USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= -0.757 X(o=-10,f=-10) USER MOD Set 1.2: A 94 THR OG1 : rot 178:sc= -9.51! USER MOD Single : A 12 TYR OH : rot 161:sc= 1.22 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0698 USER MOD Single : A 17 THR OG1 : rot -140:sc= -1.38! USER MOD Single : A 19 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.2) USER MOD Single : A 21 TYR OH : rot -77:sc= 1.87 USER MOD Single : A 23 GLN : amide:sc= -1.14 K(o=-1.1,f=-4!) USER MOD Single : A 26 MET CE :methyl -152:sc= -0.243 (180deg=-1.3) USER MOD Single : A 35 THR OG1 : rot 147:sc= -4.35! USER MOD Single : A 48 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.7) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0662 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 159:sc= -1.28 USER MOD Single : A 74 THR OG1 : rot -47:sc= -2.85! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 0.268 0.507 -0.838 1.00 21.31 N ATOM 2 CA ASP A 11 0.031 0.706 -2.263 1.00 44.20 C ATOM 3 C ASP A 11 0.243 -0.592 -3.036 1.00 4.20 C ATOM 4 O ASP A 11 -0.020 -0.661 -4.237 1.00 25.12 O ATOM 5 CB ASP A 11 0.956 1.796 -2.808 1.00 23.32 C ATOM 6 CG ASP A 11 0.359 2.521 -3.997 1.00 54.04 C ATOM 7 OD1 ASP A 11 -0.586 1.979 -4.610 1.00 3.42 O ATOM 8 OD2 ASP A 11 0.835 3.631 -4.315 1.00 75.34 O ATOM 0 HA ASP A 11 -1.005 1.020 -2.394 1.00 44.20 H new ATOM 0 HB2 ASP A 11 1.170 2.515 -2.018 1.00 23.32 H new ATOM 0 HB3 ASP A 11 1.907 1.350 -3.099 1.00 23.32 H new ATOM 13 N TYR A 12 0.721 -1.617 -2.340 1.00 22.30 N ATOM 14 CA TYR A 12 0.972 -2.912 -2.962 1.00 21.25 C ATOM 15 C TYR A 12 -0.326 -3.537 -3.463 1.00 15.24 C ATOM 16 O TYR A 12 -0.316 -4.389 -4.351 1.00 53.45 O ATOM 17 CB TYR A 12 1.654 -3.855 -1.968 1.00 43.54 C ATOM 18 CG TYR A 12 2.908 -3.278 -1.351 1.00 25.53 C ATOM 19 CD1 TYR A 12 4.082 -3.171 -2.087 1.00 3.34 C ATOM 20 CD2 TYR A 12 2.920 -2.843 -0.031 1.00 62.05 C ATOM 21 CE1 TYR A 12 5.231 -2.646 -1.526 1.00 52.34 C ATOM 22 CE2 TYR A 12 4.064 -2.315 0.536 1.00 35.44 C ATOM 23 CZ TYR A 12 5.216 -2.219 -0.215 1.00 23.02 C ATOM 24 OH TYR A 12 6.358 -1.695 0.348 1.00 73.33 O ATOM 0 H TYR A 12 0.942 -1.577 -1.345 1.00 22.30 H new ATOM 0 HA TYR A 12 1.631 -2.754 -3.816 1.00 21.25 H new ATOM 0 HB2 TYR A 12 0.950 -4.104 -1.174 1.00 43.54 H new ATOM 0 HB3 TYR A 12 1.904 -4.786 -2.476 1.00 43.54 H new ATOM 0 HD1 TYR A 12 4.097 -3.504 -3.114 1.00 3.34 H new ATOM 0 HD2 TYR A 12 2.020 -2.919 0.561 1.00 62.05 H new ATOM 0 HE1 TYR A 12 6.136 -2.571 -2.111 1.00 52.34 H new ATOM 0 HE2 TYR A 12 4.056 -1.979 1.562 1.00 35.44 H new ATOM 0 HH TYR A 12 6.121 -1.174 1.144 1.00 73.33 H new ATOM 34 N ASP A 13 -1.443 -3.106 -2.886 1.00 71.30 N ATOM 35 CA ASP A 13 -2.751 -3.621 -3.274 1.00 14.30 C ATOM 36 C ASP A 13 -3.102 -3.197 -4.697 1.00 1.22 C ATOM 37 O ASP A 13 -2.348 -3.455 -5.635 1.00 62.23 O ATOM 38 CB ASP A 13 -3.825 -3.128 -2.303 1.00 33.24 C ATOM 39 CG ASP A 13 -5.120 -3.907 -2.428 1.00 0.04 C ATOM 40 OD1 ASP A 13 -5.165 -5.064 -1.959 1.00 4.13 O ATOM 41 OD2 ASP A 13 -6.089 -3.359 -2.993 1.00 60.33 O ATOM 0 H ASP A 13 -1.469 -2.402 -2.149 1.00 71.30 H new ATOM 0 HA ASP A 13 -2.711 -4.710 -3.238 1.00 14.30 H new ATOM 0 HB2 ASP A 13 -3.453 -3.209 -1.282 1.00 33.24 H new ATOM 0 HB3 ASP A 13 -4.020 -2.072 -2.488 1.00 33.24 H new ATOM 46 N ILE A 14 -4.250 -2.546 -4.849 1.00 34.21 N ATOM 47 CA ILE A 14 -4.700 -2.087 -6.157 1.00 52.11 C ATOM 48 C ILE A 14 -4.237 -0.660 -6.428 1.00 0.52 C ATOM 49 O ILE A 14 -4.260 0.204 -5.550 1.00 63.14 O ATOM 50 CB ILE A 14 -6.234 -2.149 -6.278 1.00 53.54 C ATOM 51 CG1 ILE A 14 -6.671 -1.770 -7.695 1.00 72.32 C ATOM 52 CG2 ILE A 14 -6.884 -1.229 -5.255 1.00 21.52 C ATOM 53 CD1 ILE A 14 -8.159 -1.531 -7.825 1.00 11.10 C ATOM 0 H ILE A 14 -4.885 -2.325 -4.083 1.00 34.21 H new ATOM 0 HA ILE A 14 -4.258 -2.756 -6.895 1.00 52.11 H new ATOM 0 HB ILE A 14 -6.558 -3.170 -6.078 1.00 53.54 H new ATOM 0 HG12 ILE A 14 -6.138 -0.870 -8.002 1.00 72.32 H new ATOM 0 HG13 ILE A 14 -6.377 -2.564 -8.382 1.00 72.32 H new ATOM 0 HG21 ILE A 14 -7.968 -1.284 -5.353 1.00 21.52 H new ATOM 0 HG22 ILE A 14 -6.594 -1.539 -4.251 1.00 21.52 H new ATOM 0 HG23 ILE A 14 -6.556 -0.204 -5.427 1.00 21.52 H new ATOM 0 HD11 ILE A 14 -8.396 -1.267 -8.855 1.00 11.10 H new ATOM 0 HD12 ILE A 14 -8.699 -2.437 -7.549 1.00 11.10 H new ATOM 0 HD13 ILE A 14 -8.456 -0.717 -7.164 1.00 11.10 H new ATOM 65 N PRO A 15 -3.808 -0.403 -7.672 1.00 43.23 N ATOM 66 CA PRO A 15 -3.333 0.920 -8.089 1.00 11.22 C ATOM 67 C PRO A 15 -4.461 1.944 -8.161 1.00 44.23 C ATOM 68 O PRO A 15 -4.364 2.941 -8.879 1.00 30.53 O ATOM 69 CB PRO A 15 -2.751 0.666 -9.482 1.00 33.04 C ATOM 70 CG PRO A 15 -3.474 -0.538 -9.980 1.00 43.20 C ATOM 71 CD PRO A 15 -3.753 -1.384 -8.769 1.00 31.01 C ATOM 0 HA PRO A 15 -2.615 1.337 -7.382 1.00 11.22 H new ATOM 0 HB2 PRO A 15 -2.908 1.522 -10.139 1.00 33.04 H new ATOM 0 HB3 PRO A 15 -1.676 0.492 -9.436 1.00 33.04 H new ATOM 0 HG2 PRO A 15 -4.400 -0.257 -10.482 1.00 43.20 H new ATOM 0 HG3 PRO A 15 -2.871 -1.083 -10.706 1.00 43.20 H new ATOM 0 HD2 PRO A 15 -4.692 -1.929 -8.868 1.00 31.01 H new ATOM 0 HD3 PRO A 15 -2.970 -2.124 -8.607 1.00 31.01 H new ATOM 79 N THR A 16 -5.531 1.693 -7.413 1.00 42.53 N ATOM 80 CA THR A 16 -6.677 