 H PHE A 22 -4.194 6.909 0.804 1.00 61.22 H new ATOM 0 HA PHE A 22 -2.715 9.441 0.528 1.00 14.21 H new ATOM 0 HB2 PHE A 22 -5.059 8.482 2.010 1.00 53.30 H new ATOM 0 HB3 PHE A 22 -3.905 9.275 3.064 1.00 53.30 H new ATOM 0 HD1 PHE A 22 -2.807 11.454 1.592 1.00 3.33 H new ATOM 0 HD2 PHE A 22 -6.778 9.919 1.442 1.00 74.00 H new ATOM 0 HE1 PHE A 22 -3.623 13.645 0.839 1.00 1.34 H new ATOM 0 HE2 PHE A 22 -7.597 12.108 0.689 1.00 52.45 H new ATOM 0 HZ PHE A 22 -6.022 13.979 0.390 1.00 23.32 H new ATOM 196 N GLN A 23 -1.871 6.888 2.321 1.00 22.23 N ATOM 197 CA GLN A 23 -0.827 6.324 3.169 1.00 34.24 C ATOM 198 C GLN A 23 0.544 6.479 2.521 1.00 3.31 C ATOM 199 O GLN A 23 1.558 6.594 3.209 1.00 32.40 O ATOM 200 CB GLN A 23 -1.109 4.846 3.446 1.00 31.01 C ATOM 201 CG GLN A 23 -2.522 4.578 3.939 1.00 21.11 C ATOM 202 CD GLN A 23 -2.681 4.839 5.424 1.00 72.30 C ATOM 203 OE1 GLN A 23 -2.205 4.066 6.256 1.00 34.13 O ATOM 204 NE2 GLN A 23 -3.353 5.932 5.765 1.00 51.24 N ATOM 0 H GLN A 23 -2.522 6.202 1.940 1.00 22.23 H new ATOM 0 HA GLN A 23 -0.826 6.870 4.112 1.00 34.24 H new ATOM 0 HB2 GLN A 23 -0.937 4.275 2.534 1.00 31.01 H new ATOM 0 HB3 GLN A 23 -0.399 4.482 4.189 1.00 31.01 H new ATOM 0 HG2 GLN A 23 -3.221 5.206 3.387 1.00 21.11 H new ATOM 0 HG3 GLN A 23 -2.787 3.542 3.725 1.00 21.11 H new ATOM 0 HE21 GLN A 23 -3.730 6.545 5.042 1.00 51.24 H new ATOM 0 HE22 GLN A 23 -3.492 6.159 6.750 1.00 51.24 H new ATOM 213 N GLY A 24 0.568 6.482 1.192 1.00 44.54 N ATOM 214 CA GLY A 24 1.821 6.624 0.473 1.00 41.13 C ATOM 215 C GLY A 24 2.704 7.710 1.055 1.00 23.41 C ATOM 216 O GLY A 24 3.930 7.631 0.975 1.00 12.41 O ATOM 0 H GLY A 24 -0.258 6.389 0.600 1.00 44.54 H new ATOM 0 HA2 GLY A 24 2.357 5.675 0.492 1.00 41.13 H new ATOM 0 HA3 GLY A 24 1.613 6.851 -0.573 1.00 41.13 H new ATOM 220 N ALA A 25 2.081 8.726 1.642 1.00 51.34 N ATOM 221 CA ALA A 25 2.818 9.832 2.240 1.00 45.12 C ATOM 222 C ALA A 25 3.477 9.409 3.548 1.00 31.44 C ATOM 223 O ALA A 25 4.702 9.385 3.658 1.00 4.02 O ATOM 224 CB ALA A 25 1.895 11.019 2.471 1.00 32.33 C ATOM 0 H ALA A 25 1.067 8.806 1.716 1.00 51.34 H new ATOM 0 HA ALA A 25 3.605 10.128 1.546 1.00 45.12 H new ATOM 0 HB1 ALA A 25 2.460 11.837 2.918 1.00 32.33 H new ATOM 0 HB2 ALA A 25 1.476 11.345 1.519 1.00 32.33 H new ATOM 0 HB3 ALA A 25 1.087 10.727 3.142 1.00 32.33 H new ATOM 230 N MET A 26 2.655 9.075 4.538 1.00 10.53 N ATOM 231 CA MET A 26 3.159 8.652 5.840 1.00 52.33 C ATOM 232 C MET A 26 3.938 7.346 5.723 1.00 52.14 C ATOM 233 O MET A 26 4.551 6.890 6.687 1.00 63.01 O ATOM 234 CB MET A 26 2.003 8.484 6.828 1.00 70.33 C ATOM 235 CG MET A 26 0.788 7.794 6.229 1.00 15.50 C ATOM 236 SD MET A 26 -0.552 8.944 5.862 1.00 52.11 S ATOM 237 CE MET A 26 -1.851 8.296 6.911 1.00 13.20 C ATOM 0 H MET A 26 1.638 9.089 4.464 1.00 10.53 H new ATOM 0 HA MET A 26 3.833 9.424 6.210 1.00 52.33 H new ATOM 0 HB2 MET A 26 2.350 7.910 7.687 1.00 70.33 H new ATOM 0 HB3 MET A 26 1.707 9.465 7.199 1.00 70.33 H new ATOM 0 HG2 MET A 26 1.081 7.280 5.314 1.00 15.50 H new ATOM 0 HG3 MET A 26 0.429 7.033 6.921 1.00 15.50 H new ATOM 0 HE1 MET A 26 -2.808 8.371 6.394 1.00 13.20 H new ATOM 0 HE2 MET A 26 -1.645 7.251 7.142 1.00 13.20 H new ATOM 0 HE3 MET A 26 -1.893 8.871 7.836 1.00 13.20 H new ATOM 247 N ALA A 27 3.908 6.749 4.536 1.00 42.03 N ATOM 248 CA ALA A 27 4.613 5.496 4.293 1.00 51.41 C ATOM 249 C ALA A 27 5.892 5.732 3.497 1.00 24.42 C ATOM 250 O ALA A 27 6.378 4.837 2.805 1.00 71.14 O ATOM 251 CB ALA A 27 3.708 4.515 3.563 1.00 22.31 C ATOM 0 H ALA A 27 3.403 7.113 3.728 1.00 42.03 H new ATOM 0 HA ALA A 27 4.890 5.070 5.257 1.00 51.41 H new ATOM 0 HB1 ALA A 27 4.247 3.584 3.388 1.00 22.31 H new ATOM 0 HB2 ALA A 27 2.825 4.315 4.169 1.00 22.31 H new ATOM 0 HB3 ALA A 27 3.403 4.943 2.608 1.00 22.31 H new ATOM 257 N PHE A 28 6.434 6.941 3.600 1.00 32.21 N ATOM 258 CA PHE A 28 7.657 7.294 2.888 1.00 15.14 C ATOM 259 C PHE A 28 8.871 6.630 3.531 1.00 71.14 C ATOM 260 O PHE A 28 10.006 6.838 3.100 1.00 35.53 O ATOM 261 CB PHE A 28 7.841 8.813 2.871 1.00 23.13 C ATOM 262 CG PHE A 28 7.522 9.470 4.184 1.00 43.34 C ATOM 263 CD1 PHE A 28 7.736 8.802 5.378 1.00 30.23 C ATOM 264 CD2 PHE A 28 7.009 10.757 4.222 1.00 24.25 C ATOM 265 CE1 PHE A 28 7.443 9.404 6.587 1.00 14.31 C ATOM 266 CE2 PHE A 28 6.714 11.365 5.428 1.00 24.44 C ATOM 267 CZ PHE A 28 6.932 10.688 6.612 1.00 24.42 C ATOM 0 H PHE A 28 6.046 7.693 4.170 1.00 32.21 H new ATOM 0 HA PHE A 28 7.569 6.934 1.863 1.00 15.14 H new ATOM 0 HB2 PHE A 28 8.871 9.043 2.599 1.00 23.13 H new ATOM 0 HB3 PHE A 28 7.204 9.240 2.096 1.00 23.13 H new ATOM 0 HD1 PHE A 28 8.136 7.799 5.364 1.00 30.23 H new ATOM 0 HD2 PHE A 28 6.838 11.291 3.299 1.00 24.25 H new ATOM 0 HE1 PHE A 28 7.613 8.872 7.511 1.00 14.31 H new ATOM 0 HE2 PHE A 28 6.314 12.368 5.444 1.00 24.44 H new ATOM 0 HZ PHE A 28 6.704 11.161 7.556 1.00 24.42 H new ATOM 277 N ASP A 29 8.624 5.831 4.563 1.00 53.21 N ATOM 278 CA ASP A 29 9.696 5.135 5.265 1.00 12.53 C ATOM 279 C ASP A 29 9.139 4.289 6.406 1.00 53.14 C ATOM 280 O ASP A 29 9.652 3.211 6.700 1.00 23.22 O ATOM 281 CB ASP A 29 10.714 6.139 5.809 1.00 53.32 C ATOM 282 CG ASP A 29 11.677 5.510 6.796 1.00 42.12 C ATOM 283 OD1 ASP A 29 11.282 5.306 7.962 1.00 34.24 O ATOM 284 OD2 ASP A 29 12.827 5.223 6.402 1.00 21.40 O ATOM 0 H ASP A 29 7.691 5.649 4.932 1.00 53.21 H new ATOM 0 HA ASP A 29 10.192 4.474 4.555 1.00 12.53 H new ATOM 0 HB2 ASP A 29 11.277 6.567 4.979 1.00 53.32 H new ATOM 0 HB3 ASP A 29 10.186 6.960 6.294 1.00 53.32 H new ATOM 289 N GLY A 30 8.084 4.787 7.045 1.00 24.21 N ATOM 290 CA GLY A 30 7.476 4.064 8.147 1.00 51.23 C ATOM 291 C GLY A 30 6.728 2.829 7.687 1.00 74.22 C ATOM 292 O GLY A 30 6.192 2.080 8.504 1.00 51.55 O ATOM 0 H GLY A 30 7.640 5.677 6.819 1.00 24.21 H new ATOM 0 HA2 GLY A 30 8.250 3.773 8.857 1.00 51.23 H new ATOM 0 HA3 GLY A 30 6.789 4.725 8.676 1.00 51.23 H new ATOM 296 N GLU A 31 6.690 2.616 6.375 1.00 35.11 N ATOM 297 CA GLU A 31 5.999 1.463 5.809 1.00 54.43 C ATOM 298 C GLU A 31 6.966 0.304 5.586 1.00 11.42 C ATOM 299 O GLU A 31 7.768 0.322 4.653 1.00 44.13 O ATOM 300 CB GLU A 31 5.327 1.842 4.487 1.00 11.42 C ATOM 301 CG GLU A 31 5.010 0.649 3.602 1.00 54.24 C ATOM 302 CD GLU A 31 6.032 0.453 2.499 1.00 21.42 C ATOM 303 OE1 GLU A 31 6.305 1.424 1.764 1.00 52.43 O ATOM 304 OE2 GLU A 31 6.559 -0.672 2.372 1.00 61.23 O ATOM 0 H GLU A 31 7.129 3.226 5.685 1.00 35.11 H new ATOM 0 HA GLU A 31 5.236 1.145 6.519 1.00 54.43 H new ATOM 0 HB2 GLU A 31 4.404 2.381 4.700 1.00 11.42 H new ATOM 0 HB3 GLU A 31 5.977 2.526 3.941 1.00 11.42 H new ATOM 0 HG2 GLU A 31 4.965 -0.251 4.215 1.00 54.24 H new ATOM 0 HG3 GLU A 31 4.023 0.782 3.158 1.00 54.24 H new ATOM 311 N ASP A 32 6.884 -0.701 6.450 1.00 33.14 N ATOM 312 CA ASP A 32 7.751 -1.869 6.349 1.00 32.21 C ATOM 313 C ASP A 32 6.930 -3.139 6.146 1.00 62.03 C ATOM 314 O ASP A 32 5.830 -3.097 5.595 1.00 5.44 O ATOM 315 CB ASP A 32 8.614 -2.001 7.605 1.00 51.31 C ATOM 316 CG ASP A 32 9.159 -0.666 8.075 1.00 35.34 C ATOM 317 OD1 ASP A 32 9.370 0.222 7.223 1.00 34.52 O ATOM 318 OD2 ASP A 32 9.374 -0.510 9.296 1.00 64.13 O ATOM 0 H ASP A 32 6.226 -0.731 7.229 1.00 33.14 H new ATOM 0 HA ASP A 32 8.400 -1.735 5.484 1.00 32.21 H new ATOM 0 HB2 ASP A 32 8.023 -2.450 8.403 1.00 51.31 H new ATOM 0 HB3 ASP A 32 9.444 -2.678 7.403 1.00 51.31 H new ATOM 323 N GLU A 33 7.474 -4.267 6.593 1.00 53.12 N ATOM 324 CA GLU A 33 6.792 -5.549 6.457 1.00 11.34 C ATOM 325 C GLU A 33 6.512 -6.163 7.826 1.00 55.01 C ATOM 326 O GLU A 33 7.427 -6.604 8.520 1.00 4.25 O ATOM 327 CB GLU A 33 7.632 -6.512 5.616 1.00 31.12 C ATOM 328 CG GLU A 33 8.158 -5.897 4.330 1.00 22.13 