2.593 -7.393 1.00 52.14 C ATOM 81 C THR A 16 -7.400 2.533 -6.053 1.00 33.32 C ATOM 82 O THR A 16 -8.628 2.605 -5.993 1.00 53.35 O ATOM 83 CB THR A 16 -7.675 2.257 -8.518 1.00 20.44 C ATOM 84 OG1 THR A 16 -7.037 1.450 -9.514 1.00 21.44 O ATOM 85 CG2 THR A 16 -8.218 3.526 -9.157 1.00 63.32 C ATOM 0 H THR A 16 -5.628 0.874 -6.813 1.00 42.53 H new ATOM 0 HA THR A 16 -6.291 3.600 -7.549 1.00 52.14 H new ATOM 0 HB THR A 16 -8.507 1.704 -8.082 1.00 20.44 H new ATOM 0 HG1 THR A 16 -7.678 1.240 -10.225 1.00 21.44 H new ATOM 0 HG21 THR A 16 -8.920 3.263 -9.948 1.00 63.32 H new ATOM 0 HG22 THR A 16 -8.729 4.124 -8.402 1.00 63.32 H new ATOM 0 HG23 THR A 16 -7.394 4.102 -9.579 1.00 63.32 H new ATOM 93 N THR A 17 -6.631 2.400 -4.976 1.00 75.13 N ATOM 94 CA THR A 17 -7.199 2.329 -3.636 1.00 10.42 C ATOM 95 C THR A 17 -7.846 3.652 -3.242 1.00 51.33 C ATOM 96 O THR A 17 -8.080 4.515 -4.088 1.00 62.44 O ATOM 97 CB THR A 17 -6.128 1.964 -2.591 1.00 20.12 C ATOM 98 OG1 THR A 17 -5.085 2.945 -2.594 1.00 52.33 O ATOM 99 CG2 THR A 17 -5.540 0.590 -2.876 1.00 44.54 C ATOM 0 H THR A 17 -5.613 2.339 -5.006 1.00 75.13 H new ATOM 0 HA THR A 17 -7.959 1.548 -3.656 1.00 10.42 H new ATOM 0 HB THR A 17 -6.602 1.942 -1.610 1.00 20.12 H new ATOM 0 HG1 THR A 17 -4.218 2.501 -2.492 1.00 52.33 H new ATOM 0 HG21 THR A 17 -4.786 0.354 -2.125 1.00 44.54 H new ATOM 0 HG22 THR A 17 -6.332 -0.159 -2.843 1.00 44.54 H new ATOM 0 HG23 THR A 17 -5.080 0.589 -3.864 1.00 44.54 H new ATOM 107 N GLU A 18 -8.132 3.806 -1.953 1.00 74.42 N ATOM 108 CA GLU A 18 -8.753 5.025 -1.449 1.00 20.11 C ATOM 109 C GLU A 18 -7.901 5.655 -0.351 1.00 11.02 C ATOM 110 O GLU A 18 -7.068 6.521 -0.617 1.00 33.45 O ATOM 111 CB GLU A 18 -10.155 4.726 -0.914 1.00 11.41 C ATOM 112 CG GLU A 18 -11.152 4.347 -1.996 1.00 43.33 C ATOM 113 CD GLU A 18 -12.476 5.072 -1.850 1.00 63.10 C ATOM 114 OE1 GLU A 18 -12.473 6.321 -1.867 1.00 62.25 O ATOM 115 OE2 GLU A 18 -13.514 4.391 -1.718 1.00 21.01 O ATOM 0 H GLU A 18 -7.944 3.102 -1.239 1.00 74.42 H new ATOM 0 HA GLU A 18 -8.831 5.732 -2.275 1.00 20.11 H new ATOM 0 HB2 GLU A 18 -10.093 3.914 -0.189 1.00 11.41 H new ATOM 0 HB3 GLU A 18 -10.526 5.602 -0.381 1.00 11.41 H new ATOM 0 HG2 GLU A 18 -10.725 4.572 -2.973 1.00 43.33 H new ATOM 0 HG3 GLU A 18 -11.326 3.271 -1.964 1.00 43.33 H new ATOM 122 N ASN A 19 -8.117 5.214 0.884 1.00 33.22 N ATOM 123 CA ASN A 19 -7.371 5.735 2.024 1.00 62.24 C ATOM 124 C ASN A 19 -6.001 5.071 2.126 1.00 42.13 C ATOM 125 O ASN A 19 -5.309 5.202 3.137 1.00 71.15 O ATOM 126 CB ASN A 19 -8.155 5.513 3.318 1.00 32.13 C ATOM 127 CG ASN A 19 -8.515 6.815 4.007 1.00 54.45 C ATOM 128 OD1 ASN A 19 -8.682 7.848 3.357 1.00 0.03 O ATOM 129 ND2 ASN A 19 -8.637 6.772 5.328 1.00 0.12 N ATOM 0 H ASN A 19 -8.803 4.497 1.121 1.00 33.22 H new ATOM 0 HA ASN A 19 -7.227 6.805 1.874 1.00 62.24 H new ATOM 0 HB2 ASN A 19 -9.067 4.958 3.096 1.00 32.13 H new ATOM 0 HB3 ASN A 19 -7.564 4.897 3.996 1.00 32.13 H new ATOM 0 HD21 ASN A 19 -8.878 7.617 5.846 1.00 0.12 H new ATOM 0 HD22 ASN A 19 -8.490 5.894 5.825 1.00 0.12 H new ATOM 136 N LEU A 20 -5.615 4.359 1.073 1.00 44.33 N ATOM 137 CA LEU A 20 -4.327 3.675 1.042 1.00 5.15 C ATOM 138 C LEU A 20 -3.265 4.541 0.371 1.00 14.35 C ATOM 139 O LEU A 20 -2.102 4.539 0.775 1.00 40.34 O ATOM 140 CB LEU A 20 -4.453 2.341 0.305 1.00 22.33 C ATOM 141 CG LEU A 20 -4.990 1.168 1.127 1.00 54.42 C ATOM 142 CD1 LEU A 20 -5.878 1.670 2.255 1.00 74.10 C ATOM 143 CD2 LEU A 20 -5.753 0.199 0.236 1.00 32.51 C ATOM 0 H LEU A 20 -6.176 4.240 0.229 1.00 44.33 H new ATOM 0 HA LEU A 20 -4.019 3.487 2.071 1.00 5.15 H new ATOM 0 HB2 LEU A 20 -5.106 2.485 -0.556 1.00 22.33 H new ATOM 0 HB3 LEU A 20 -3.471 2.068 -0.082 1.00 22.33 H new ATOM 0 HG LEU A 20 -4.145 0.638 1.566 1.00 54.42 H new ATOM 0 HD11 LEU A 20 -6.251 0.822 2.829 1.00 74.10 H new ATOM 0 HD12 LEU A 20 -5.301 2.325 2.908 1.00 74.10 H new ATOM 0 HD13 LEU A 20 -6.719 2.223 1.837 1.00 74.10 H new ATOM 0 HD21 LEU A 20 -6.128 -0.629 0.837 1.00 32.51 H new ATOM 0 HD22 LEU A 20 -6.591 0.717 -0.231 1.00 32.51 H new ATOM 0 HD23 LEU A 20 -5.088 -0.186 -0.537 1.00 32.51 H new ATOM 155 N TYR A 21 -3.675 5.282 -0.652 1.00 64.14 N ATOM 156 CA TYR A 21 -2.759 6.153 -1.380 1.00 12.24 C ATOM 157 C TYR A 21 -2.451 7.412 -0.575 1.00 51.44 C ATOM 158 O TYR A 21 -1.661 8.256 -0.999 1.00 41.12 O ATOM 159 CB TYR A 21 -3.354 6.534 -2.736 1.00 61.15 C ATOM 160 CG TYR A 21 -4.243 7.756 -2.686 1.00 71.24 C ATOM 161 CD1 TYR A 21 -3.701 9.035 -2.711 1.00 41.04 C ATOM 162 CD2 TYR A 21 -5.625 7.631 -2.613 1.00 41.52 C ATOM 163 CE1 TYR A 21 -4.509 10.154 -2.665 1.00 52.42 C ATOM 164 CE2 TYR A 21 -6.441 8.745 -2.568 1.00 41.21 C ATOM 165 CZ TYR A 21 -5.878 10.004 -2.594 1.00 55.31 C ATOM 166 OH TYR A 21 -6.688 11.116 -2.548 1.00 1.21 O ATOM 0 H TYR A 21 -4.635 5.297 -0.996 1.00 64.14 H new ATOM 0 HA TYR A 21 -1.828 5.608 -1.540 1.00 12.24 H new ATOM 0 HB2 TYR A 21 -2.543 6.714 -3.441 1.00 61.15 H new ATOM 0 HB3 TYR A 21 -3.930 5.692 -3.120 1.00 61.15 H new ATOM 0 HD1 TYR A 21 -2.629 9.156 -2.767 1.00 41.04 H new ATOM 0 HD2 TYR A 21 -6.069 6.647 -2.591 1.00 41.52 H new ATOM 0 HE1 TYR A 21 -4.071 11.141 -2.685 1.00 52.42 H new ATOM 0 HE2 TYR A 21 -7.514 8.631 -2.513 1.00 41.21 H