C ATOM 329 CD GLU A 33 9.644 -5.599 4.391 1.00 32.44 C ATOM 330 OE1 GLU A 33 10.153 -5.343 5.502 1.00 30.24 O ATOM 331 OE2 GLU A 33 10.297 -5.623 3.327 1.00 1.02 O ATOM 0 H GLU A 33 8.384 -4.319 7.052 1.00 53.12 H new ATOM 0 HA GLU A 33 5.841 -5.375 5.954 1.00 11.34 H new ATOM 0 HB2 GLU A 33 8.474 -6.862 6.213 1.00 31.12 H new ATOM 0 HB3 GLU A 33 7.030 -7.387 5.371 1.00 31.12 H new ATOM 0 HG2 GLU A 33 7.961 -6.576 3.500 1.00 22.13 H new ATOM 0 HG3 GLU A 33 7.614 -4.975 4.124 1.00 22.13 H new ATOM 338 N VAL A 34 5.238 -6.188 8.207 1.00 4.23 N ATOM 339 CA VAL A 34 4.836 -6.748 9.492 1.00 51.11 C ATOM 340 C VAL A 34 4.742 -8.268 9.424 1.00 42.05 C ATOM 341 O VAL A 34 5.726 -8.950 9.134 1.00 1.03 O ATOM 342 CB VAL A 34 3.479 -6.181 9.951 1.00 24.01 C ATOM 343 CG1 VAL A 34 3.174 -6.615 11.377 1.00 43.42 C ATOM 344 CG2 VAL A 34 3.468 -4.665 9.832 1.00 4.53 C ATOM 0 H VAL A 34 4.468 -5.827 7.644 1.00 4.23 H new ATOM 0 HA VAL A 34 5.603 -6.466 10.214 1.00 51.11 H new ATOM 0 HB VAL A 34 2.700 -6.579 9.301 1.00 24.01 H new ATOM 0 HG11 VAL A 34 2.212 -6.205 11.684 1.00 43.42 H new ATOM 0 HG12 VAL A 34 3.137 -7.703 11.426 1.00 43.42 H new ATOM 0 HG13 VAL A 34 3.954 -6.248 12.044 1.00 43.42 H new ATOM 0 HG21 VAL A 34 2.502 -4.281 10.160 1.00 4.53 H new ATOM 0 HG22 VAL A 34 4.257 -4.245 10.457 1.00 4.53 H new ATOM 0 HG23 VAL A 34 3.638 -4.380 8.794 1.00 4.53 H new ATOM 354 N THR A 35 3.551 -8.795 9.691 1.00 3.23 N ATOM 355 CA THR A 35 3.328 -10.235 9.661 1.00 42.31 C ATOM 356 C THR A 35 1.960 -10.567 9.076 1.00 44.13 C ATOM 357 O THR A 35 1.850 -10.965 7.917 1.00 63.30 O ATOM 358 CB THR A 35 3.434 -10.849 11.069 1.00 24.43 C ATOM 359 OG1 THR A 35 2.462 -10.257 11.937 1.00 10.43 O ATOM 360 CG2 THR A 35 4.827 -10.645 11.645 1.00 4.14 C ATOM 0 H THR A 35 2.726 -8.246 9.931 1.00 3.23 H new ATOM 0 HA THR A 35 4.105 -10.662 9.027 1.00 42.31 H new ATOM 0 HB THR A 35 3.244 -11.919 10.989 1.00 24.43 H new ATOM 0 HG1 THR A 35 2.167 -10.918 12.597 1.00 10.43 H new ATOM 0 HG21 THR A 35 4.878 -11.087 12.640 1.00 4.14 H new ATOM 0 HG22 THR A 35 5.562 -11.123 10.998 1.00 4.14 H new ATOM 0 HG23 THR A 35 5.041 -9.578 11.711 1.00 4.14 H new ATOM 368 N GLY A 36 0.919 -10.400 9.885 1.00 12.31 N ATOM 369 CA GLY A 36 -0.429 -10.686 9.429 1.00 63.11 C ATOM 370 C GLY A 36 -1.484 -10.245 10.424 1.00 62.11 C ATOM 371 O GLY A 36 -2.333 -9.404 10.129 1.00 73.33 O ATOM 0 H GLY A 36 0.985 -10.072 10.848 1.00 12.31 H new ATOM 0 HA2 GLY A 36 -0.601 -10.185 8.476 1.00 63.11 H new ATOM 0 HA3 GLY A 36 -0.529 -11.756 9.249 1.00 63.11 H new ATOM 375 N PRO A 37 -1.439 -10.821 11.634 1.00 22.33 N ATOM 376 CA PRO A 37 -2.392 -10.499 12.700 1.00 1.14 C ATOM 377 C PRO A 37 -2.189 -9.093 13.254 1.00 4.30 C ATOM 378 O PRO A 37 -1.114 -8.509 13.112 1.00 0.14 O ATOM 379 CB PRO A 37 -2.089 -11.546 13.775 1.00 11.34 C ATOM 380 CG PRO A 37 -0.669 -11.930 13.540 1.00 31.15 C ATOM 381 CD PRO A 37 -0.454 -11.831 12.056 1.00 65.44 C ATOM 0 HA PRO A 37 -3.422 -10.518 12.345 1.00 1.14 H new ATOM 0 HB2 PRO A 37 -2.228 -11.137 14.776 1.00 11.34 H new ATOM 0 HB3 PRO A 37 -2.752 -12.407 13.687 1.00 11.34 H new ATOM 0 HG2 PRO A 37 0.009 -11.267 14.078 1.00 31.15 H new ATOM 0 HG3 PRO A 37 -0.474 -12.942 13.896 1.00 31.15 H new ATOM 0 HD2 PRO A 37 0.564 -11.523 11.817 1.00 65.44 H new ATOM 0 HD3 PRO A 37 -0.622 -12.787 11.561 1.00 65.44 H new ATOM 389 N ASP A 38 -3.227 -8.555 13.885 1.00 45.42 N ATOM 390 CA ASP A 38 -3.161 -7.217 14.461 1.00 11.35 C ATOM 391 C ASP A 38 -2.177 -7.175 15.626 1.00 11.35 C ATOM 392 O ASP A 38 -1.529 -6.157 15.868 1.00 42.13 O ATOM 393 CB ASP A 38 -4.547 -6.773 14.932 1.00 40.41 C ATOM 394 CG ASP A 38 -5.468 -7.945 15.209 1.00 44.12 C ATOM 395 OD1 ASP A 38 -5.046 -8.873 15.930 1.00 20.41 O ATOM 396 OD2 ASP A 38 -6.610 -7.933 14.705 1.00 61.50 O ATOM 0 H ASP A 38 -4.124 -9.025 14.011 1.00 45.42 H new ATOM 0 HA ASP A 38 -2.811 -6.532 13.688 1.00 11.35 H new ATOM 0 HB2 ASP A 38 -4.445 -6.173 15.836 1.00 40.41 H new ATOM 0 HB3 ASP A 38 -4.997 -6.132 14.174 1.00 40.41 H new ATOM 401 N ALA A 39 -2.072 -8.287 16.346 1.00 13.03 N ATOM 402 CA ALA A 39 -1.167 -8.377 17.485 1.00 32.32 C ATOM 403 C ALA A 39 0.236 -7.914 17.109 1.00 22.33 C ATOM 404 O ALA A 39 0.970 -7.384 17.944 1.00 32.41 O ATOM 405 CB ALA A 39 -1.130 -9.802 18.018 1.00 21.00 C ATOM 0 H ALA A 39 -2.603 -9.138 16.161 1.00 13.03 H new ATOM 0 HA ALA A 39 -1.541 -7.717 18.268 1.00 32.32 H new ATOM 0 HB1 ALA A 39 -0.450 -9.855 18.868 1.00 21.00 H new ATOM 0 HB2 ALA A 39 -2.130 -10.098 18.334 1.00 21.00 H new ATOM 0 HB3 ALA A 39 -0.783 -10.475 17.234 1.00 21.00 H new ATOM 411 N ASP A 40 0.604 -8.118 15.849 1.00 34.11 N ATOM 412 CA ASP A 40 1.920 -7.721 15.362 1.00 13.05 C ATOM 413 C ASP A 40 1.933 -6.246 14.973 1.00 73.10 C ATOM 414 O ASP A 40 2.954 -5.570 15.097 1.00 63.34 O ATOM 415 CB ASP A 40 2.325 -8.581 14.165 1.00 61.24 C ATOM 416 CG ASP A 40 3.203 -9.751 14.563 1.00 44.03 C ATOM 417 OD1 ASP A 40 2.661 -10.753 15.074 1.00 24.32 O ATOM 418 OD2 ASP A 40 4.433 -9.665 14.362 1.00 53.40 O ATOM 0 H ASP A 40 0.009 -8.556 15.146 1.00 34.11 H new ATOM 0 HA ASP A 40 2.639 -7.872 16.167 1.00 13.05 H new ATOM 0 HB2 ASP A 40 1.429 -8.955 13.670 1.00 61.24 H new ATOM 0 HB3 ASP A 40 2.855 -7.963 13.440 1.00 61.24 H new ATOM 423 N ARG A 41 0.792 -5.754 14.501 1.00 11.22 N ATOM 424 CA ARG A 41 0.673 -4.360 14.091 1.00 11.23 C ATOM 425 C ARG A 41 1.025 -3.423 15.243 1.00 54.51 C ATOM 426 O ARG A 41 1.625 -2.368 15.037 1.00 73.10 O ATOM 427 CB ARG A 41 -0.746 -4.070 13.599 1.00 32.10 C ATOM 428 CG ARG A 41 -1.661 -3.508 14.675 1.00 72.21 C ATOM 429 CD ARG A 41 -3.125 -3.769 14.353 1.00 5.34 C ATOM 430 NE ARG A 41 -4.017 -3.181 15.349 1.00 43.41 N ATOM 431 CZ ARG A 41 -4.064 -3.574 16.617 1.00 51.32 C ATOM 432 NH1 ARG A 41 -3.274 -4.550 17.042 1.00 71.14 N ATOM 433 NH2 ARG A 41 -4.903 -2.989 17.463 1.00 62.40 N ATOM 0 H ARG A 41 -0.063 -6.300 14.393 1.00 11.22 H new ATOM 0 HA ARG A 41 1.375 -4.186 13.276 1.00 11.23 H new ATOM 0 HB2 ARG A 41 -0.697 -3.363 12.770 1.00 32.10 H new ATOM 0 HB3 ARG A 41 -1.181 -4.990 13.208 1.00 32.10 H new ATOM 0 HG2 ARG A 41 -1.413 -3.958 15.636 1.00 72.21 H new ATOM 0 HG3 ARG A 41 -1.494 -2.435 14.772 1.00 72.21 H new ATOM 0 HD2 ARG A 41 -3.359 -3.360 13.370 1.00 5.34 H new ATOM 0 HD3 ARG A 41 -3.299 -4.844 14.300 1.00 5.34 H new ATOM 0 HE ARG A 41 -4.638 -2.427 15.055 1.00 43.41 H new ATOM 0 HH11 ARG A 41 -2.628 -5.001 16.395 1.00 71.14 H new ATOM 0 HH12 ARG A 41 -3.312 -4.850 18.016 1.00 71.14 H new ATOM 0 HH21 ARG A 41 -5.512 -2.237 17.140 1.00 62.40 H new ATOM 0 HH22 ARG A 41 -4.939 -3.291 18.437 1.00 62.40 H new ATOM 447 N ALA A 42 0.646 -3.815 16.455 1.00 41.10 N ATOM 448 CA ALA A 42 0.923 -3.011 17.639 1.00 34.11 C ATOM 449 C ALA A 42 2.408 -3.035 17.984 1.00 13.03 C ATOM 450 O ALA A 42 2.953 -2.053 18.489 1.00 61.41 O ATOM 451 CB ALA A 42 0.097 -3.506 18.817 1.00 12.24 C ATOM 0 H ALA A 42 0.146 -4.684 16.643 1.00 41.10 H new ATOM 0 HA ALA A 42 0.645 -1.980 17.421 1.00 34.11 H new ATOM 0 HB1 ALA A 42 0.313 -2.897 19.695 1.00 12.24 H new ATOM 0 HB2 ALA A 42 -0.963 -3.430 18.575 1.00 12.24 H new ATOM 0 HB3 ALA A 42 0.348 -4.546 19.026 1.00 12.24 H new ATOM 457 N ARG A 43 3.056 -4.162 17.710 1.00 62.02 N ATOM 458 CA ARG A 43 4.478 -4.314 17.993 1.00 2.24 C ATOM 459 C ARG A 43 5.322 -3.604 16.938 1.00 32.24 C ATOM 460 O ARG A 43 6.345 -2.997 17.253 1.00 54.40 O ATOM 461 CB ARG A 43 4.853 -5.796 18.050 1.00 45.23 C ATOM 462 CG ARG A 43 5.513 -6.306 16.779 1.00 55.24 C ATOM 463 CD ARG A 43 5.516 -7.826 16.724 1.00 2.51 C ATOM 464 NE ARG A 43 6.668 -8.344 15.991 1.00 31.20 N ATOM 465 CZ ARG A 43 7.899 -8.382 16.488 1.00 2.00 C ATOM 466 NH1 ARG A 43 8.137 -7.934 17.713 1.00 21.31 N ATOM 467 NH2 ARG A 43 8.895 -8.869 15.759 1.00 4.13 N ATOM 0 H ARG A 43 2.619 -4.984 17.292 1.00 62.02 H new ATOM 0 HA ARG A 43 4.681 -3.858 18.962 1.00 2.24 H new ATOM 0 HB2 ARG A 43 5.528 -5.959 18.890 1.00 45.23 H new ATOM 0 HB3 ARG A 43 3.955 -6.382 18.243 1.00 45.23 H new ATOM 0 HG2 ARG A 43 4.986 -5.910 15.910 1.00 55.24 H new ATOM 0 HG3 ARG A 43 6.537 -5.937 16.726 1.00 55.24 H new ATOM 0 HD2 ARG A 43 5.522 -8.226 17.738 1.00 2.51 H new ATOM 0 HD3 ARG A 43 4.598 -8.174 16.250 1.00 2.51 H new ATOM 0 HE ARG A 43 6.519 -8.696 15.045 1.00 31.20 H new ATOM 0 HH11 ARG A 43 7.374 -7.559 18.276 1.00 21.31 H new ATOM 0 HH12 ARG A 43 9.083 -7.964 18.092 1.00 21.31 H new ATOM 0 HH21 ARG A 43 8.715 -9.214 14.816 1.00 4.13 H new ATOM 0 HH22 ARG A 43 9.840 -8.898 16.141 1.00 4.13 H new ATOM 481 N ALA A 44 4.885 -3.687 15.686 1.00 44.52 N ATOM 482 CA ALA A 44 5.599 -3.051 14.585 1.00 61.41 C ATOM 483 C ALA A 44 5.290 -1.560 14.518 1.00 11.32 C ATOM 484 O ALA A 44 6.189 -0.725 14.613 1.00 41.02 O ATOM 485 CB ALA A 44 5.245 -3.725 13.268 1.00 72.34 C ATOM 0 H ALA A 44 4.041 -4.188 15.409 1.00 44.52 H new ATOM 0 HA ALA A 44 6.668 -3.165 14.764 1.00 61.41 H new ATOM 0 HB1 ALA A 44 5.785 -3.240 12.455 1.00 72.34 H new ATOM 0 HB2 ALA A 44 5.523 -4.778 13.312 1.00 72.34 H new ATOM 0 HB3 ALA A 44 4.173 -3.640 13.093 1.00 72.34 H new ATOM 491 N ALA A 45 4.012 -1.232 14.354 1.00 45.30 N ATOM 492 CA ALA A 45 3.585 0.160 14.276 1.00 60.31 C ATOM 493 C ALA A 45 3.999 0.932 15.524 1.00 45.24 C ATOM 494 O ALA A 45 4.038 2.162 15.519 1.00 13.14 O ATOM 495 CB ALA A 45 2.078 0.239 14.080 1.00 22.41 C ATOM 0 H ALA A 45 3.255 -1.911 14.273 1.00 45.30 H new ATOM 0 HA ALA A 45 4.077 0.618 13.418 1.00 60.31 H new ATOM 0 HB1 ALA A 45 1.773 1.284 14.023 1.00 22.41 H new ATOM 0 HB2 ALA A 45 1.804 -0.270 13.156 1.00 22.41 H new ATOM 0 HB3 ALA A 45 1.576 -0.241 14.920 1.00 22.41 H new ATOM 501 N ALA A 46 4.308 0.202 16.590 1.00 4.34 N ATOM 502 CA ALA A 46 4.721 0.819 17.845 1.00 42.42 C ATOM 503 C ALA A 46 5.974 1.667 17.653 1.00 23.03 C ATOM 504 O ALA A 46 5.895 2.887 17.508 1.00 33.12 O ATOM 505 CB ALA A 46 4.959 -0.247 18.904 1.00 4.51 C ATOM 0 H ALA A 46 4.280 -0.817 16.610 1.00 4.34 H new ATOM 0 HA ALA A 46 3.918 1.475 18.181 1.00 42.42 H new ATOM 0 HB1 ALA A 46 5.267 0.228 19.836 1.00 4.51 H new ATOM 0 HB2 ALA A 46 4.039 -0.808 19.069 1.00 4.51 H new ATOM 0 HB3 ALA A 46 5.742 -0.926 18.567 1.00 4.51 H new ATOM 511 N VAL A 47 7.132 1.013 17.655 1.00 74.14 N ATOM 512 CA VAL A 47 8.402 1.707 17.481 1.00 61.34 C ATOM 513 C VAL A 47 9.085 1.286 16.184 1.00 52.10 C ATOM 514 O VAL A 47 10.004 1.954 15.711 1.00 73.14 O ATOM 515 CB VAL A 47 9.355 1.437 18.660 1.00 12.34 C ATOM 516 CG1 VAL A 47 10.664 2.189 18.472 1.00 32.03 C ATOM 517 CG2 VAL A 47 8.695 1.821 19.976 1.00 34.21 C ATOM 0 H VAL A 47 7.216 0.004 17.775 1.00 74.14 H new ATOM 0 HA VAL A 47 8.177 2.773 17.441 1.00 61.34 H new ATOM 0 HB VAL A 47 9.577 0.370 18.688 1.00 12.34 H new ATOM 0 HG11 VAL A 47 11.325 1.986 19.315 1.00 32.03 H new ATOM 0 HG12 VAL A 47 11.142 1.862 17.549 1.00 32.03 H new ATOM 0 HG13 VAL A 47 10.464 3.259 18.417 1.00 32.03 H new ATOM 0 HG21 VAL A 47 9.382 1.624 20.799 1.00 34.21 H new ATOM 0 HG22 VAL A 47 8.442 2.881 19.961 1.00 34.21 H new ATOM 0 HG23 VAL A 47 7.787 1.234 20.113 1.00 34.21 H new ATOM 527 N GLN A 48 8.629 0.175 15.615 1.00 54.02 N ATOM 528 CA GLN A 48 9.196 -0.335 14.372 1.00 1.32 C ATOM 529 C GLN A 48 8.759 0.517 13.185 1.00 62.44 C ATOM 530 O GLN A 48 9.497 0.668 12.212 1.00 65.32 O ATOM 531 CB GLN A 48 8.776 -1.789 14.154 1.00 23.30 C ATOM 532 CG GLN A 48 9.011 -2.678 15.364 1.00 23.54 C ATOM 533 CD GLN A 48 9.146 -4.143 14.996 1.00 52.24 C ATOM 534 OE1 GLN A 48 8.167 -4.890 15.005 1.00 11.30 O ATOM 535 NE2 GLN A 48 10.362 -4.562 14.668 1.00 45.42 N ATOM 0 H GLN A 48 7.869 -0.389 15.995 1.00 54.02 H new ATOM 0 HA GLN A 48 10.282 -0.286 14.450 1.00 1.32 H new ATOM 0 HB2 GLN A 48 7.718 -1.818 13.893 1.00 23.30 H new ATOM 0 HB3 GLN A 48 9.325 -2.194 13.304 1.00 23.30 H new ATOM 0 HG2 GLN A 48 9.915 -2.352 15.879 1.00 23.54 H new ATOM 0 HG3 GLN A 48 8.184 -2.558 16.064 1.00 23.54 H new ATOM 0 HE21 GLN A 48 11.145 -3.909 14.674 1.00 45.42 H new ATOM 0 HE22 GLN A 48 10.513 -5.537 14.410 1.00 45.42 H new ATOM 544 N ALA A 49 7.554 1.070 13.271 1.00 2.44 N ATOM 545 CA ALA A 49 7.020 1.908 12.205 1.00 73.22 C ATOM 546 C ALA A 49 6.995 3.375 12.619 1.00 42.21 C ATOM 547 O ALA A 49 6.603 4.244 11.840 1.00 13.11 O ATOM 548 CB ALA A 49 5.623 1.443 11.818 1.00 4.13 C ATOM 0 H ALA A 49 6.929 0.953 14.068 1.00 2.44 H new ATOM 0 HA ALA A 49 7.676 1.813 11.340 1.00 73.22 H new ATOM 0 HB1 ALA A 49 5.236 2.078 11.021 1.00 4.13 H new ATOM 0 HB2 ALA A 49 5.666 0.411 11.471 1.00 4.13 H new ATOM 0 HB3 ALA A 49 4.965 1.507 12.685 1.00 4.13 H new ATOM 554 N VAL A 50 7.416 3.645 13.851 1.00 64.15 N ATOM 555 CA VAL A 50 7.443 5.008 14.368 1.00 20.32 C ATOM 556 C VAL A 50 8.814 5.644 14.170 1.00 22.03 C ATOM 557 O VAL A 50 9.023 6.825 14.446 1.00 5.52 O ATOM 558 CB VAL A 50 7.082 5.047 15.865 1.00 23.41 C ATOM 559 CG1 VAL A 50 8.342 5.067 16.718 1.00 52.54 C ATOM 560 CG2 VAL A 50 6.203 6.250 16.170 1.00 74.35 C ATOM 0 H VAL A 50 7.743 2.938 14.509 1.00 64.15 H new ATOM 0 HA VAL A 50 6.699 5.574 13.807 1.00 20.32 H new ATOM 0 HB VAL A 50 6.521 4.145 16.109 1.00 23.41 H new ATOM 0 HG11 VAL A 50 8.067 5.095 17.772 1.00 52.54 H new ATOM 0 HG12 VAL A 50 8.930 4.171 16.520 1.00 52.54 H new ATOM 0 HG13 VAL A 50 8.933 5.950 16.474 1.00 52.54 H new ATOM 0 HG21 VAL A 50 5.958 6.262 17.232 1.00 74.35 H new ATOM 0 HG22 VAL A 50 6.736 7.165 15.911 1.00 74.35 H new ATOM 0 HG23 VAL A 50 5.285 6.187 15.586 1.00 74.35 H new ATOM 570 N PRO A 51 9.773 4.844 13.680 1.00 74.10 N ATOM 571 CA PRO A 51 11.141 5.307 13.433 1.00 41.52 C ATOM 572 C PRO A 51 11.220 6.283 12.263 1.00 24.23 C ATOM 573 O PRO A 51 12.088 7.154 12.227 1.00 41.22 O ATOM 574 CB PRO A 51 11.899 4.018 13.106 1.00 12.22 C ATOM 575 CG PRO A 51 10.858 3.088 12.587 1.00 54.14 C ATOM 576 CD PRO A 51 9.594 3.425 13.329 1.00 52.14 C ATOM 0 HA PRO A 51 11.547 5.851 14.286 1.00 41.52 H new ATOM 0 HB2 PRO A 51 12.678 4.194 12.364 1.00 12.22 H new ATOM 0 HB3 PRO A 51 12.388 3.611 13.991 1.00 12.22 H new ATOM 0 HG2 PRO A 51 10.725 3.212 11.512 1.00 54.14 H new ATOM 0 HG3 PRO A 51 11.144 2.050 12.755 1.00 54.14 H new ATOM 0 HD2 PRO A 51 8.711 3.273 12.708 1.00 52.14 H new ATOM 0 HD3 PRO A 51 9.471 2.804 14.216 1.00 52.14 H new ATOM 584 N GLY A 52 10.308 6.130 11.308 1.00 10.12 N ATOM 585 CA GLY A 52 10.293 7.005 10.150 1.00 34.04 C ATOM 586 C GLY A 52 9.738 8.379 10.470 1.00 45.35 C ATOM 587 O GLY A 52 10.383 9.393 10.205 1.00 4.13 O ATOM 0 H GLY A 52 9.580 5.416 11.315 1.00 10.12 H new ATOM 0 HA2 GLY A 52 11.307 7.107 9.762 1.00 34.04 H new ATOM 0 HA3 GLY A 52 9.694 6.549 9.361 1.00 34.04 H new ATOM 591 N GLY A 53 8.537 8.414 11.039 1.00 42.14 N ATOM 592 CA GLY A 53 7.916 9.680 11.383 1.00 71.41 C ATOM 593 C GLY A 53 6.708 9.507 12.283 1.00 63.24 C ATOM 594 O GLY A 53 6.430 10.355 13.131 1.00 34.32 O ATOM 0 H GLY A 53 7.983 7.589 11.268 1.00 42.14 H new ATOM 0 HA2 GLY A 53 8.648 10.317 11.880 1.00 71.41 H new ATOM 0 HA3 GLY A 53 7.615 10.193 10.470 1.00 71.41 H new ATOM 598 N THR A 54 5.987 8.406 12.097 1.00 33.32 N ATOM 599 CA THR A 54 4.801 8.126 12.897 1.00 74.55 C ATOM 600 C THR A 54 4.643 6.629 13.141 1.00 50.13 C ATOM 601 O THR A 54 5.147 5.809 12.374 1.00 54.13 O ATOM 602 CB THR A 54 3.526 8.660 12.217 1.00 50.32 C ATOM 603 OG1 THR A 54 2.374 7.989 12.739 1.00 11.32 O ATOM 604 CG2 THR A 54 3.593 8.464 