new ATOM 0 HH TYR A 21 -6.668 11.498 -1.646 1.00 1.21 H new ATOM 176 N PHE A 22 -3.081 7.532 0.589 1.00 62.22 N ATOM 177 CA PHE A 22 -2.875 8.688 1.454 1.00 34.51 C ATOM 178 C PHE A 22 -1.832 8.386 2.526 1.00 61.02 C ATOM 179 O PHE A 22 -1.095 9.273 2.955 1.00 63.00 O ATOM 180 CB PHE A 22 -4.194 9.100 2.112 1.00 70.42 C ATOM 181 CG PHE A 22 -4.871 10.252 1.427 1.00 41.30 C ATOM 182 CD1 PHE A 22 -4.199 11.447 1.225 1.00 21.01 C ATOM 183 CD2 PHE A 22 -6.180 10.141 0.986 1.00 43.35 C ATOM 184 CE1 PHE A 22 -4.819 12.510 0.595 1.00 63.41 C ATOM 185 CE2 PHE A 22 -6.804 11.200 0.354 1.00 15.24 C ATOM 186 CZ PHE A 22 -6.124 12.386 0.160 1.00 43.21 C ATOM 0 H PHE A 22 -3.738 6.843 0.955 1.00 62.22 H new ATOM 0 HA PHE A 22 -2.511 9.511 0.839 1.00 34.51 H new ATOM 0 HB2 PHE A 22 -4.870 8.245 2.120 1.00 70.42 H new ATOM 0 HB3 PHE A 22 -4.004 9.366 3.152 1.00 70.42 H new ATOM 0 HD1 PHE A 22 -3.179 11.549 1.564 1.00 21.01 H new ATOM 0 HD2 PHE A 22 -6.718 9.217 1.138 1.00 43.35 H new ATOM 0 HE1 PHE A 22 -4.284 13.436 0.443 1.00 63.41 H new ATOM 0 HE2 PHE A 22 -7.823 11.100 0.012 1.00 15.24 H new ATOM 0 HZ PHE A 22 -6.612 13.215 -0.331 1.00 43.21 H new ATOM 196 N GLN A 23 -1.777 7.129 2.953 1.00 73.52 N ATOM 197 CA GLN A 23 -0.825 6.710 3.975 1.00 15.11 C ATOM 198 C GLN A 23 0.551 6.462 3.368 1.00 64.00 C ATOM 199 O GLN A 23 1.574 6.657 4.023 1.00 1.23 O ATOM 200 CB GLN A 23 -1.322 5.445 4.677 1.00 70.11 C ATOM 201 CG GLN A 23 -2.772 5.527 5.126 1.00 40.50 C ATOM 202 CD GLN A 23 -3.003 6.615 6.157 1.00 43.04 C ATOM 203 OE1 GLN A 23 -2.711 7.787 5.916 1.00 61.25 O ATOM 204 NE2 GLN A 23 -3.529 6.232 7.314 1.00 54.21 N ATOM 0 H GLN A 23 -2.380 6.383 2.607 1.00 73.52 H new ATOM 0 HA GLN A 23 -0.739 7.513 4.707 1.00 15.11 H new ATOM 0 HB2 GLN A 23 -1.207 4.596 4.003 1.00 70.11 H new ATOM 0 HB3 GLN A 23 -0.692 5.250 5.545 1.00 70.11 H new ATOM 0 HG2 GLN A 23 -3.407 5.712 4.259 1.00 40.50 H new ATOM 0 HG3 GLN A 23 -3.074 4.566 5.543 1.00 40.50 H new ATOM 0 HE21 GLN A 23 -3.756 5.250 7.471 1.00 54.21 H new ATOM 0 HE22 GLN A 23 -3.706 6.920 8.046 1.00 54.21 H new ATOM 213 N GLY A 24 0.569 6.030 2.111 1.00 64.34 N ATOM 214 CA GLY A 24 1.826 5.761 1.436 1.00 2.44 C ATOM 215 C GLY A 24 2.875 6.817 1.724 1.00 24.01 C ATOM 216 O GLY A 24 4.054 6.503 1.884 1.00 63.53 O ATOM 0 H GLY A 24 -0.264 5.861 1.548 1.00 64.34 H new ATOM 0 HA2 GLY A 24 2.201 4.786 1.747 1.00 2.44 H new ATOM 0 HA3 GLY A 24 1.654 5.708 0.361 1.00 2.44 H new ATOM 220 N ALA A 25 2.446 8.073 1.789 1.00 44.23 N ATOM 221 CA ALA A 25 3.357 9.178 2.059 1.00 3.52 C ATOM 222 C ALA A 25 4.071 8.988 3.393 1.00 24.50 C ATOM 223 O ALA A 25 5.298 8.900 3.444 1.00 71.21 O ATOM 224 CB ALA A 25 2.603 10.500 2.047 1.00 74.42 C ATOM 0 H ALA A 25 1.473 8.351 1.658 1.00 44.23 H new ATOM 0 HA ALA A 25 4.111 9.194 1.272 1.00 3.52 H new ATOM 0 HB1 ALA A 25 3.296 11.316 2.250 1.00 74.42 H new ATOM 0 HB2 ALA A 25 2.144 10.648 1.069 1.00 74.42 H new ATOM 0 HB3 ALA A 25 1.828 10.484 2.813 1.00 74.42 H new ATOM 230 N MET A 26 3.296 8.925 4.470 1.00 31.35 N ATOM 231 CA MET A 26 3.856 8.744 5.805 1.00 74.31 C ATOM 232 C MET A 26 4.477 7.358 5.950 1.00 2.33 C ATOM 233 O MET A 26 5.175 7.080 6.925 1.00 13.02 O ATOM 234 CB MET A 26 2.773 8.944 6.867 1.00 73.41 C ATOM 235 CG MET A 26 1.870 7.734 7.049 1.00 12.43 C ATOM 236 SD MET A 26 0.131 8.183 7.206 1.00 54.54 S ATOM 237 CE MET A 26 0.237 9.555 8.352 1.00 12.24 C ATOM 0 H MET A 26 2.279 8.996 4.445 1.00 31.35 H new ATOM 0 HA MET A 26 4.638 9.490 5.949 1.00 74.31 H new ATOM 0 HB2 MET A 26 3.248 9.179 7.819 1.00 73.41 H new ATOM 0 HB3 MET A 26 2.163 9.805 6.594 1.00 73.41 H new ATOM 0 HG2 MET A 26 1.993 7.063 6.199 1.00 12.43 H new ATOM 0 HG3 MET A 26 2.181 7.184 7.937 1.00 12.43 H new ATOM 0 HE1 MET A 26 -0.689 9.624 8.924 1.00 12.24 H new ATOM 0 HE2 MET A 26 1.073 9.396 9.033 1.00 12.24 H new ATOM 0 HE3 MET A 26 0.391 10.481 7.798 1.00 12.24 H new ATOM 247 N ALA A 27 4.219 6.493 4.975 1.00 41.42 N ATOM 248 CA ALA A 27 4.755 5.138 4.994 1.00 32.00 C ATOM 249 C ALA A 27 6.187 5.106 4.470 1.00 13.14 C ATOM 250 O ALA A 27 6.989 4.265 4.877 1.00 14.24 O ATOM 251 CB ALA A 27 3.871 4.209 4.175 1.00 15.31 C ATOM 0 H ALA A 27 3.642 6.707 4.162 1.00 41.42 H new ATOM 0 HA ALA A 27 4.766 4.793 6.028 1.00 32.00 H new ATOM 0 HB1 ALA A 27 4.283 3.200 4.198 1.00 15.31 H new ATOM 0 HB2 ALA A 27 2.865 4.200 4.595 1.00 15.31 H new ATOM 0 HB3 ALA A 27 3.830 4.561 3.144 1.00 15.31 H new ATOM 257 N PHE A 28 6.501 6.027 3.565 1.00 23.31 N ATOM 258 CA PHE A 28 7.837 6.103 2.984 1.00 32.34 C ATOM 259 C PHE A 28 8.835 6.673 3.988 1.00 53.21 C ATOM 260 O PHE A 28 9.673 7.505 3.641 1.00 4.11 O ATOM 261 CB PHE A 28 7.818 6.965 1.720 1.00 20.34 C ATOM 262 CG PHE A 28 6.722 6.599 0.761 1.00 35.34 C ATOM 263 CD1 PHE A 28 6.304 5.283 0.635 1.00 44.53 C ATOM 264 CD2 PHE A 28 6.108 7.570 -0.013 1.00 34.20 C ATOM 265 CE1 PHE A 28 5.296 4.944 -0.248 1.00 2.04 C ATOM 266 CE2 PHE A 28 5.098 7.236 -0.897 1.00 4.42 C ATOM 267 CZ PHE A 28 4.692 5.922 -1.013 1.00 73.23 C ATOM 0 H PHE A 28 5.849 6.731 3.218 1.00 23.31 H new ATOM 0 HA PHE A 28 8.150 5.093 2.721 1.00 32.34 H new ATOM 0 HB2 PHE A 28 7.706 8.011 2.005 1.00 20.34 H new ATOM 0 HB3 PHE A 28 8.779 6.874 1.213 1.00 20.34 H