10.710 1.00 44.42 C ATOM 0 H THR A 54 6.203 7.694 11.400 1.00 33.32 H new ATOM 0 HA THR A 54 4.936 8.635 13.851 1.00 74.55 H new ATOM 0 HB THR A 54 3.450 9.727 12.426 1.00 50.32 H new ATOM 0 HG1 THR A 54 2.387 8.030 13.718 1.00 11.32 H new ATOM 0 HG21 THR A 54 2.682 8.849 10.252 1.00 44.42 H new ATOM 0 HG22 THR A 54 4.454 9.001 10.311 1.00 44.42 H new ATOM 0 HG23 THR A 54 3.691 7.402 10.485 1.00 44.42 H new ATOM 612 N ALA A 55 3.940 6.280 14.213 1.00 2.13 N ATOM 613 CA ALA A 55 3.714 4.882 14.557 1.00 61.34 C ATOM 614 C ALA A 55 2.742 4.227 13.581 1.00 41.12 C ATOM 615 O ALA A 55 1.570 4.026 13.897 1.00 4.24 O ATOM 616 CB ALA A 55 3.193 4.766 15.981 1.00 31.44 C ATOM 0 H ALA A 55 3.517 6.947 14.859 1.00 2.13 H new ATOM 0 HA ALA A 55 4.667 4.358 14.487 1.00 61.34 H new ATOM 0 HB1 ALA A 55 3.029 3.716 16.224 1.00 31.44 H new ATOM 0 HB2 ALA A 55 3.923 5.188 16.671 1.00 31.44 H new ATOM 0 HB3 ALA A 55 2.253 5.310 16.070 1.00 31.44 H new ATOM 622 N GLY A 56 3.237 3.897 12.392 1.00 72.14 N ATOM 623 CA GLY A 56 2.398 3.269 11.387 1.00 12.34 C ATOM 624 C GLY A 56 3.160 2.276 10.533 1.00 4.02 C ATOM 625 O GLY A 56 3.969 2.665 9.691 1.00 31.12 O ATOM 0 H GLY A 56 4.204 4.053 12.107 1.00 72.14 H new ATOM 0 HA2 GLY A 56 1.568 2.760 11.877 1.00 12.34 H new ATOM 0 HA3 GLY A 56 1.966 4.038 10.747 1.00 12.34 H new ATOM 629 N GLU A 57 2.904 0.990 10.752 1.00 53.13 N ATOM 630 CA GLU A 57 3.575 -0.061 9.996 1.00 32.23 C ATOM 631 C GLU A 57 2.696 -0.553 8.849 1.00 1.45 C ATOM 632 O GLU A 57 1.672 0.053 8.534 1.00 73.21 O ATOM 633 CB GLU A 57 3.934 -1.231 10.915 1.00 12.44 C ATOM 634 CG GLU A 57 5.372 -1.699 10.771 1.00 2.32 C ATOM 635 CD GLU A 57 5.955 -1.382 9.408 1.00 51.24 C ATOM 636 OE1 GLU A 57 5.741 -2.179 8.471 1.00 42.03 O ATOM 637 OE2 GLU A 57 6.625 -0.336 9.278 1.00 13.30 O ATOM 0 H GLU A 57 2.238 0.651 11.446 1.00 53.13 H new ATOM 0 HA GLU A 57 4.490 0.357 9.576 1.00 32.23 H new ATOM 0 HB2 GLU A 57 3.759 -0.936 11.950 1.00 12.44 H new ATOM 0 HB3 GLU A 57 3.266 -2.066 10.704 1.00 12.44 H new ATOM 0 HG2 GLU A 57 5.982 -1.228 11.542 1.00 2.32 H new ATOM 0 HG3 GLU A 57 5.419 -2.775 10.941 1.00 2.32 H new ATOM 644 N VAL A 58 3.105 -1.655 8.229 1.00 40.43 N ATOM 645 CA VAL A 58 2.356 -2.229 7.117 1.00 0.33 C ATOM 646 C VAL A 58 2.363 -3.752 7.179 1.00 52.04 C ATOM 647 O VAL A 58 3.397 -4.386 6.973 1.00 71.23 O ATOM 648 CB VAL A 58 2.930 -1.778 5.761 1.00 3.11 C ATOM 649 CG1 VAL A 58 2.293 -2.561 4.624 1.00 74.41 C ATOM 650 CG2 VAL A 58 2.728 -0.283 5.568 1.00 5.51 C ATOM 0 H VAL A 58 3.951 -2.168 8.478 1.00 40.43 H new ATOM 0 HA VAL A 58 1.331 -1.869 7.206 1.00 0.33 H new ATOM 0 HB VAL A 58 4.001 -1.981 5.754 1.00 3.11 H new ATOM 0 HG11 VAL A 58 2.711 -2.228 3.674 1.00 74.41 H new ATOM 0 HG12 VAL A 58 2.494 -3.624 4.757 1.00 74.41 H new ATOM 0 HG13 VAL A 58 1.216 -2.393 4.625 1.00 74.41 H new ATOM 0 HG21 VAL A 58 3.140 0.018 4.605 1.00 5.51 H new ATOM 0 HG22 VAL A 58 1.663 -0.053 5.595 1.00 5.51 H new ATOM 0 HG23 VAL A 58 3.237 0.259 6.365 1.00 5.51 H new ATOM 660 N GLU A 59 1.201 -4.333 7.463 1.00 41.43 N ATOM 661 CA GLU A 59 1.074 -5.783 7.551 1.00 0.52 C ATOM 662 C GLU A 59 0.597 -6.369 6.226 1.00 54.23 C ATOM 663 O GLU A 59 0.077 -5.654 5.368 1.00 11.11 O ATOM 664 CB GLU A 59 0.102 -6.164 8.670 1.00 63.22 C ATOM 665 CG GLU A 59 0.153 -5.228 9.866 1.00 62.51 C ATOM 666 CD GLU A 59 -1.011 -5.432 10.816 1.00 22.41 C ATOM 667 OE1 GLU A 59 -1.068 -6.500 11.462 1.00 13.32 O ATOM 668 OE2 GLU A 59 -1.864 -4.526 10.914 1.00 42.25 O ATOM 0 H GLU A 59 0.335 -3.822 7.636 1.00 41.43 H new ATOM 0 HA GLU A 59 2.057 -6.196 7.777 1.00 0.52 H new ATOM 0 HB2 GLU A 59 -0.912 -6.175 8.271 1.00 63.22 H new ATOM 0 HB3 GLU A 59 0.324 -7.178 9.003 1.00 63.22 H new ATOM 0 HG2 GLU A 59 1.088 -5.383 10.404 1.00 62.51 H new ATOM 0 HG3 GLU A 59 0.154 -4.196 9.515 1.00 62.51 H new ATOM 675 N THR A 60 0.777 -7.676 6.064 1.00 21.12 N ATOM 676 CA THR A 60 0.367 -8.359 4.844 1.00 62.21 C ATOM 677 C THR A 60 -0.540 -9.544 5.155 1.00 13.22 C ATOM 678 O THR A 60 -0.142 -10.476 5.853 1.00 45.32 O ATOM 679 CB THR A 60 1.585 -8.857 4.043 1.00 40.25 C ATOM 680 OG1 THR A 60 1.175 -9.845 3.091 1.00 32.54 O ATOM 681 CG2 THR A 60 2.639 -9.444 4.969 1.00 44.41 C ATOM 0 H THR A 60 1.205 -8.283 6.763 1.00 21.12 H new ATOM 0 HA THR A 60 -0.181 -7.632 4.245 1.00 62.21 H new ATOM 0 HB THR A 60 2.019 -8.006 3.518 1.00 40.25 H new ATOM 0 HG1 THR A 60 1.955 -10.155 2.585 1.00 32.54 H new ATOM 0 HG21 THR A 60 3.489 -9.789 4.380 1.00 44.41 H new ATOM 0 HG22 THR A 60 2.971 -8.681 5.673 1.00 44.41 H new ATOM 0 HG23 THR A 60 2.214 -10.284 5.518 1.00 44.41 H new ATOM 689 N GLU A 61 -1.762 -9.501 4.633 1.00 40.12 N ATOM 690 CA GLU A 61 -2.726 -10.572 4.856 1.00 23.12 C ATOM 691 C GLU A 61 -3.361 -11.016 3.541 1.00 3.34 C ATOM 692 O GLU A 61 -3.349 -10.281 2.553 1.00 10.23 O ATOM 693 CB GLU A 61 -3.812 -10.115 5.832 1.00 75.34 C ATOM 694 CG GLU A 61 -3.857 -10.925 7.116 1.00 22.34 C ATOM 695 CD GLU A 61 -5.125 -11.747 7.244 1.00 23.25 C ATOM 696 OE1 GLU A 61 -5.622 -12.235 6.208 1.00 62.21 O ATOM 697 OE2 GLU A 61 -5.620 -11.902 8.380 1.00 22.12 O ATOM 0 H GLU A 61 -2.108 -8.736 4.053 1.00 40.12 H new ATOM 0 HA GLU A 61 -2.195 -11.421 5.287 1.00 23.12 H new ATOM 0 HB2 GLU A 61 -3.648 -9.066 6.080 1.00 75.34 H new ATOM 0 HB3 GLU A 61 -4.782 -10.178 5.339 1.00 75.34 H new ATOM 0 HG2 GLU A 61 -2.993 -11.589 7.153 1.00 22.34 H new ATOM 0 HG3 GLU A 61 -3.778 -10.251 7.969 1.00 22.34 H new ATOM 704 N THR A 62 -3.915 -12.224 3.537 1.00 63.24 N ATOM 705 CA THR A 62 -4.553 -12.768 2.344 1.00 10.44 C ATOM 706 C THR A 62 -5.988 -13.194 2.634 1.00 4.54 C ATOM 707 O THR A 62 -6.227 -14.264 3.192 1.00 11.53 O ATOM 708 CB THR A 62 -3.773 -13.975 1.790 1.00 11.14 C ATOM 709 OG1 THR A 62 -3.707 -15.010 2.778 1.00 63.14 O ATOM 710 CG2 THR A 62 -2.366 -13.568 1.380 1.00 51.05 C ATOM 0 H THR A 62 -3.935 -12.845 4.346 1.00 63.24 H new ATOM 0 HA THR A 62 -4.556 -11.974 1.597 1.00 10.44 H new ATOM 0 HB THR A 62 -4.298 -14.346 0.910 1.00 11.14 H new ATOM 0 HG1 THR A 62 -4.569 -15.077 3.239 1.00 63.14 H new ATOM 0 HG21 THR A 62 -1.834 -14.437 0.992 1.00 51.05 H new ATOM 0 HG22 THR A 62 -2.420 -12.801 0.608 1.00 51.05 H new ATOM 0 HG23 THR A 62 -1.834 -13.174 2.246 1.00 51.05 H new ATOM 718 N GLY A 63 -6.940 -12.349 2.251 1.00 11.41 N ATOM 719 CA GLY A 63 -8.340 -12.656 2.478 1.00 30.33 C ATOM 720 C GLY A 63 -8.961 -13.418 1.324 1.00 21.34 C ATOM 721 O GLY A 63 -8.322 -14.286 0.731 1.00 61.40 O ATOM 0 H GLY A 63 -6.767 -11.457 1.787 1.00 11.41 H new ATOM 0 HA2 GLY A 63 -8.437 -13.243 3.391 1.00 30.33 H new ATOM 0 HA3 GLY A 63 -8.891 -11.729 2.636 1.00 30.33 H new ATOM 725 N GLU A 64 -10.211 -13.094 1.007 1.00 24.23 N ATOM 726 CA GLU A 64 -10.918 -13.757 -0.082 1.00 30.31 C ATOM 727 C GLU A 64 -10.657 -13.051 -1.409 1.00 73.44 C ATOM 728 O GLU A 64 -11.174 -13.454 -2.451 1.00 1.31 O ATOM 729 CB GLU A 64 -12.421 -13.792 0.203 1.00 21.22 C ATOM 730 CG GLU A 64 -13.195 -14.715 -0.723 1.00 62.11 C ATOM 731 CD GLU A 64 -14.472 -15.237 -0.093 1.00 64.22 C ATOM 732 OE1 GLU A 64 -15.363 -14.416 0.206 1.00 14.35 O ATOM 733 OE2 GLU A 64 -14.579 -16.466 0.100 1.00 30.02 O ATOM 0 H GLU A 64 -10.754 -12.377 1.488 1.00 24.23 H new ATOM 0 HA GLU A 64 -10.545 -14.779 -0.154 1.00 30.31 H new ATOM 0 HB2 GLU A 64 -12.579 -14.109 1.234 1.00 21.22 H new ATOM 0 HB3 GLU A 64 -12.823 -12.783 0.115 1.00 21.22 H new ATOM 0 HG2 GLU A 64 -13.439 -14.181 -1.641 1.00 62.11 H new ATOM 0 HG3 GLU A 64 -12.562 -15.557 -1.003 1.00 62.11 H new ATOM 740 N GLY A 65 -9.851 -11.995 -1.363 1.00 15.30 N ATOM 741 CA GLY A 65 -9.536 -11.249 -2.567 1.00 53.32 C ATOM 742 C GLY A 65 -8.156 -11.571 -3.105 1.00 32.53 C ATOM 743 O GLY A 65 -7.857 -12.725 -3.412 1.00 4.14 O ATOM 0 H GLY A 65 -9.410 -11.643 -0.513 1.00 15.30 H new ATOM 0 HA2 GLY A 65 -10.281 -11.468 -3.332 1.00 53.32 H new ATOM 0 HA3 GLY A 65 -9.600 -10.181 -2.356 1.00 53.32 H new ATOM 747 N ALA A 66 -7.314 -10.550 -3.221 1.00 12.14 N ATOM 748 CA ALA A 66 -5.958 -10.731 -3.725 1.00 15.25 C ATOM 749 C ALA A 66 -4.926 -10.283 -2.695 1.00 60.54 C ATOM 750 O ALA A 66 -4.305 -11.109 -2.026 1.00 52.30 O ATOM 751 CB ALA A 66 -5.773 -9.967 -5.027 1.00 53.32 C ATOM 0 H ALA A 66 -7.547 -9.588 -2.973 1.00 12.14 H new ATOM 0 HA ALA A 66 -5.806 -11.793 -3.915 1.00 15.25 H new ATOM 0 HB1 ALA A 66 -4.756 -10.111 -5.392 1.00 53.32 H new ATOM 0 HB2 ALA A 66 -6.481 -10.336 -5.769 1.00 53.32 H new ATOM 0 HB3 ALA A 66 -5.949 -8.905 -4.854 1.00 53.32 H new ATOM 757 N ALA A 67 -4.747 -8.972 -2.575 1.00 20.10 N ATOM 758 CA ALA A 67 -3.790 -8.416 -1.626 1.00 54.43 C ATOM 759 C ALA A 67 -4.503 -7.687 -0.492 1.00 21.12 C ATOM 760 O ALA A 67 -4.712 -6.476 -0.554 1.00 20.01 O ATOM 761 CB ALA A 67 -2.828 -7.476 -2.337 1.00 42.12 C ATOM 0 H ALA A 67 -5.252 -8.275 -3.123 1.00 20.10 H new ATOM 0 HA ALA A 67 -3.223 -9.240 -1.194 1.00 54.43 H new ATOM 0 HB1 ALA A 67 -2.119 -7.068 -1.617 1.00 42.12 H new ATOM 0 HB2 ALA A 67 -2.287 -8.024 -3.108 1.00 42.12 H new ATOM 0 HB3 ALA A 67 -3.388 -6.661 -2.796 1.00 42.12 H new ATOM 767 N ALA A 68 -4.874 -8.433 0.543 1.00 30.34 N ATOM 768 CA ALA A 68 -5.562 -7.858 1.692 1.00 1.34 C ATOM 769 C ALA A 68 -4.590 -7.591 2.837 1.00 34.31 C ATOM 770 O ALA A 68 -4.430 -8.420 3.734 1.00 51.32 O ATOM 771 CB ALA A 68 -6.683 -8.778 2.152 1.00 24.42 C ATOM 0 H ALA A 68 -4.710 -9.437 0.609 1.00 30.34 H new ATOM 0 HA ALA A 68 -5.993 -6.905 1.386 1.00 1.34 H new ATOM 0 HB1 ALA A 68 -7.188 -8.335 3.011 1.00 24.42 H new ATOM 0 HB2 ALA A 68 -7.398 -8.914 1.341 1.00 24.42 H new ATOM 0 HB3 ALA A 68 -6.267 -9.745 2.434 1.00 24.42 H new ATOM 777 N TYR A 69 -3.944 -6.431 2.800 1.00 21.52 N ATOM 778 CA TYR A 69 -2.985 -6.058 3.833 1.00 13.42 C ATOM 779 C TYR A 69 -3.470 -4.837 4.610 1.00 62.10 C ATOM 780 O TYR A 69 -4.302 -4.070 4.128 1.00 74.51 O ATOM 781 CB TYR A 69 -1.618 -5.770 3.210 1.00 54.30 C ATOM 782 CG TYR A 69 -1.391 -4.308 2.897 1.00 13.02 C ATOM 783 CD1 TYR A 69 -1.016 -3.415 3.893 1.00 1.50 C ATOM 784 CD2 TYR A 69 -1.553 -3.820 1.606 1.00 1.04 C ATOM 785 CE1 TYR A 69 -0.808 -2.078 3.612 1.00 1.02 C ATOM 786 CE2 TYR A 69 -1.346 -2.485 1.316 1.00 24.52 C ATOM 787 CZ TYR A 69 -0.974 -1.618 2.322 1.00 25.43 C ATOM 788 OH TYR A 69 -0.767 -0.288 2.037 1.00 15.05 O ATOM 0 H TYR A 69 -4.067 -5.733 2.066 1.00 21.52 H new ATOM 0 HA TYR A 69 -2.892 -6.894 4.526 1.00 13.42 H new ATOM 0 HB2 TYR A 69 -0.838 -6.112 3.891 1.00 54.30 H new ATOM 0 HB3 TYR A 69 -1.517 -6.349 2.292 1.00 54.30 H new ATOM 0 HD1 TYR A 69 -0.885 -3.772 4.904 1.00 1.50 H new ATOM 0 HD2 TYR A 69 -1.846 -4.496 0.816 1.00 1.04 H new ATOM 0 HE1 TYR A 69 -0.517 -1.397 4.398 1.00 1.02 H new ATOM 0 HE2 TYR A 69 -1.475 -2.122 0.307 1.00 24.52 H new ATOM 0 HH TYR A 69 0.013 -0.197 1.450 1.00 15.05 H new ATOM 798 N GLY A 70 -2.940 -4.664 5.817 1.00 14.53 N ATOM 799 CA GLY A 70 -3.329 -3.535 6.643 1.00 53.14 C ATOM 800 C GLY A 70 -2.141 -2.706 7.088 1.00 11.31 C ATOM 801 O GLY A 70 -1.175 -3.236 7.637 1.00 73.31 O ATOM 0 H GLY A 70 -2.249 -5.285 6.238 1.00 14.53 H new ATOM 0 HA2 GLY A 70 -4.021 -2.903 6.087 1.00 53.14 H new ATOM 0 HA3 GLY A 70 -3.864 -3.898 7.521 1.00 53.14 H new ATOM 805 N VAL A 71 -2.210 -1.400 6.850 1.00 14.33 N ATOM 806 CA VAL A 71 -1.132 -0.495 7.230 1.00 22.23 C ATOM 807 C VAL A 71 -1.547 0.396 8.396 1.00 64.32 C ATOM 808 O VAL A 71 -2.546 1.111 8.319 1.00 11.54 O ATOM 809 CB VAL A 71 -0.701 0.393 6.048 1.00 60.43 C ATOM 810 CG1 VAL A 71 -1.871 0.633 5.106 1.00 71.41 C ATOM 811 CG2 VAL A 71 -0.132 1.711 6.551 1.00 31.41 C ATOM 0 H VAL A 71 -3.002 -0.945 6.396 1.00 14.33 H new ATOM 0 HA VAL A 71 -0.290 -1.117 7.533 1.00 22.23 H new ATOM 0 HB VAL A 71 0.081 -0.125 5.493 1.00 60.43 H new ATOM 0 HG11 VAL A 71 -1.547 1.262 4.277 1.00 71.41 H new ATOM 0 HG12 VAL A 71 -2.228 -0.321 4.719 1.00 71.41 H new ATOM 0 HG13 VAL A 71 -2.677 1.130 5.646 1.00 71.41 H new ATOM 0 HG21 VAL A 71 0.167 2.326 5.702 1.00 31.41 H new ATOM 0 HG22 VAL A 71 -0.891 2.237 7.131 1.00 31.41 H new ATOM 0 HG23 VAL A 71 0.736 1.516 7.181 1.00 31.41 H new ATOM 821 N LEU A 72 -0.773 0.348 9.474 1.00 23.34 N ATOM 822 CA LEU A 72 -1.059 1.151 10.658 1.00 42.53 C ATOM 823 C LEU A 72 -0.480 2.555 10.516 1.00 44.44 C ATOM 824 O LEU A 72 0.605 2.738 9.962 1.00 75.15 O ATOM 825 CB LEU A 72 -0.489 0.477 11.907 1.00 74.53 C ATOM 826 CG LEU A 72 -0.520 -1.052 11.917 1.00 73.22 C ATOM 827 CD1 LEU A 72 -1.804 -1.564 11.281 1.00 24.34 C ATOM 828 CD2 LEU A 72 0.696 -1.615 11.195 1.00 13.04 C ATOM 0 H LEU A 72 0.058 -0.238 9.553 1.00 23.34 H new ATOM 0 HA LEU A 72 -2.141 1.232 10.758 1.00 42.53 H new ATOM 0 HB2 LEU A 72 0.545 0.800 12.031 1.00 74.53 H new ATOM 0 HB3 LEU A 72 -1.042 0.838 12.775 1.00 74.53 H new ATOM 0 HG LEU A 72 -0.492 -1.390 12.953 1.00 73.22 H new ATOM 0 HD11 LEU A 72 -1.808 -2.654 11.297 1.00 24.34 H new ATOM 0 HD12 LEU A 72 -2.661 -1.189 11.840 1.00 24.34 H new ATOM 0 HD13 LEU A 72 -1.863 -1.216 10.250 1.00 24.34 H new ATOM 0 HD21 LEU A 72 0.657 -2.704 11.212 1.00 13.04 H new ATOM 0 HD22 LEU A 72 0.699 -1.268 10.162 1.00 13.04 H new ATOM 0 HD23 LEU A 72 1.604 -1.276 11.694 1.00 13.04 H new ATOM 840 N VAL A 73 -1.209 3.545 11.022 1.00 62.14 N ATOM 841 CA VAL A 73 -0.766 4.933 10.954 1.00 32.52 C ATOM 842 C VAL A 73 -1.316 5.742 12.123 1.00 54.21 C ATOM 843 O VAL A 73 -2.441 6.242 12.073 1.00 60.43 O ATOM 844 CB VAL A 73 -1.201 5.597 9.634 1.00 23.32 C ATOM 845 CG1 VAL A 73 -0.854 7.078 9.642 1.00 30.31 C ATOM 846 CG2 VAL A 73 -0.555 4.896 8.448 1.00 14.01 C ATOM 0 H VAL A 73 -2.109 3.412 11.483 1.00 62.14 H new ATOM 0 HA VAL A 73 0.323 4.921 11.004 1.00 32.52 H new ATOM 0 HB VAL A 73 -2.283 5.502 9.538 1.00 23.32 H new ATOM 0 HG11 VAL A 73 -1.169 7.531 8.702 1.00 30.31 H new ATOM 0 HG12 VAL A 73 -1.367 7.567 10.470 1.00 30.31 H new ATOM 0 HG13 VAL A 73 0.223 7.199 9.760 1.00 30.31 H new ATOM 0 HG21 VAL A 73 -0.873 5.378 7.523 1.00 14.01 H new ATOM 0 HG22 VAL A 73 0.530 4.958 8.535 1.00 14.01 H new ATOM 0 HG23 VAL A 73 -0.858 3.849 8.435 1.00 14.01 H new ATOM 856 N THR A 74 -0.516 5.869 13.177 1.00 43.43 N ATOM 857 CA THR A 74 -0.922 6.618 14.359 1.00 20.03 C ATOM 858 C THR A 74 0.260 6.857 15.292 1.00 41.04 C ATOM 859 O THR A 74 1.403 6.964 14.846 1.00 73.42 O ATOM 860 CB THR A 74 -2.032 5.884 15.135 1.00 55.24 C ATOM 861 OG1 THR A 74 -2.884 5.181 14.223 1.00 41.11 O ATOM 862 CG2 THR A 74 -2.858 6.864 15.954 1.00 11.15 C ATOM 0 H THR A 74 0.418 5.462 13.236 1.00 43.43 H new ATOM 0 HA THR A 74 -1.305 7.577 14.009 1.00 20.03 H new ATOM 0 HB THR A 74 -1.561 5.173 15.814 1.00 55.24 H new ATOM 0 HG1 THR A 74 -3.098 5.761 13.462 1.00 41.11 H new ATOM 0 HG21 THR A 74 -3.635 6.323 16.493 1.00 11.15 H new ATOM 0 HG22 THR A 74 -2.212 7.377 16.667 1.00 11.15 H new ATOM 0 HG23 THR A 74 -3.319 7.595 15.290 1.00 11.15 H new ATOM 870 N ARG A 75 -0.022 6.940 16.588 1.00 63.33 N ATOM 871 CA ARG A 75 1.019 7.167 17.583 1.00 62.30 C ATOM 872 C ARG A 75 1.348 5.877 18.329 1.00 1.25 C ATOM 873 O ARG A 75 0.511 4.986 18.478 1.00 4.44 O ATOM 874 CB ARG A 75 0.579 8.245 18.575 1.00 4.01 C ATOM 875 CG ARG A 75 0.794 9.662 18.069 1.00 5.13 C ATOM 876 CD ARG A 75 -0.408 10.546 18.360 1.00 75.22 C ATOM 877 NE ARG A 75 -1.479 10.351 17.386 1.00 61.23 N ATOM 878 CZ ARG A 75 -2.715 10.809 17.550 1.00 2.21 C ATOM 879 NH1 ARG A 75 -3.034 11.486 18.644 1.00 