new ATOM 0 HD1 PHE A 28 6.771 4.515 1.233 1.00 44.53 H new ATOM 0 HD2 PHE A 28 6.422 8.600 0.075 1.00 34.20 H new ATOM 0 HE1 PHE A 28 4.981 3.915 -0.339 1.00 2.04 H new ATOM 0 HE2 PHE A 28 4.628 8.002 -1.496 1.00 4.42 H new ATOM 0 HZ PHE A 28 3.903 5.659 -1.702 1.00 73.23 H new ATOM 277 N ASP A 29 8.737 6.220 5.233 1.00 52.31 N ATOM 278 CA ASP A 29 9.630 6.684 6.288 1.00 44.32 C ATOM 279 C ASP A 29 9.879 5.582 7.313 1.00 43.41 C ATOM 280 O ASP A 29 11.004 5.391 7.772 1.00 23.44 O ATOM 281 CB ASP A 29 9.043 7.917 6.978 1.00 70.43 C ATOM 282 CG ASP A 29 9.901 9.152 6.786 1.00 60.42 C ATOM 283 OD1 ASP A 29 10.532 9.275 5.715 1.00 34.02 O ATOM 284 OD2 ASP A 29 9.943 9.994 7.707 1.00 53.53 O ATOM 0 H ASP A 29 8.048 5.532 5.536 1.00 52.31 H new ATOM 0 HA ASP A 29 10.583 6.953 5.831 1.00 44.32 H new ATOM 0 HB2 ASP A 29 8.044 8.108 6.586 1.00 70.43 H new ATOM 0 HB3 ASP A 29 8.934 7.716 8.044 1.00 70.43 H new ATOM 289 N GLY A 30 8.820 4.861 7.668 1.00 63.11 N ATOM 290 CA GLY A 30 8.945 3.788 8.637 1.00 12.02 C ATOM 291 C GLY A 30 8.131 2.567 8.258 1.00 60.30 C ATOM 292 O GLY A 30 7.929 1.670 9.076 1.00 55.10 O ATOM 0 H GLY A 30 7.878 5.001 7.302 1.00 63.11 H new ATOM 0 HA2 GLY A 30 9.994 3.507 8.730 1.00 12.02 H new ATOM 0 HA3 GLY A 30 8.623 4.146 9.615 1.00 12.02 H new ATOM 296 N GLU A 31 7.662 2.533 7.014 1.00 21.45 N ATOM 297 CA GLU A 31 6.863 1.413 6.530 1.00 24.35 C ATOM 298 C GLU A 31 7.633 0.101 6.657 1.00 71.05 C ATOM 299 O GLU A 31 8.539 -0.177 5.871 1.00 23.31 O ATOM 300 CB GLU A 31 6.456 1.640 5.073 1.00 25.01 C ATOM 301 CG GLU A 31 6.114 0.360 4.330 1.00 31.40 C ATOM 302 CD GLU A 31 5.078 0.575 3.244 1.00 70.22 C ATOM 303 OE1 GLU A 31 4.182 1.423 3.437 1.00 43.10 O ATOM 304 OE2 GLU A 31 5.164 -0.106 2.200 1.00 13.40 O ATOM 0 H GLU A 31 7.821 3.267 6.324 1.00 21.45 H new ATOM 0 HA GLU A 31 5.965 1.348 7.144 1.00 24.35 H new ATOM 0 HB2 GLU A 31 5.595 2.308 5.045 1.00 25.01 H new ATOM 0 HB3 GLU A 31 7.269 2.146 4.552 1.00 25.01 H new ATOM 0 HG2 GLU A 31 7.021 -0.051 3.886 1.00 31.40 H new ATOM 0 HG3 GLU A 31 5.743 -0.380 5.040 1.00 31.40 H new ATOM 311 N ASP A 32 7.265 -0.700 7.650 1.00 23.41 N ATOM 312 CA ASP A 32 7.920 -1.983 7.880 1.00 73.21 C ATOM 313 C ASP A 32 6.990 -3.139 7.523 1.00 22.04 C ATOM 314 O ASP A 32 5.920 -2.933 6.952 1.00 32.15 O ATOM 315 CB ASP A 32 8.362 -2.100 9.339 1.00 5.12 C ATOM 316 CG ASP A 32 9.866 -2.234 9.479 1.00 21.50 C ATOM 317 OD1 ASP A 32 10.491 -2.851 8.591 1.00 2.31 O ATOM 318 OD2 ASP A 32 10.418 -1.724 10.477 1.00 74.31 O ATOM 0 H ASP A 32 6.517 -0.484 8.309 1.00 23.41 H new ATOM 0 HA ASP A 32 8.799 -2.035 7.237 1.00 73.21 H new ATOM 0 HB2 ASP A 32 8.026 -1.221 9.889 1.00 5.12 H new ATOM 0 HB3 ASP A 32 7.879 -2.965 9.794 1.00 5.12 H new ATOM 323 N GLU A 33 7.408 -4.354 7.864 1.00 71.44 N ATOM 324 CA GLU A 33 6.613 -5.543 7.577 1.00 12.31 C ATOM 325 C GLU A 33 6.038 -6.135 8.861 1.00 64.44 C ATOM 326 O GLU A 33 6.779 -6.511 9.770 1.00 54.01 O ATOM 327 CB GLU A 33 7.463 -6.590 6.854 1.00 35.04 C ATOM 328 CG GLU A 33 8.309 -6.017 5.730 1.00 1.24 C ATOM 329 CD GLU A 33 9.159 -7.069 5.045 1.00 20.22 C ATOM 330 OE1 GLU A 33 9.154 -8.229 5.509 1.00 4.21 O ATOM 331 OE2 GLU A 33 9.829 -6.734 4.046 1.00 15.30 O ATOM 0 H GLU A 33 8.291 -4.541 8.339 1.00 71.44 H new ATOM 0 HA GLU A 33 5.786 -5.249 6.931 1.00 12.31 H new ATOM 0 HB2 GLU A 33 8.117 -7.077 7.577 1.00 35.04 H new ATOM 0 HB3 GLU A 33 6.807 -7.360 6.448 1.00 35.04 H new ATOM 0 HG2 GLU A 33 7.658 -5.546 4.994 1.00 1.24 H new ATOM 0 HG3 GLU A 33 8.956 -5.236 6.129 1.00 1.24 H new ATOM 338 N VAL A 34 4.713 -6.215 8.927 1.00 22.52 N ATOM 339 CA VAL A 34 4.038 -6.762 10.098 1.00 22.51 C ATOM 340 C VAL A 34 3.795 -8.259 9.943 1.00 61.51 C ATOM 341 O VAL A 34 4.642 -8.987 9.424 1.00 23.53 O ATOM 342 CB VAL A 34 2.692 -6.058 10.350 1.00 73.22 C ATOM 343 CG1 VAL A 34 2.262 -6.229 11.799 1.00 61.41 C ATOM 344 CG2 VAL A 34 2.785 -4.585 9.983 1.00 11.22 C ATOM 0 H VAL A 34 4.086 -5.908 8.184 1.00 22.52 H new ATOM 0 HA VAL A 34 4.695 -6.590 10.951 1.00 22.51 H new ATOM 0 HB VAL A 34 1.936 -6.520 9.715 1.00 73.22 H new ATOM 0 HG11 VAL A 34 1.309 -5.725 11.958 1.00 61.41 H new ATOM 0 HG12 VAL A 34 2.153 -7.290 12.023 1.00 61.41 H new ATOM 0 HG13 VAL A 34 3.016 -5.795 12.456 1.00 61.41 H new ATOM 0 HG21 VAL A 34 1.825 -4.103 10.167 1.00 11.22 H new ATOM 0 HG22 VAL A 34 3.554 -4.107 10.590 1.00 11.22 H new ATOM 0 HG23 VAL A 34 3.043 -4.488 8.928 1.00 11.22 H new ATOM 354 N THR A 35 2.631 -8.715 10.396 1.00 51.42 N ATOM 355 CA THR A 35 2.276 -10.125 10.308 1.00 35.32 C ATOM 356 C THR A 35 0.829 -10.301 9.861 1.00 70.14 C ATOM 357 O THR A 35 0.562 -10.848 8.792 1.00 71.33 O ATOM 358 CB THR A 35 2.474 -10.839 11.659 1.00 75.44 C ATOM 359 OG1 THR A 35 1.533 -10.344 12.618 1.00 53.45 O ATOM 360 CG2 THR A 35 3.889 -10.634 12.177 1.00 60.43 C ATOM 0 H THR A 35 1.918 -8.127 10.828 1.00 51.42 H new ATOM 0 HA THR A 35 2.939 -10.572 9.568 1.00 35.32 H new ATOM 0 HB THR A 35 2.310 -11.906 11.508 1.00 75.44 H new ATOM 0 HG1 THR A 35 1.280 -11.066 13.231 1.00 53.45 H new ATOM 0 HG21 THR A 35 4.005 -11.147 13.132 1.00 60.43 H new ATOM 0 HG22 THR A 35 4.602 -11.039 11.459 1.00 60.43 H new ATOM 0 HG23 THR A 35 4.076 -9.569 12.313 1.00 60.43 H