11.15 N ATOM 880 NH2 ARG A 75 -3.634 10.591 16.618 1.00 10.33 N ATOM 0 H ARG A 75 -0.962 6.853 16.973 1.00 63.33 H new ATOM 0 HA ARG A 75 1.916 7.505 17.064 1.00 62.30 H new ATOM 0 HB2 ARG A 75 -0.478 8.106 18.804 1.00 4.01 H new ATOM 0 HB3 ARG A 75 1.127 8.114 19.508 1.00 4.01 H new ATOM 0 HG2 ARG A 75 1.681 10.086 18.539 1.00 5.13 H new ATOM 0 HG3 ARG A 75 0.981 9.642 16.995 1.00 5.13 H new ATOM 0 HD2 ARG A 75 -0.784 10.330 19.360 1.00 75.22 H new ATOM 0 HD3 ARG A 75 -0.099 11.591 18.355 1.00 75.22 H new ATOM 0 HE ARG A 75 -1.266 9.835 16.533 1.00 61.23 H new ATOM 0 HH11 ARG A 75 -2.330 11.656 19.362 1.00 11.15 H new ATOM 0 HH12 ARG A 75 -3.984 11.837 18.768 1.00 11.15 H new ATOM 0 HH21 ARG A 75 -3.392 10.071 15.775 1.00 10.33 H new ATOM 0 HH22 ARG A 75 -4.583 10.943 16.745 1.00 10.33 H new ATOM 894 N PRO A 76 2.596 5.773 18.810 1.00 0.31 N ATOM 895 CA PRO A 76 3.064 4.597 19.549 1.00 3.00 C ATOM 896 C PRO A 76 2.420 4.483 20.926 1.00 35.11 C ATOM 897 O PRO A 76 2.800 3.633 21.732 1.00 52.14 O ATOM 898 CB PRO A 76 4.570 4.838 19.682 1.00 61.11 C ATOM 899 CG PRO A 76 4.726 6.317 19.600 1.00 53.30 C ATOM 900 CD PRO A 76 3.646 6.796 18.670 1.00 52.43 C ATOM 0 HA PRO A 76 2.810 3.668 19.039 1.00 3.00 H new ATOM 0 HB2 PRO A 76 4.951 4.452 20.627 1.00 61.11 H new ATOM 0 HB3 PRO A 76 5.123 4.337 18.887 1.00 61.11 H new ATOM 0 HG2 PRO A 76 4.625 6.775 20.584 1.00 53.30 H new ATOM 0 HG3 PRO A 76 5.713 6.585 19.223 1.00 53.30 H new ATOM 0 HD2 PRO A 76 3.283 7.785 18.951 1.00 52.43 H new ATOM 0 HD3 PRO A 76 4.003 6.867 17.643 1.00 52.43 H new ATOM 908 N ASP A 77 1.442 5.343 21.190 1.00 42.24 N ATOM 909 CA ASP A 77 0.743 5.338 22.469 1.00 22.35 C ATOM 910 C ASP A 77 -0.254 4.186 22.539 1.00 75.32 C ATOM 911 O ASP A 77 -1.179 4.199 23.351 1.00 44.51 O ATOM 912 CB ASP A 77 0.021 6.668 22.686 1.00 53.31 C ATOM 913 CG ASP A 77 0.865 7.668 23.451 1.00 45.12 C ATOM 914 OD1 ASP A 77 1.547 7.256 24.413 1.00 74.25 O ATOM 915 OD2 ASP A 77 0.845 8.863 23.088 1.00 12.21 O ATOM 0 H ASP A 77 1.116 6.053 20.534 1.00 42.24 H new ATOM 0 HA ASP A 77 1.483 5.203 23.258 1.00 22.35 H new ATOM 0 HB2 ASP A 77 -0.252 7.092 21.719 1.00 53.31 H new ATOM 0 HB3 ASP A 77 -0.907 6.490 23.229 1.00 53.31 H new ATOM 920 N GLY A 78 -0.061 3.189 21.680 1.00 52.32 N ATOM 921 CA GLY A 78 -0.952 2.044 21.659 1.00 14.23 C ATOM 922 C GLY A 78 -2.057 2.188 20.631 1.00 30.42 C ATOM 923 O GLY A 78 -2.739 1.217 20.301 1.00 32.33 O ATOM 0 H GLY A 78 0.697 3.154 20.998 1.00 52.32 H new ATOM 0 HA2 GLY A 78 -0.376 1.143 21.445 1.00 14.23 H new ATOM 0 HA3 GLY A 78 -1.394 1.913 22.647 1.00 14.23 H new ATOM 927 N THR A 79 -2.237 3.403 20.123 1.00 24.01 N ATOM 928 CA THR A 79 -3.268 3.671 19.129 1.00 41.02 C ATOM 929 C THR A 79 -2.687 3.669 17.720 1.00 43.44 C ATOM 930 O THR A 79 -1.734 4.394 17.430 1.00 73.21 O ATOM 931 CB THR A 79 -3.958 5.024 19.386 1.00 42.02 C ATOM 932 OG1 THR A 79 -4.835 5.341 18.299 1.00 30.22 O ATOM 933 CG2 THR A 79 -2.930 6.132 19.554 1.00 44.52 C ATOM 0 H THR A 79 -1.681 4.218 20.384 1.00 24.01 H new ATOM 0 HA THR A 79 -4.006 2.873 19.216 1.00 41.02 H new ATOM 0 HB THR A 79 -4.536 4.943 20.307 1.00 42.02 H new ATOM 0 HG1 THR A 79 -5.271 6.202 18.471 1.00 30.22 H new ATOM 0 HG21 THR A 79 -3.441 7.078 19.734 1.00 44.52 H new ATOM 0 HG22 THR A 79 -2.282 5.902 20.400 1.00 44.52 H new ATOM 0 HG23 THR A 79 -2.329 6.211 18.648 1.00 44.52 H new ATOM 941 N ARG A 80 -3.266 2.852 16.846 1.00 31.15 N ATOM 942 CA ARG A 80 -2.805 2.756 15.467 1.00 44.21 C ATOM 943 C ARG A 80 -3.984 2.729 14.500 1.00 54.14 C ATOM 944 O ARG A 80 -5.111 2.418 14.886 1.00 21.14 O ATOM 945 CB ARG A 80 -1.948 1.503 15.279 1.00 73.41 C ATOM 946 CG ARG A 80 -1.184 1.094 16.528 1.00 73.03 C ATOM 947 CD ARG A 80 -1.190 -0.415 16.716 1.00 72.14 C ATOM 948 NE ARG A 80 -1.289 -0.791 18.123 1.00 25.04 N ATOM 949 CZ ARG A 80 -0.363 -0.495 19.029 1.00 31.53 C ATOM 950 NH1 ARG A 80 0.724 0.177 18.677 1.00 71.25 N ATOM 951 NH2 ARG A 80 -0.524 -0.872 20.291 1.00 33.14 N ATOM 0 H ARG A 80 -4.056 2.247 17.069 1.00 31.15 H new ATOM 0 HA ARG A 80 -2.200 3.637 15.251 1.00 44.21 H new ATOM 0 HB2 ARG A 80 -2.589 0.678 14.969 1.00 73.41 H new ATOM 0 HB3 ARG A 80 -1.238 1.677 14.470 1.00 73.41 H new ATOM 0 HG2 ARG A 80 -0.156 1.449 16.459 1.00 73.03 H new ATOM 0 HG3 ARG A 80 -1.629 1.572 17.401 1.00 73.03 H new ATOM 0 HD2 ARG A 80 -2.027 -0.845 16.166 1.00 72.14 H new ATOM 0 HD3 ARG A 80 -0.279 -0.837 16.291 1.00 72.14 H new ATOM 0 HE ARG A 80 -2.113 -1.309 18.427 1.00 25.04 H new ATOM 0 HH11 ARG A 80 0.852 0.469 17.708 1.00 71.25 H new ATOM 0 HH12 ARG A 80 1.433 0.402 19.375 1.00 71.25 H new ATOM 0 HH21 ARG A 80 -1.359 -1.389 20.566 1.00 33.14 H new ATOM 0 HH22 ARG A 80 0.187 -0.645 20.986 1.00 33.14 H new ATOM 965 N VAL A 81 -3.718 3.058 13.239 1.00 23.25 N ATOM 966 CA VAL A 81 -4.756 3.071 12.216 1.00 34.44 C ATOM 967 C VAL A 81 -4.452 2.065 11.112 1.00 74.21 C ATOM 968 O VAL A 81 -3.754 2.379 10.149 1.00 73.15 O ATOM 969 CB VAL A 81 -4.912 4.470 11.593 1.00 54.25 C ATOM 970 CG1 VAL A 81 -5.763 4.402 10.333 1.00 22.13 C ATOM 971 CG2 VAL A 81 -5.514 5.438 12.600 1.00 1.21 C ATOM 0 H VAL A 81 -2.791 3.319 12.902 1.00 23.25 H new ATOM 0 HA VAL A 81 -5.689 2.795 12.708 1.00 34.44 H new ATOM 0 HB VAL A 81 -3.924 4.837 11.316 1.00 54.25 H new ATOM 0 HG11 VAL A 81 -5.862 5.400 9.907 1.00 22.13 H new ATOM 0 HG12 VAL A 81 -5.286 3.743 9.607 1.00 22.13 H new ATOM 0 HG13 VAL A 81 -6.751 4.014 10.582 1.00 22.13 H new ATOM 0 HG21 VAL A 81 -5.617 6.422 12.142 1.00 1.21 H new ATOM 0 HG22 VAL A 81 -6.495 5.077 12.910 1.00 1.21 H new ATOM 0 HG23 VAL A 81 -4.862 5.509 13.471 1.00 1.21 H new ATOM 981 N GLU A 82 -4.982 0.854 11.259 1.00 50.40 N ATOM 982 CA GLU A 82 -4.766 -0.198 10.273 1.00 74.01 C ATOM 983 C GLU A 82 -5.740 -0.058 9.106 1.00 34.55 C ATOM 984 O GLU A 82 -6.957 -0.110 9.289 1.00 22.41 O ATOM 985 CB GLU A 82 -4.924 -1.575 10.921 1.00 21.02 C ATOM 986 CG GLU A 82 -4.542 -2.726 10.006 1.00 43.01 C ATOM 987 CD GLU A 82 -4.610 -4.072 10.701 1.00 11.21 C ATOM 988 OE1 GLU A 82 -4.976 -4.106 11.894 1.00 0.15 O ATOM 989 OE2 GLU A 82 -4.298 -5.091 10.051 1.00 62.42 O ATOM 0 H GLU A 82 -5.563 0.578 12.051 1.00 50.40 H new ATOM 0 HA GLU A 82 -3.750 -0.099 9.890 1.00 74.01 H new ATOM 0 HB2 GLU A 82 -4.309 -1.617 11.820 1.00 21.02 H new ATOM 0 HB3 GLU A 82 -5.959 -1.702 11.237 1.00 21.02 H new ATOM 0 HG2 GLU A 82 -5.206 -2.734 9.142 1.00 43.01 H new ATOM 0 HG3 GLU A 82 -3.531 -2.566 9.630 1.00 43.01 H new ATOM 996 N VAL A 83 -5.196 0.120 7.907 1.00 73.42 N ATOM 997 CA VAL A 83 -6.016 0.266 6.710 1.00 43.32 C ATOM 998 C VAL A 83 -6.089 -1.042 5.930 1.00 3.32 C ATOM 999 O VAL A 83 -5.096 -1.493 5.359 1.00 45.23 O ATOM 1000 CB VAL A 83 -5.468 1.371 5.787 1.00 54.40 C ATOM 1001 CG1 VAL A 83 -6.578 1.934 4.911 1.00 3.15 C ATOM 1002 CG2 VAL A 83 -4.814 2.473 6.606 1.00 3.33 C ATOM 0 H VAL A 83 -4.191 0.167 7.738 1.00 73.42 H new ATOM 0 HA VAL A 83 -7.016 0.543 7.043 1.00 43.32 H new ATOM 0 HB VAL A 83 -4.710 0.934 5.137 1.00 54.40 H new ATOM 0 HG11 VAL A 83 -6.172 2.713 4.266 1.00 3.15 H new ATOM 0 HG12 VAL A 83 -6.997 1.137 4.297 1.00 3.15 H new ATOM 0 HG13 VAL A 83 -7.361 2.356 5.542 1.00 3.15 H new ATOM 0 HG21 VAL A 83 -4.432 3.245 5.938 1.00 3.33 H new ATOM 0 HG22 VAL A 83 -5.549 2.909 7.282 1.00 3.33 H new ATOM 0 HG23 VAL A 83 -3.991 2.056 7.186 1.00 3.33 H new ATOM 1012 N HIS A 84 -7.272 -1.647 5.910 1.00 20.22 N ATOM 1013 CA HIS A 84 -7.476 -2.904 5.199 1.00 23.31 C ATOM 1014 C HIS A 84 -7.822 -2.650 3.735 1.00 63.30 C ATOM 1015 O HIS A 84 -8.904 -2.154 3.419 1.00 43.20 O ATOM 1016 CB HIS A 84 -8.587 -3.717 5.864 1.00 0.34 C ATOM 1017 CG HIS A 84 -8.445 -5.195 5.672 1.00 31.33 C ATOM 1018 ND1 HIS A 84 -9.119 -6.122 6.439 1.00 12.13 N ATOM 1019 CD2 HIS A 84 -7.702 -5.906 4.792 1.00 30.55 C ATOM 1020 CE1 HIS A 84 -8.796 -7.339 6.041 1.00 64.13 C ATOM 1021 NE2 HIS A 84 -7.937 -7.236 5.042 1.00 33.11 N ATOM 0 H HIS A 84 -8.104 -1.287 6.378 1.00 20.22 H new ATOM 0 HA HIS A 84 -6.546 -3.471 5.241 1.00 23.31 H new ATOM 0 HB2 HIS A 84 -8.598 -3.497 6.932 1.00 0.34 H new ATOM 0 HB3 HIS A 84 -9.549 -3.398 5.463 1.00 0.34 H new ATOM 0 HD1 HIS A 84 -9.766 -5.902 7.196 1.00 12.13 H new ATOM 0 HD2 HIS A 84 -7.046 -5.503 4.034 1.00 30.55 H new ATOM 0 HE1 HIS A 84 -9.170 -8.261 6.460 1.00 64.13 H new ATOM 1029 N LEU A 85 -6.896 -2.993 2.846 1.00 74.15 N ATOM 1030 CA LEU A 85 -7.103 -2.802 1.414 1.00 11.32 C ATOM 1031 C LEU A 85 -6.845 -4.096 0.649 1.00 54.20 C ATOM 1032 O LEU A 85 -5.796 -4.721 0.802 1.00 2.21 O ATOM 1033 CB LEU A 85 -6.187 -1.695 0.890 1.00 5.21 C ATOM 1034 CG LEU A 85 -6.714 -0.266 1.027 1.00 24.00 C ATOM 1035 CD1 LEU A 85 -7.764 0.020 -0.035 1.00 61.41 C ATOM 1036 CD2 LEU A 85 -7.285 -0.039 2.419 1.00 21.51 C ATOM 0 H LEU A 85 -5.995 -3.404 3.091 1.00 74.15 H new ATOM 0 HA LEU A 85 -8.142 -2.510 1.258 1.00 11.32 H new ATOM 0 HB2 LEU A 85 -5.234 -1.761 1.415 1.00 5.21 H new ATOM 0 HB3 LEU A 85 -5.985 -1.887 -0.164 1.00 5.21 H new ATOM 0 HG LEU A 85 -5.882 0.423 0.881 1.00 24.00 H new ATOM 0 HD11 LEU A 85 -8.127 1.041 0.078 1.00 61.41 H new ATOM 0 HD12 LEU A 85 -7.323 -0.101 -1.024 1.00 61.41 H new ATOM 0 HD13 LEU A 85 -8.595 -0.676 0.079 1.00 61.41 H new ATOM 0 HD21 LEU A 85 -7.655 0.983 2.498 1.00 21.51 H new ATOM 0 HD22 LEU A 85 -8.104 -0.736 2.594 1.00 21.51 H new ATOM 0 HD23 LEU A 85 -6.505 -0.201 3.163 1.00 21.51 H new ATOM 1048 N ASP A 86 -7.809 -4.491 -0.176 1.00 43.11 N ATOM 1049 CA ASP A 86 -7.685 -5.709 -0.968 1.00 40.14 C ATOM 1050 C ASP A 86 -8.138 -5.471 -2.406 1.00 3.35 C ATOM 1051 O ASP A 86 -9.196 -4.889 -2.645 1.00 3.40 O ATOM 1052 CB ASP A 86 -8.507 -6.836 -0.342 1.00 33.13 C ATOM 1053 CG ASP A 86 -7.939 -8.207 -0.649 1.00 63.42 C ATOM 1054 OD1 ASP A 86 -7.015 -8.292 -1.485 1.00 20.41 O ATOM 1055 OD2 ASP A 86 -8.418 -9.196 -0.055 1.00 11.22 O ATOM 0 H ASP A 86 -8.684 -3.986 -0.313 1.00 43.11 H new ATOM 0 HA ASP A 86 -6.634 -5.999 -0.980 1.00 40.14 H new ATOM 0 HB2 ASP A 86 -8.546 -6.696 0.738 1.00 33.13 H new ATOM 0 HB3 ASP A 86 -9.532 -6.780 -0.708 1.00 33.13 H new ATOM 1060 N ARG A 87 -7.329 -5.924 -3.358 1.00 50.50 N ATOM 1061 CA ARG A 87 -7.645 -5.758 -4.771 1.00 53.55 C ATOM 1062 C ARG A 87 -8.989 -6.399 -5.107 1.00 2.51 C ATOM 1063 O ARG A 87 -9.414 -6.404 -6.262 1.00 52.12 O ATOM 1064 CB ARG A 87 -6.545 -6.372 -5.638 1.00 25.11 C ATOM 1065 CG ARG A 87 -6.742 -6.142 -7.127 1.00 43.53 C ATOM 1066 CD ARG A 87 -7.187 -7.413 -7.834 1.00 3.44 C ATOM 1067 NE ARG A 87 -7.620 -7.154 -9.204 1.00 64.23 N ATOM 1068 CZ ARG A 87 -7.775 -8.106 -10.118 1.00 20.13 C ATOM 1069 NH1 ARG A 87 -7.534 -9.373 -9.808 1.00 15.53 N ATOM 1070 NH2 ARG A 87 -8.172 -7.792 -11.344 1.00 52.11 N ATOM 0 H ARG A 87 -6.450 -6.409 -3.176 1.00 50.50 H new ATOM 0 HA ARG A 87 -7.709 -4.690 -4.979 1.00 53.55 H new ATOM 0 HB2 ARG A 87 -5.583 -5.955 -5.339 1.00 25.11 H new ATOM 0 HB3 ARG A 87 -6.500 -7.444 -5.448 1.00 25.11 H new ATOM 0 HG2 ARG A 87 -7.486 -5.360 -7.280 1.00 43.53 H new ATOM 0 HG3 ARG A 87 -5.811 -5.787 -7.568 1.00 43.53 H new ATOM 0 HD2 ARG A 87 -6.366 -8.129 -7.843 1.00 3.44 H new ATOM 0 HD3 ARG A 87 -8.004 -7.871 -7.276 1.00 3.44 H new ATOM 0 HE ARG A 87 -7.814 -6.190 -9.474 1.00 64.23 H new ATOM 0 HH11 ARG A 87 -7.229 -9.618 -8.866 1.00 15.53 H new ATOM 0 HH12 ARG A 87 -7.654 -10.102 -10.511 1.00 15.53 H new ATOM 0 HH21 ARG A 87 -8.359 -6.819 -11.586 1.00 52.11 H new ATOM 0 HH22 ARG A 87 -8.291 -8.524 -12.045 1.00 52.11 H new ATOM 1084 N ASP A 88 -9.651 -6.938 -4.090 1.00 13.04 N ATOM 1085 CA ASP A 88 -10.947 -7.581 -4.276 1.00 23.30 C ATOM 1086 C ASP A 88 -12.007 -6.561 -4.678 1.00 73.10 C ATOM 1087 O ASP A 88 -13.150 -6.918 -4.964 1.00 72.35 O ATOM 1088 CB ASP A 88 -11.372 -8.300 -2.995 1.00 12.24 C ATOM 1089 CG ASP A 88 -12.057 -9.623 -3.273 1.00 71.41 C ATOM 1090 OD1 ASP A 88 -12.364 -9.897 -4.453 1.00 4.53 O ATOM 1091 OD2 ASP A 88 -12.286 -10.386 -2.312 1.00 22.44 O ATOM 0 H ASP A 88 -9.312 -6.943 -3.128 1.00 13.04 H new ATOM 0 HA ASP A 88 -10.850 -8.312 -5.078 1.00 23.30 H new ATOM 0 HB2 ASP A 88 -10.495 -8.472 -2.371 1.00 12.24 H new ATOM 0 HB3 ASP A 88 -12.046 -7.658 -2.428 1.00 12.24 H new ATOM 1096 N PHE A 89 -11.621 -5.290 -4.696 1.00 52.31 N ATOM 1097 CA PHE A 89 -12.539 -4.217 -5.061 1.00 32.01 C ATOM 1098 C PHE A 89 -13.624 -4.045 -4.001 1.00 65.31 C ATOM 1099 O PHE A 89 -14.617 -3.352 -4.221 1.00 31.50 O ATOM 1100 CB PHE A 89 -13.180 -4.506 -6.420 1.00 41.41 C ATOM 1101 CG PHE A 89 -12.201 -4.983 -7.455 1.00 14.32 C ATOM 1102 CD1 PHE A 89 -11.164 -4.166 -7.875 1.00 70.12 C ATOM 1103 CD2 PHE A 89 -12.319 -6.248 -8.008 1.00 13.24 C ATOM 1104 CE1 PHE A 89 -10.262 -4.602 -8.827 1.00 24.20 C ATOM 1105 CE2 PHE A 89 -11.420 -6.689 -8.959 1.00 63.53 C ATOM 1106 CZ PHE A 89 -10.390 -5.865 -9.370 1.00 74.34 C ATOM 0 H PHE A 89 -10.679 -4.977 -4.462 1.00 52.31 H new ATOM 0 HA PHE A 89 -11.968 -3.291 -5.125 1.00 32.01 H new ATOM 0 HB2 PHE A 89 -13.958 -5.259 -6.293 1.00 41.41 H new ATOM 0 HB3 PHE A 89 -13.668 -3.601 -6.783 1.00 41.41 H new ATOM 0 HD1 PHE A 89 -11.059 -3.177 -7.454 1.00 70.12 H new ATOM 0 HD2 PHE A 89 -13.123 -6.896 -7.692 1.00 13.24 H new ATOM 0 HE1 PHE A 89 -9.458 -3.955 -9.146 1.00 24.20 H new ATOM 0 HE2 PHE A 89 -11.522 -7.678 -9.381 1.00 63.53 H new ATOM 0 HZ PHE A 89 -9.687 -6.208 -10.114 1.00 74.34 H new ATOM 1116 N ARG A 90 -13.425 -4.682 -2.851 1.00 41.44 N ATOM 1117 CA ARG A 90 -14.386 -4.601 -1.758 1.00 24.32 C ATOM 1118 C ARG A 90 -13.676 -4.378 -0.426 1.00 3.13 C ATOM 1119 O ARG A 90 -14.316 -4.260 0.619 1.00 11.21 O ATOM 1120 CB ARG A 90 -15.225 -5.879 -1.693 1.00 5.12 C ATOM 1121 CG ARG A 90 -16.628 -5.715 -2.254 1.00 65.52 C ATOM 1122 CD ARG A 90 -17.423 -4.681 -1.474 1.00 1.15 C ATOM 1123 NE ARG A 90 -18.861 -4.926 -1.548 1.00 3.23 N ATOM 1124 CZ ARG A 90 -19.776 -4.072 -1.102 1.00 24.11 C ATOM 1125 NH1 ARG A 90 -19.404 -2.924 -0.553 1.00 40.33 N ATOM 1126 NH2 ARG A 90 -21.065 -4.366 -1.205 1.00 34.31 N ATOM 0 H ARG A 90 -12.608 -5.259 -2.653 1.00 41.44 H new ATOM 0 HA ARG A 90 -15.043 -3.752 -1.947 1.00 24.32 H new ATOM 0 HB2 ARG A 90 -14.713 -6.668 -2.243 1.00 5.12 H new ATOM 0 HB3 ARG A 90 -15.293 -6.206 -0.656 1.00 5.12 H new ATOM 0 HG2 ARG A 90 -16.570 -5.417 -3.301 1.00 65.52 H new ATOM 0 HG3 ARG A 90 -17.147 -6.673 -2.224 1.00 65.52 H new ATOM 0 HD2 ARG A 90 -17.107 -4.692 -0.431 1.00 1.15 H new ATOM 0 HD3 ARG A 90 -17.204 -3.687 -1.863 1.00 1.15 H new ATOM 0 HE ARG A 90 -19.180 -5.800 -1.965 1.00 3.23 H new ATOM 0 HH11 ARG A 90 -18.413 -2.695 -0.472 1.00 40.33 H new ATOM 0 HH12 ARG A 90 -20.108 -2.270 -0.211 1.00 40.33 H new ATOM 0 HH21 ARG A 90 -21.355 -5.248 -1.627 1.00 34.31 H new ATOM 0 HH22 ARG A 90 -21.767 -3.710 -0.862 1.00 34.31 H new ATOM 1140 N VAL A 91 -12.348 -4.322 -0.470 1.00 53.45 N ATOM 1141 CA VAL A 91 -11.551 -4.112 0.732 1.00 10.01 C ATOM 1142 C VAL A 91 -10.776 -2.802 0.656 1.00 45.42 C ATOM 1143 O VAL A 91 -9.664 -2.755 0.126 1.00 13.13 O ATOM 1144 CB VAL A 91 -10.560 -5.270 0.958 1.00 54.34 C ATOM 1145 CG1 VAL A 91 -9.683 -4.993 2.169 1.00 63.33 C ATOM 1146 CG2 VAL A 91 -11.307 -6.585 1.119 1.00 61.31 C ATOM 0 H VAL A 91 -11.802 -4.419 -1.326 1.00 53.45 H new ATOM 0 HA VAL A 91 -12.247 -4.071 1.570 1.00 10.01 H new ATOM 0 HB VAL A 91 -9.915 -5.350 0.083 1.00 54.34 H new ATOM 0 HG11 VAL A 91 -8.989 -5.821 2.313 1.00 63.33 H new ATOM 0 HG12 VAL A 91 -9.121 -4.073 2.008 1.00 63.33 H new ATOM 0 HG13 VAL A 91 -10.309 -4.886 3.055 1.00 63.33 H new ATOM 0 HG21 VAL A 91 -10.592 -7.392 1.278 1.00 61.31 H new ATOM 0 HG22 VAL A 91 -11.977 -6.520 1.976 1.00 61.31 H new ATOM 0 HG23 VAL A 91 -11.888 -6.786 0.219 1.00 61.31 H new ATOM 1156 N LEU A 92 -11.368 -1.738 1.188 1.00 22.41 N ATOM 1157 CA LEU A 92 -10.732 -0.425 1.181 1.00 34.24 C ATOM 1158 C LEU A 92 -11.058 0.344 2.458 1.00 73.14 C ATOM 1159 O LEU A 92 -10.845 1.554 2.537 1.00 61.13 O ATOM 1160 CB LEU A 92 -11.185 0.376 -0.040 1.00 54.13 C ATOM 1161 CG LEU A 92 -10.827 -0.218 -1.403 1.00 55.01 C ATOM 1162 CD1 LEU A 92 -11.916 -1.170 -1.873 1.00 32.21 C ATOM 1163 CD2 LEU A 92 -10.606 0.887 -2.425 1.00 43.51 C ATOM 0 H LEU A 92 -12.287 -1.759 1.630 1.00 22.41 H new ATOM 0 HA LEU A 92 -9.653 -0.571 1.132 1.00 34.24 H new ATOM 0 HB2 LEU A 92 -12.267 0.494 0.009 1.00 54.13 H new ATOM 0 HB3 LEU A 92 -10.752 1.374 0.024 1.00 54.13 H new ATOM 0 HG LEU A 92 -9.900 -0.781 -1.300 1.00 55.01 H new ATOM 0 HD11 LEU A 92 -11.644 -1.583 -2.844 1.00 32.21 H new ATOM 0 HD12 LEU A 92 -12.027 -1.980 -1.152 1.00 32.21 H new ATOM 0 HD13 LEU A 92 -12.859 -0.630 -1.959 1.00 32.21 H new ATOM 0 HD21 LEU A 92 -10.352 0.446 -3.389 1.00 43.51 H new ATOM 0 HD22 LEU A 92 -11.517 1.478 -2.525 1.00 43.51 H new ATOM 0 HD23 LEU A 92 -9.791 1.530 -2.095 1.00 43.51 H new ATOM 1175 N ASP A 93 -11.574 -0.366 3.455 1.00 71.33 N ATOM 1176 CA ASP A 93 -11.926 0.249 4.729 1.00 33.32 C ATOM 1177 C ASP A 93 -10.789 0.103 5.736 1.00 51.25 C ATOM 1178 O ASP A 93 -10.175 -0.958 5.846 1.00 21.52 O ATOM 1179 CB ASP A 93 -13.203 -0.382 5.289 1.00 44.25 C ATOM 1180 CG ASP A 93 -14.283 0.646 5.566 1.00 65.55 C ATOM 1181 OD1 ASP A 93 -14.048 1.542 6.403 1.00 13.11 O ATOM 1182 OD2 ASP A 93 -15.362 0.554 4.944 1.00 24.42 O ATOM 0 H ASP A 93 -11.758 -1.368 3.405 1.00 71.33 H new ATOM 0 HA ASP A 93 -12.100 1.311 4.555 1.00 33.32 H new ATOM 0 HB2 ASP A 93 -13.581 -1.120 4.581 1.00 44.25 H new ATOM 0 HB3 ASP A 93 -12.968 -0.915 6.210 1.00 44.25 H new ATOM 1187 N THR A 94 -10.512 1.178 6.468 1.00 72.14 N ATOM 1188 CA THR A 94 -9.448 1.171 7.463 1.00 43.10 C ATOM 1189 C THR A 94 -9.999 0.890 8.856 1.00 13.40 C ATOM 1190 O THR A 94 -10.960 1.524 9.292 1.00 43.10 O ATOM 1191 CB THR A 94 -8.690 2.512 7.484 1.00 64.21 C ATOM 1192 OG1 THR A 94 -8.775 3.102 8.786 1.00 45.33 O ATOM 1193 CG2 THR A 94 -9.257 3.471 6.448 1.00 34.35 C ATOM 0 H THR A 94 -11.010 2.064 6.390 1.00 72.14 H new ATOM 0 HA THR A 94 -8.758 0.376 7.182 1.00 43.10 H new ATOM 0 HB THR A 94 -7.645 2.318 7.241 1.00 64.21 H new ATOM 0 HG1 THR A 94 -8.289 3.953 8.792 1.00 45.33 H new ATOM 0 HG21 THR A 94 -8.706 4.411 6.482 1.00 34.35 H new ATOM 0 HG22 THR A 94 -9.163 3.031 5.455 1.00 34.35 H new ATOM 0 HG23 THR A 94 -10.309 3.659 6.664 1.00 34.35 H new ATOM 1201 N GLU A 95 -9.385 -0.063 9.550 1.00 40.22 N ATOM 1202 CA GLU A 95 -9.816 -0.426 10.894 1.00 33.55 C ATOM 1203 C GLU A 95 -8.924 0.225 11.947 1.00 51.40 C ATOM 1204 O GLU A 95 -7.699 0.109 11.916 1.00 3.55 O ATOM 1205 CB GLU A 95 -9.799 -1.947 11.066 1.00 42.10 C ATOM 1206 CG GLU A 95 -10.156 -2.405 12.470 1.00 73.22 C ATOM 1207 CD GLU A 95 -10.172 -3.915 12.604 1.00 35.51 C ATOM 1208 OE1 GLU A 95 -10.272 -4.602 11.565 1.00 14.33 O ATOM 1209 OE2 GLU A 95 -10.086 -4.411 13.747 1.00 65.12 O ATOM 0 H GLU A 95 -8.588 -0.597 9.204 1.00 40.22 H new ATOM 0 HA GLU A 95 -10.835 -0.063 11.031 1.00 33.55 H new ATOM 0 HB2 GLU A 95 -10.499 -2.392 10.359 1.00 42.10 H new ATOM 0 HB3 GLU A 95 -8.808 -2.322 10.812 1.00 42.10 H new ATOM 0 HG2 GLU A 95 -9.439 -1.989 13.177 1.00 73.22 H new ATOM 0 HG3 GLU A 95 -11.135 -2.010 12.739 1.00 73.22 H new ATOM 1216 N PRO A 96 -9.552 0.928 12.901 1.00 11.41 N ATOM 1217 CA PRO A 96 -8.835 1.613 13.981 1.00 33.02 C ATOM 1218 C PRO A 96 -8.212 0.637 14.973 1.00 34.23 C ATOM 1219 O PRO A 96 -8.920 -0.087 15.674 1.00 43.32 O ATOM 1220 CB PRO A 96 -9.927 2.443 14.661 1.00 32.33 C ATOM 1221 CG PRO A 96 -11.195 1.720 14.361 1.00 63.12 C ATOM 1222 CD PRO A 96 -11.010 1.109 12.999 1.00 32.23 C ATOM 0 HA PRO A 96 -8.002 2.206 13.605 1.00 33.02 H new ATOM 0 HB2 PRO A 96 -9.758 2.516 15.735 1.00 32.33 H new ATOM 0 HB3 PRO A 96 -9.950 3.461 14.272 1.00 32.33 H new ATOM 0 HG2 PRO A 96 -11.393 0.953 15.109 1.00 63.12 H new ATOM 0 HG3 PRO A 96 -12.045 2.402 14.371 1.00 63.12 H new ATOM 0 HD2 PRO A 96 -11.540 0.161 12.909 1.00 32.23 H new ATOM 0 HD3 PRO A 96 -11.388 1.761 12.211 1.00 32.23 H new ATOM 1230 N ALA A 97 -6.885 0.622 15.028 1.00 44.42 N ATOM 1231 CA ALA A 97 -6.167 -0.263 15.936 1.00 20.32 C ATOM 1232 C ALA A 97 -6.456 0.091 17.391 1.00 42.20 C ATOM 1233 O ALA A 97 -6.090 1.168 17.862 1.00 42.33 O ATOM 1234 CB ALA A 97 -4.672 -0.201 15.663 1.00 44.24 C ATOM 0 H ALA A 97 -6.285 1.214 14.454 1.00 44.42 H new ATOM 0 HA ALA A 97 -6.515 -1.281 15.761 1.00 20.32 H new ATOM 0 HB1 ALA A 97 -4.149 -0.867 16.349 1.00 44.24 H new ATOM 0 HB2 ALA A 97 -4.476 -0.511 14.636 1.00 44.24 H new ATOM 0 HB3 ALA A 97 -4.318 0.820 15.808 1.00 44.24 H new ATOM 1240 N ASP A 98 -7.115 -0.821 18.098 1.00 45.44 N ATOM 1241 CA ASP A 98 -7.452 -0.604 19.500 1.00 53.04 C ATOM 1242 C ASP A 98 -6.311 -1.049 20.409 1.00 60.44 C ATOM 1243 O ASP A 98 -6.492 -1.211 21.615 1.00 65.43 O ATOM 1244 CB ASP A 98 -8.733 -1.359 19.860 1.00 5.04 C ATOM 1245 CG ASP A 98 -9.884 -0.426 20.182 1.00 64.31 C ATOM 1246 OD1 ASP A 98 -9.647 0.596 20.858 1.00 41.51 O ATOM 1247 OD2 ASP A 98 -11.021 -0.719 19.758 1.00 35.43 O ATOM 0 H ASP A 98 -7.426 -1.717 17.723 1.00 45.44 H new ATOM 0 HA ASP A 98 -7.614 0.464 19.649 1.00 53.04 H new ATOM 0 HB2 ASP A 98 -9.015 -2.006 19.030 1.00 5.04 H new ATOM 0 HB3 ASP A 98 -8.542 -2.005 20.717 1.00 5.04 H new ATOM 1252 N GLY A 99 -5.135 -1.247 19.820 1.00 20.03 N ATOM 1253 CA GLY A 99 -3.982 -1.673 20.592 1.00 60.24 C ATOM 1254 C GLY A 99 -4.033 -3.146 20.945 1.00 71.41 C ATOM 1255 O GLY A 99 -3.005 -3.758 21.236 1.00 40.02 O ATOM 0 H GLY A 99 -4.961 -1.120 18.823 1.00 20.03 H new ATOM 0 HA2 GLY A 99 -3.074 -1.470 20.025 1.00 60.24 H new ATOM 0 HA3 GLY A 99 -3.924 -1.085 21.508 1.00 60.24 H new ATOM 1259 N ASP A 100 -5.232 -3.717 20.921 1.00 33.35 N ATOM 1260 CA ASP A 100 -5.414 -5.128 21.242 1.00 22.35 C ATOM 1261 C ASP A 100 -5.480 -5.970 19.972 1.00 33.42 C ATOM 1262 O ASP A 100 -4.954 -7.081 19.924 1.00 72.45 O ATOM 1263 CB ASP A 100 -6.686 -5.326 22.068 1.00 54.05 C ATOM 1264 CG ASP A 100 -6.453 -5.118 23.551 1.00 63.20 C ATOM 1265 OD1 ASP A 100 -5.540 -4.343 23.905 1.00 62.25 O ATOM 1266 OD2 ASP A 100 -7.182 -5.731 24.358 1.00 32.35 O ATOM 0 H ASP A 100 -6.093 -3.224 20.683 1.00 33.35 H new ATOM 0 HA ASP A 100 -4.556 -5.455 21.829 1.00 22.35 H new ATOM 0 HB2 ASP A 100 -7.451 -4.631 21.723 1.00 54.05 H new ATOM 0 HB3 ASP A 100 -7.071 -6.332 21.901 1.00 54.05 H new ATOM 1271 N GLY A 101 -6.132 -5.433 18.945 1.00 32.13 N ATOM 1272 CA GLY A 101 -6.257 -6.149 17.689 1.00 22.22 C ATOM 1273 C GLY A 101 -7.442 -7.094 17.676 1.00 62.33 C ATOM 1274 O GLY A 101 -7.318 -8.251 17.276 1.00 25.21 O ATOM 0 H GLY A 101 -6.576 -4.515 18.961 1.00 32.13 H new ATOM 0 HA2 GLY A 101 -6.359 -5.432 16.874 1.00 22.22 H new ATOM 0 HA3 GLY A 101 -5.343 -6.714 17.504 1.00 22.22 H new ATOM 1278 N GLY A 102 -8.596 -6.601 18.116 1.00 65.13 N ATOM 1279 CA GLY A 102 -9.791 -7.424 18.146 1.00 44.21 C ATOM 1280 C GLY A 102 -9.815 -8.367 19.332 1.00 33.12 C ATOM 1281 O GLY A 102 -8.922 -8.334 20.179 1.00 55.51 O ATOM 0 H GLY A 102 -8.724 -5.647 18.452 1.00 65.13 H new ATOM 0 HA2 GLY A 102 -10.671 -6.781 18.179 1.00 44.21 H new ATOM 0 HA3 GLY A 102 -9.853 -8.003 17.224 1.00 44.21 H new