new ATOM 368 N GLY A 36 -0.102 -9.832 10.686 1.00 74.32 N ATOM 369 CA GLY A 36 -1.511 -9.947 10.356 1.00 30.15 C ATOM 370 C GLY A 36 -2.404 -9.289 11.390 1.00 64.10 C ATOM 371 O GLY A 36 -3.100 -8.314 11.109 1.00 11.50 O ATOM 0 H GLY A 36 0.094 -9.375 11.576 1.00 74.32 H new ATOM 0 HA2 GLY A 36 -1.691 -9.492 9.382 1.00 30.15 H new ATOM 0 HA3 GLY A 36 -1.776 -11.001 10.269 1.00 30.15 H new ATOM 375 N PRO A 37 -2.391 -9.829 12.618 1.00 53.22 N ATOM 376 CA PRO A 37 -3.201 -9.304 13.721 1.00 33.32 C ATOM 377 C PRO A 37 -2.709 -7.945 14.207 1.00 63.40 C ATOM 378 O PRO A 37 -1.610 -7.512 13.859 1.00 31.11 O ATOM 379 CB PRO A 37 -3.031 -10.358 14.818 1.00 33.13 C ATOM 380 CG PRO A 37 -1.724 -11.007 14.521 1.00 44.11 C ATOM 381 CD PRO A 37 -1.585 -10.992 13.024 1.00 72.43 C ATOM 0 HA PRO A 37 -4.237 -9.141 13.424 1.00 33.32 H new ATOM 0 HB2 PRO A 37 -3.031 -9.902 15.808 1.00 33.13 H new ATOM 0 HB3 PRO A 37 -3.845 -11.082 14.801 1.00 33.13 H new ATOM 0 HG2 PRO A 37 -0.904 -10.467 14.994 1.00 44.11 H new ATOM 0 HG3 PRO A 37 -1.698 -12.027 14.905 1.00 44.11 H new ATOM 0 HD2 PRO A 37 -0.544 -10.886 12.718 1.00 72.43 H new ATOM 0 HD3 PRO A 37 -1.956 -11.914 12.577 1.00 72.43 H new ATOM 389 N ASP A 38 -3.527 -7.278 15.013 1.00 54.05 N ATOM 390 CA ASP A 38 -3.174 -5.968 15.548 1.00 61.24 C ATOM 391 C ASP A 38 -2.055 -6.086 16.577 1.00 3.04 C ATOM 392 O ASP A 38 -1.297 -5.141 16.796 1.00 71.20 O ATOM 393 CB ASP A 38 -4.398 -5.305 16.180 1.00 12.32 C ATOM 394 CG ASP A 38 -4.586 -5.700 17.632 1.00 61.34 C ATOM 395 OD1 ASP A 38 -4.779 -6.905 17.898 1.00 53.24 O ATOM 396 OD2 ASP A 38 -4.540 -4.805 18.502 1.00 73.24 O ATOM 0 H ASP A 38 -4.440 -7.623 15.311 1.00 54.05 H new ATOM 0 HA ASP A 38 -2.821 -5.349 14.723 1.00 61.24 H new ATOM 0 HB2 ASP A 38 -4.297 -4.222 16.111 1.00 12.32 H new ATOM 0 HB3 ASP A 38 -5.288 -5.578 15.614 1.00 12.32 H new ATOM 401 N ALA A 39 -1.958 -7.252 17.208 1.00 42.12 N ATOM 402 CA ALA A 39 -0.931 -7.493 18.214 1.00 70.42 C ATOM 403 C ALA A 39 0.463 -7.251 17.645 1.00 52.12 C ATOM 404 O ALA A 39 1.344 -6.736 18.333 1.00 12.14 O ATOM 405 CB ALA A 39 -1.044 -8.912 18.753 1.00 43.20 C ATOM 0 H ALA A 39 -2.578 -8.044 17.040 1.00 42.12 H new ATOM 0 HA ALA A 39 -1.087 -6.791 19.033 1.00 70.42 H new ATOM 0 HB1 ALA A 39 -0.271 -9.079 19.503 1.00 43.20 H new ATOM 0 HB2 ALA A 39 -2.026 -9.052 19.206 1.00 43.20 H new ATOM 0 HB3 ALA A 39 -0.916 -9.623 17.936 1.00 43.20 H new ATOM 411 N ASP A 40 0.656 -7.626 16.385 1.00 13.30 N ATOM 412 CA ASP A 40 1.943 -7.448 15.723 1.00 21.52 C ATOM 413 C ASP A 40 2.072 -6.039 15.155 1.00 5.42 C ATOM 414 O ASP A 40 3.164 -5.471 15.121 1.00 42.55 O ATOM 415 CB ASP A 40 2.113 -8.479 14.606 1.00 34.32 C ATOM 416 CG ASP A 40 2.561 -9.830 15.128 1.00 24.11 C ATOM 417 OD1 ASP A 40 3.786 -10.042 15.252 1.00 41.32 O ATOM 418 OD2 ASP A 40 1.688 -10.675 15.414 1.00 71.33 O ATOM 0 H ASP A 40 -0.062 -8.055 15.802 1.00 13.30 H new ATOM 0 HA ASP A 40 2.728 -7.594 16.465 1.00 21.52 H new ATOM 0 HB2 ASP A 40 1.168 -8.593 14.074 1.00 34.32 H new ATOM 0 HB3 ASP A 40 2.843 -8.112 13.884 1.00 34.32 H new ATOM 423 N ARG A 41 0.952 -5.480 14.710 1.00 74.30 N ATOM 424 CA ARG A 41 0.940 -4.138 14.141 1.00 2.02 C ATOM 425 C ARG A 41 1.159 -3.086 15.225 1.00 64.41 C ATOM 426 O ARG A 41 1.925 -2.141 15.040 1.00 13.42 O ATOM 427 CB ARG A 41 -0.385 -3.877 13.423 1.00 42.33 C ATOM 428 CG ARG A 41 -1.435 -3.218 14.302 1.00 1.30 C ATOM 429 CD ARG A 41 -2.751 -3.042 13.562 1.00 75.55 C ATOM 430 NE ARG A 41 -3.011 -4.144 12.638 1.00 30.04 N ATOM 431 CZ ARG A 41 -4.164 -4.801 12.584 1.00 53.12 C ATOM 432 NH1 ARG A 41 -5.159 -4.468 13.395 1.00 74.54 N ATOM 433 NH2 ARG A 41 -4.324 -5.792 11.716 1.00 33.24 N ATOM 0 H ARG A 41 0.040 -5.936 14.733 1.00 74.30 H new ATOM 0 HA ARG A 41 1.755 -4.069 13.421 1.00 2.02 H new ATOM 0 HB2 ARG A 41 -0.200 -3.243 12.556 1.00 42.33 H new ATOM 0 HB3 ARG A 41 -0.778 -4.822 13.049 1.00 42.33 H new ATOM 0 HG2 ARG A 41 -1.596 -3.823 15.194 1.00 1.30 H new ATOM 0 HG3 ARG A 41 -1.072 -2.246 14.637 1.00 1.30 H new ATOM 0 HD2 ARG A 41 -3.566 -2.973 14.283 1.00 75.55 H new ATOM 0 HD3 ARG A 41 -2.734 -2.102 13.010 1.00 75.55 H new ATOM 0 HE ARG A 41 -2.266 -4.424 12.000 1.00 30.04 H new ATOM 0 HH11 ARG A 41 -5.040 -3.706 14.062 1.00 74.54 H new ATOM 0 HH12 ARG A 41 -6.044 -4.974 13.352 1.00 74.54 H new ATOM 0 HH21 ARG A 41 -3.561 -6.050 11.090 1.00 33.24 H new ATOM 0 HH22 ARG A 41 -5.210 -6.296 11.675 1.00 33.24 H new ATOM 447 N ALA A 42 0.482 -3.259 16.355 1.00 10.02 N ATOM 448 CA ALA A 42 0.604 -2.326 17.469 1.00 73.33 C ATOM 449 C ALA A 42 1.972 -2.440 18.133 1.00 52.43 C ATOM 450 O ALA A 42 2.527 -1.447 18.605 1.00 63.53 O ATOM 451 CB ALA A 42 -0.501 -2.572 18.486 1.00 2.20 C ATOM 0 H ALA A 42 -0.157 -4.036 16.524 1.00 10.02 H new ATOM 0 HA ALA A 42 0.503 -1.314 17.077 1.00 73.33 H new ATOM 0 HB1 ALA A 42 -0.398 -1.869 19.312 1.00 2.20 H new ATOM 0 HB2 ALA A 42 -1.471 -2.433 18.010 1.00 2.20 H new ATOM 0 HB3 ALA A 42 -0.426 -3.591 18.865 1.00 2.20 H new ATOM 457 N ARG A 43 2.509 -3.655 18.166 1.00 3.42 N ATOM 458 CA ARG A 43 3.812 -3.897 18.774 1.00 31.34 C ATOM 459 C ARG A 43 4.938 -3.491 17.828 1.00 31.41 C ATOM 460 O ARG A 43 5.936 -2.907 18.249 1.00 14.12 O ATOM 461 CB ARG A 43 3.955 -5.373 19.152 1.00 43.13 C ATOM 462 CG ARG A 43 4.407 -6.255 17.999 1.00 33.12 C ATOM 463 CD ARG A 43 4.366 -7.728 18.376 1.00 5.21 C ATOM 464 NE ARG A 43 5.261 -8.530 17.546 1.00 3.21 N ATOM 465 CZ ARG A 43 5.557 -9.800 17.799 1.00 73.02 C ATOM 466 NH1 ARG A 43 5.031 -10.410 18.852 1.00 14.52 N ATOM 467 NH2 ARG A 43 6.380 -10.463 16.997 1.00 74.44 N ATOM 0 H ARG A 43 2.063 -4.487 17.779 1.00 3.42 H new ATOM 0 HA ARG A 43 3.883 -3.289 19.676 1.00 31.34 H new ATOM 0 HB2 ARG A 43 4.671 -5.463 19.969 1.00 43.13 H new ATOM 0 HB3 ARG A 43 2.998 -5.738 19.525 1.00 43.13 H new ATOM 0 HG2 ARG A 43 3.767 -6.082 17.134 1.00 33.12 H new ATOM 0 HG3 ARG A 43 5.420 -5.981 17.706 1.00 33.12 H new ATOM 0 HD2 ARG A 43 4.644 -7.842 19.424 1.00 5.21 H new ATOM 0 HD3 ARG A 43 3.347 -8.100 18.274 1.00 5.21 H new ATOM 0 HE ARG A 43 5.682 -8.091 16.727 1.00 3.21 H new ATOM 0 HH11 ARG A 43 4.397 -9.904 19.471 1.00 14.52 H new ATOM 0 HH12 ARG A 43 5.260 -11.385 19.044 1.00 14.52 H new ATOM 0 HH21 ARG A 43 6.786 -9.998 16.185 1.00 74.44 H new ATOM 0 HH22 ARG A 43 6.607 -11.438 17.192 1.00 74.44 H new ATOM 481 N ALA A 44 4.770 -3.806 16.548 1.00 63.22 N ATOM 482 CA ALA A 44 5.771 -3.473 15.542 1.00 62.21 C ATOM 483 C ALA A 44 5.701 -1.997 15.165 1.00 31.21 C ATOM 484 O ALA A 44 6.648 -1.244 15.390 1.00 53.13 O ATOM 485 CB ALA A 44 5.589 -4.344 14.308 1.00 62.13 C ATOM 0 H ALA A 44 3.950 -4.291 16.183 1.00 63.22 H new ATOM 0 HA ALA A 44 6.756 -3.666 15.967 1.00 62.21 H new ATOM 0 HB1 ALA A 44 6.343 -4.085 13.565 1.00 62.13 H new ATOM 0 HB2 ALA A 44 5.697 -5.393 14.584 1.00 62.13 H new ATOM 0 HB3 ALA A 44 4.596 -4.179 13.890 1.00 62.13 H new ATOM 491 N ALA A 45 4.574 -1.591 14.591 1.00 55.14 N ATOM 492 CA ALA A 45 4.380 -0.205 14.184 1.00 52.31 C ATOM 493 C ALA A 45 4.658 0.750 15.340 1.00 53.43 C ATOM 494 O ALA A 45 4.902 1.938 15.131 1.00 42.24 O ATOM 495 CB ALA A 45 2.967 -0.002 13.657 1.00 11.31 C ATOM 0 H ALA A 45 3.781 -2.202 14.397 1.00 55.14 H new ATOM 0 HA ALA A 45 5.088 0.016 13.386 1.00 52.31 H new ATOM 0 HB1 ALA A 45 2.837 1.038 13.357 1.00 11.31 H new ATOM 0 HB2 ALA A 45 2.803 -0.651 12.797 1.00 11.31 H new ATOM 0 HB3 ALA A 45 2.248 -0.247 14.439 1.00 11.31 H new ATOM 501 N ALA A 46 4.618 0.224 16.559 1.00 33.32 N ATOM 502 CA ALA A 46 4.867 1.030 17.748 1.00 74.40 C ATOM 503 C ALA A 46 6.196 1.769 17.642 1.00 61.33 C ATOM 504 O ALA A 46 6.230 2.995 17.536 1.00 73.23 O ATOM 505 CB ALA A 46 4.845 0.155 18.993 1.00 72.13 C ATOM 0 H ALA A 46 4.415 -0.757 16.750 1.00 33.32 H new ATOM 0 HA ALA A 46 4.073 1.773 17.825 1.00 74.40 H new ATOM 0 HB1 ALA A 46 5.032 0.770 19.873 1.00 72.13 H new ATOM 0 HB2 ALA A 46 3.869 -0.323 19.085 1.00 72.13 H new ATOM 0 HB3 ALA A 46 5.617 -0.610 18.914 1.00 72.13 H new ATOM 511 N VAL A 47 7.291 1.015 17.671 1.00 11.24 N ATOM 512 CA VAL A 47 8.624 1.599 17.578 1.00 14.10 C ATOM 513 C VAL A 47 9.332 1.150 16.305 1.00 42.20 C ATOM 514 O VAL A 47 10.351 1.721 15.916 1.00 15.41 O ATOM 515 CB VAL A 47 9.489 1.221 18.795 1.00 72.52 C ATOM 516 CG1 VAL A 47 10.798 1.995 18.781 1.00 14.54 C ATOM 517 CG2 VAL A 47 8.726 1.468 20.088 1.00 64.23 C ATOM 0 H VAL A 47 7.281 -0.001 17.758 1.00 11.24 H new ATOM 0 HA VAL A 47 8.495 2.681 17.556 1.00 14.10 H new ATOM 0 HB VAL A 47 9.724 0.158 18.737 1.00 72.52 H new ATOM 0 HG11 VAL A 47 11.396 1.715 19.648 1.00 14.54 H new ATOM 0 HG12 VAL A 47 11.349 1.762 17.870 1.00 14.54 H new ATOM 0 HG13 VAL A 47 10.589 3.064 18.815 1.00 14.54 H new ATOM 0 HG21 VAL A 47 9.352 1.196 20.938 1.00 64.23 H new ATOM 0 HG22 VAL A 47 8.459 2.523 20.157 1.00 64.23 H new ATOM 0 HG23 VAL A 47 7.819 0.863 20.097 1.00 64.23 H new ATOM 527 N GLN A 48 8.786 0.124 15.660 1.00 12.35 N ATOM 528 CA GLN A 48 9.367 -0.401 14.431 1.00 75.34 C ATOM 529 C GLN A 48 8.978 0.460 13.234 1.00 51.14 C ATOM 530 O GLN A 48 9.761 0.631 12.299 1.00 35.04 O ATOM 531 CB GLN A 48 8.913 -1.845 14.204 1.00 43.41 C ATOM 532 CG GLN A 48 9.101 -2.739 15.419 1.00 74.13 C ATOM 533 CD GLN A 48 9.007 -4.213 15.078 1.00 61.31 C ATOM 534 OE1 GLN A 48 8.851 -4.585 13.914 1.00 12.43 O ATOM 535 NE2 GLN A 48 9.103 -5.063 16.094 1.00 73.23 N ATOM 0 H GLN A 48 7.943 -0.360 15.968 1.00 12.35 H new ATOM 0 HA GLN A 48 10.452 -0.380 14.534 1.00 75.34 H new ATOM 0 HB2 GLN A 48 7.860 -1.846 13.922 1.00 43.41 H new ATOM 0 HB3 GLN A 48 9.468 -2.264 13.365 1.00 43.41 H new ATOM 0 HG2 GLN A 48 10.073 -2.535 15.869 1.00 74.13 H new ATOM 0 HG3 GLN A 48 8.346 -2.494 16.166 1.00 74.13 H new ATOM 0 HE21 GLN A 48 9.232 -4.711 17.043 1.00 73.23 H new ATOM 0 HE22 GLN A 48 9.048 -6.067 15.926 1.00 73.23 H new ATOM 544 N ALA A 49 7.764 1.000 13.269 1.00 41.23 N ATOM 545 CA ALA A 49 7.272 1.845 12.188 1.00 45.34 C ATOM 546 C ALA A 49 7.226 3.309 12.613 1.00 75.12 C ATOM 547 O ALA A 49 6.906 4.188 11.813 1.00 42.42 O ATOM 548 CB ALA A 49 5.895 1.380 11.738 1.00 23.34 C ATOM 0 H ALA A 49 7.103 0.867 14.035 1.00 41.23 H new ATOM 0 HA ALA A 49 7.963 1.759 11.350 1.00 45.34 H new ATOM 0 HB1 ALA A 49 5.541 2.021 10.930 1.00 23.34 H new ATOM 0 HB2 ALA A 49 5.956 0.351 11.385 1.00 23.34 H new ATOM 0 HB3 ALA A 49 5.200 1.435 12.576 1.00 23.34 H new ATOM 554 N VAL A 50 7.545 3.563 13.878 1.00 41.52 N ATOM 555 CA VAL A 50 7.540 4.921 14.409 1.00 13.14 C ATOM 556 C VAL A 50 8.930 5.544 14.341 1.00 75.25 C ATOM 557 O VAL A 50 9.123 6.725 14.629 1.00 53.14 O ATOM 558 CB VAL A 50 7.048 4.951 15.869 1.00 73.54 C ATOM 559 CG1 VAL A 50 8.224 4.881 16.830 1.00 30.14 C ATOM 560 CG2 VAL A 50 6.213 6.196 16.124 1.00 53.21 C ATOM 0 H VAL A 50 7.810 2.847 14.554 1.00 41.52 H new ATOM 0 HA VAL A 50 6.855 5.500 13.790 1.00 13.14 H new ATOM 0 HB VAL A 50 6.418 4.078 16.040 1.00 73.54 H new ATOM 0 HG11 VAL A 50 7.857 4.903 17.856 1.00 30.14 H new ATOM 0 HG12 VAL A 50 8.776 3.956 16.662 1.00 30.14 H new ATOM 0 HG13 VAL A 50 8.883 5.733 16.662 1.00 30.14 H new ATOM 0 HG21 VAL A 50 5.874 6.201 17.160 1.00 53.21 H new ATOM 0 HG22 VAL A 50 6.817 7.084 15.936 1.00 53.21 H new ATOM 0 HG23 VAL A 50 5.349 6.197 15.459 1.00 53.21 H new ATOM 570 N PRO A 51 9.923 4.732 13.949 1.00 32.11 N ATOM 571 CA PRO A 51 11.313 5.182 13.832 1.00 61.41 C ATOM 572 C PRO A 51 11.514 6.148 12.670 1.00 53.41 C ATOM 573 O PRO A 51 12.420 6.980 12.691 1.00 50.10 O ATOM 574 CB PRO A 51 12.086 3.883 13.587 1.00 44.40 C ATOM 575 CG PRO A 51 11.091 2.959 12.975 1.00 50.30 C ATOM 576 CD PRO A 51 9.765 3.312 13.590 1.00 1.52 C ATOM 0 HA PRO A 51 11.640 5.729 14.716 1.00 61.41 H new ATOM 0 HB2 PRO A 51 12.935 4.047 12.923 1.00 44.40 H new ATOM 0 HB3 PRO A 51 12.483 3.477 14.517 1.00 44.40 H new ATOM 0 HG2 PRO A 51 11.063 3.078 11.892 1.00 50.30 H new ATOM 0 HG3 PRO A 51 11.349 1.919 13.175 1.00 50.30 H new ATOM 0 HD2 PRO A 51 8.944 3.164 12.888 1.00 1.52 H new ATOM 0 HD3 PRO A 51 9.551 2.698 14.465 1.00 1.52 H new ATOM 584 N GLY A 52 10.661 6.033 11.656 1.00 11.42 N ATOM 585 CA GLY A 52 10.762 6.904 10.500 1.00 52.14 C ATOM 586 C GLY A 52 10.153 8.270 10.747 1.00 11.03 C ATOM 587 O GLY A 52 10.784 9.294 10.491 1.00 1.52 O ATOM 0 H GLY A 52 9.902 5.352 11.615 1.00 11.42 H new ATOM 0 HA2 GLY A 52 11.811 7.021 10.228 1.00 52.14 H new ATOM 0 HA3 GLY A 52 10.263 6.436 9.652 1.00 52.14 H new ATOM 591 N GLY A 53 8.920 8.285 11.246 1.00 4.41 N ATOM 592 CA GLY A 53 8.246 9.541 11.518 1.00 11.22 C ATOM 593 C GLY A 53 6.955 9.351 12.290 1.00 63.20 C ATOM 594 O GLY A 53 6.574 10.199 13.098 1.00 63.14 O ATOM 0 H GLY A 53 8.377 7.450 11.466 1.00 4.41 H new ATOM 0 HA2 GLY A 53 8.912 10.192 12.084 1.00 11.22 H new ATOM 0 HA3 GLY A 53 8.032 10.046 10.576 1.00 11.22 H new ATOM 598 N THR A 54 6.278 8.234 12.041 1.00 12.31 N ATOM 599 CA THR A 54 5.021 7.936 12.716 1.00 10.31 C ATOM 600 C THR A 54 4.856 6.437 12.934 1.00 60.40 C ATOM 601 O THR A 54 5.365 5.628 12.159 1.00 72.42 O ATOM 602 CB THR A 54 3.815 8.463 11.916 1.00 52.02 C ATOM 603 OG1 THR A 54 4.195 9.619 11.162 1.00 54.44 O ATOM 604 CG2 THR A 54 2.661 8.813 12.843 1.00 20.35 C ATOM 0 H THR A 54 6.579 7.521 11.377 1.00 12.31 H new ATOM 0 HA THR A 54 5.054 8.439 13.682 1.00 10.31 H new ATOM 0 HB THR A 54 3.488 7.677 11.235 1.00 52.02 H new ATOM 0 HG1 THR A 54 3.423 9.947 10.655 1.00 54.44 H new ATOM 0 HG21 THR A 54 1.821 9.183 12.255 1.00 20.35 H new ATOM 0 HG22 THR A 54 2.354 7.924 13.394 1.00 20.35 H new ATOM 0 HG23 THR A 54 2.979 9.583 13.545 1.00 20.35 H new ATOM 612 N ALA A 55 4.141 6.072 13.993 1.00 1.45 N ATOM 613 CA ALA A 55 3.907 4.669 14.311 1.00 11.34 C ATOM 614 C ALA A 55 2.930 4.039 13.325 1.00 34.32 C ATOM 615 O ALA A 55 1.748 3.875 13.626 1.00 61.20 O ATOM 616 CB ALA A 55 3.387 4.530 15.735 1.00 41.35 C ATOM 0 H ALA A 55 3.714 6.729 14.646 1.00 1.45 H new ATOM 0 HA ALA A 55 4.857 4.140 14.230 1.00 11.34 H new ATOM 0 HB1 ALA A 55 3.217 3.477 15.959 1.00 41.35 H new ATOM 0 HB2 ALA A 55 4.121 4.935 16.432 1.00 41.35 H new ATOM 0 HB3 ALA A 55 2.450 5.078 15.835 1.00 41.35 H new ATOM 622 N GLY A 56 3.431 3.687 12.145 1.00 40.11 N ATOM 623 CA GLY A 56 2.588 3.079 11.132 1.00 11.21 C ATOM 624 C GLY A 56 3.330 2.052 10.300 1.00 11.12 C ATOM 625 O GLY A 56 4.092 2.406 9.401 1.00 14.01 O ATOM 0 H GLY A 56 4.406 3.812 11.872 1.00 40.11 H new ATOM 0 HA2 GLY A 56 1.733 2.603 11.613 1.00 11.21 H new ATOM 0 HA3 GLY A 56 2.194 3.856 10.477 1.00 11.21 H new ATOM 629 N GLU A 57 3.108 0.776 10.602 1.00 42.42 N ATOM 630 CA GLU A 57 3.764 -0.305 9.876 1.00 44.41 C ATOM 631 C GLU A 57 2.870 -0.830 8.757 1.00 51.13 C ATOM 632 O GLU A 57 1.772 -0.320 8.533 1.00 32.03 O ATOM 633 CB GLU A 57 4.127 -1.444 10.831 1.00 12.31 C ATOM 634 CG GLU A 57 5.285 -2.299 10.346 1.00 20.42 C ATOM 635 CD GLU A 57 6.106 -2.871 11.486 1.00 15.22 C ATOM 636 OE1 GLU A 57 6.264 -2.173 12.510 1.00 63.12 O ATOM 637 OE2 GLU A 57 6.589 -4.015 11.355 1.00 52.40 O ATOM 0 H GLU A 57 2.480 0.466 11.343 1.00 42.42 H new ATOM 0 HA GLU A 57 4.677 0.092 9.432 1.00 44.41 H new ATOM 0 HB2 GLU A 57 4.379 -1.024 11.805 1.00 12.31 H new ATOM 0 HB3 GLU A 57 3.253 -2.079 10.975 1.00 12.31 H new ATOM 0 HG2 GLU A 57 4.898 -3.116 9.736 1.00 20.42 H new ATOM 0 HG3 GLU A 57 5.930 -1.700 9.704 1.00 20.42 H new ATOM 644 N VAL A 58 3.348 -1.853 8.055 1.00 4.34 N ATOM 645 CA VAL A 58 2.593 -2.448 6.960 1.00 62.24 C ATOM 646 C VAL A 58 2.570 -3.969 7.071 1.00 41.45 C ATOM 647 O VAL A 58 3.613 -4.620 7.021 1.00 51.32 O ATOM 648 CB VAL A 58 3.182 -2.053 5.592 1.00 30.23 C ATOM 649 CG1 VAL A 58 2.464 -2.786 4.469 1.00 32.15 C ATOM 650 CG2 VAL A 58 3.102 -0.547 5.393 1.00 23.14 C ATOM 0 H VAL A 58 4.255 -2.287 8.226 1.00 4.34 H new ATOM 0 HA VAL A 58 1.575 -2.066 7.033 1.00 62.24 H new ATOM 0 HB VAL A 58 4.232 -2.345 5.570 1.00 30.23 H new ATOM 0 HG11 VAL A 58 2.894 -2.494 3.511 1.00 32.15 H new ATOM 0 HG12 VAL A 58 2.578 -3.861 4.605 1.00 32.15 H new ATOM 0 HG13 VAL A 58 1.405 -2.528 4.485 1.00 32.15 H new ATOM 0 HG21 VAL A 58 3.522 -0.285 4.422 1.00 23.14 H new ATOM 0 HG22 VAL A 58 2.060 -0.229 5.435 1.00 23.14 H new ATOM 0 HG23 VAL A 58 3.666 -0.046 6.179 1.00 23.14 H new ATOM 660 N GLU A 59 1.373 -4.527 7.221 1.00 62.54 N ATOM 661 CA GLU A 59 1.215 -5.972 7.339 1.00 60.20 C ATOM 662 C GLU A 59 0.965 -6.606 5.973 1.00 13.34 C ATOM 663 O GLU A 59 0.550 -5.932 5.030 1.00 71.14 O ATOM 664 CB GLU A 59 0.061 -6.305 8.287 1.00 22.31 C ATOM 665 CG GLU A 59 -1.300 -6.308 7.612 1.00 70.11 C ATOM 666 CD GLU A 59 -2.421 -6.684 8.561 1.00 72.41 C ATOM 667 OE1 GLU A 59 -2.417 -6.194 9.709 1.00 14.40 O ATOM 668 OE2 GLU A 59 -3.303 -7.470 8.154 1.00 21.15 O ATOM 0 H GLU A 59 0.500 -4.002 7.264 1.00 62.54 H new ATOM 0 HA GLU A 59 2.140 -6.381 7.746 1.00 60.20 H new ATOM 0 HB2 GLU A 59 0.239 -7.284 8.732 1.00 22.31 H new ATOM 0 HB3 GLU A 59 0.051 -5.581 9.102 1.00 22.31 H new ATOM 0 HG2 GLU A 59 -1.497 -5.320 7.196 1.00 70.11 H new ATOM 0 HG3 GLU A 59 -1.286 -7.008 6.777 1.00 70.11 H new ATOM 675 N THR A 60 1.221 -7.907 5.875 1.00 14.32 N ATOM 676 CA THR A 60 1.025 -8.632 4.626 1.00 4.12 C ATOM 677 C THR A 60 0.267 -9.934 4.859 1.00 3.30 C ATOM 678 O THR A 60 0.752 -10.830 5.549 1.00 5.41 O ATOM 679 CB THR A 60 2.370 -8.949 3.945 1.00 52.34 C ATOM 680 OG1 THR A 60 2.172 -9.892 2.885 1.00 12.14 O ATOM 681 CG2 THR A 60 3.367 -9.508 4.948 1.00 10.33 C ATOM 0 H THR A 60 1.565 -8.480 6.646 1.00 14.32 H new ATOM 0 HA THR A 60 0.438 -7.986 3.973 1.00 4.12 H new ATOM 0 HB THR A 60 2.772 -8.022 3.536 1.00 52.34 H new ATOM 0 HG1 THR A 60 3.031 -10.087 2.456 1.00 12.14 H new ATOM 0 HG21 THR A 60 4.309 -9.724 4.443 1.00 10.33 H new ATOM 0 HG22 THR A 60 3.538 -8.776 5.738 1.00 10.33 H new ATOM 0 HG23 THR A 60 2.970 -10.425 5.383 1.00 10.33 H new ATOM 689 N GLU A 61 -0.925 -10.031 4.278 1.00 25.33 N ATOM 690 CA GLU A 61 -1.749 -11.225 4.424 1.00 70.23 C ATOM 691 C GLU A 61 -2.370 -11.624 3.088 1.00 45.12 C ATOM 692 O GLU A 61 -2.405 -10.832 2.145 1.00 34.22 O ATOM 693 CB GLU A 61 -2.850 -10.989 5.460 1.00 51.54 C ATOM 694 CG GLU A 61 -2.559 -11.617 6.812 1.00 62.11 C ATOM 695 CD GLU A 61 -3.509 -12.751 7.145 1.00 64.43 C ATOM 696 OE1 GLU A 61 -3.769 -13.587 6.254 1.00 65.31 O ATOM 697 OE2 GLU A 61 -3.992 -12.803 8.295 1.00 61.12 O ATOM 0 H GLU A 61 -1.341 -9.298 3.703 1.00 25.33 H new ATOM 0 HA GLU A 61 -1.108 -12.038 4.765 1.00 70.23 H new ATOM 0 HB2 GLU A 61 -2.991 -9.916 5.590 1.00 51.54 H new ATOM 0 HB3 GLU A 61 -3.789 -11.389 5.077 1.00 51.54 H new ATOM 0 HG2 GLU A 61 -1.535 -11.991 6.822 1.00 62.11 H new ATOM 0 HG3 GLU A 61 -2.627 -10.852 7.586 1.00 62.11 H new ATOM 704 N THR A 62 -2.857 -12.858 3.014 1.00 74.44 N ATOM 705 CA THR A 62 -3.475 -13.364 1.794 1.00 22.21 C ATOM 706 C THR A 62 -4.950 -13.679 2.014 1.00 11.53 C ATOM 707 O THR A 62 -5.361 -14.036 3.117 1.00 23.34 O ATOM 708 CB THR A 62 -2.762 -14.632 1.287 1.00 5.14 C ATOM 709 OG1 THR A 62 -1.569 -14.860 2.047 1.00 53.01 O ATOM 710 CG2 THR A 62 -2.412 -14.503 -0.188 1.00 34.43 C ATOM 0 H THR A 62 -2.836 -13.526 3.784 1.00 74.44 H new ATOM 0 HA THR A 62 -3.382 -12.579 1.044 1.00 22.21 H new ATOM 0 HB THR A 62 -3.439 -15.477 1.411 1.00 5.14 H new ATOM 0 HG1 THR A 62 -1.122 -15.669 1.720 1.00 53.01 H new ATOM 0 HG21 THR A 62 -1.909 -15.410 -0.523 1.00 34.43 H new ATOM 0 HG22 THR A 62 -3.324 -14.358 -0.767 1.00 34.43 H new ATOM 0 HG23 THR A 62 -1.751 -13.648 -0.332 1.00 34.43 H new ATOM 718 N GLY A 63 -5.744 -13.543 0.956 1.00 22.11 N ATOM 719 CA GLY A 63 -7.165 -13.817 1.055 1.00 34.42 C ATOM 720 C GLY A 63 -7.651 -14.760 -0.028 1.00 22.53 C ATOM 721 O GLY A 63 -6.949 -15.699 -0.402 1.00 23.10 O ATOM 0 H GLY A 63 -5.428 -13.248 0.032 1.00 22.11 H new ATOM 0 HA2 GLY A 63 -7.381 -14.249 2.032 1.00 34.42 H new ATOM 0 HA3 GLY A 63 -7.718 -12.880 0.991 1.00 34.42 H new ATOM 725 N GLU A 64 -8.856 -14.511 -0.531 1.00 21.42 N ATOM 726 CA GLU A 64 -9.435 -15.348 -1.575 1.00 64.15 C ATOM 727 C GLU A 64 -9.017 -14.858 -2.959 1.00 1.11 C ATOM 728 O GLU A 64 -9.044 -15.612 -3.931 1.00 2.32 O ATOM 729 CB GLU A 64 -10.961 -15.358 -1.465 1.00 43.31 C ATOM 730 CG GLU A 64 -11.578 -13.969 -1.440 1.00 61.43 C ATOM 731 CD GLU A 64 -12.891 -13.901 -2.196 1.00 22.10 C ATOM 732 OE1 GLU A 64 -12.907 -14.259 -3.392 1.00 60.21 O ATOM 733 OE2 GLU A 64 -13.902 -13.490 -1.590 1.00 55.52 O ATOM 0 H GLU A 64 -9.450 -13.737 -0.233 1.00 21.42 H new ATOM 0 HA GLU A 64 -9.062 -16.363 -1.439 1.00 64.15 H new ATOM 0 HB2 GLU A 64 -11.374 -15.915 -2.306 1.00 43.31 H new ATOM 0 HB3 GLU A 64 -11.248 -15.890 -0.558 1.00 43.31 H new ATOM 0 HG2 GLU A 64 -11.742 -13.667 -0.406 1.00 61.43 H new ATOM 0 HG3 GLU A 64 -10.876 -13.256 -1.873 1.00 61.43 H new ATOM 740 N GLY A 65 -8.631 -13.588 -3.039 1.00 11.10 N ATOM 741 CA GLY A 65 -8.214 -13.018 -4.307 1.00 1.13 C ATOM 742 C GLY A 65 -6.706 -12.932 -4.435 1.00 51.53 C ATOM 743 O GLY A 65 -6.021 -13.953 -4.485 1.00 12.35 O ATOM 0 H GLY A 65 -8.600 -12.944 -2.249 1.00 11.10 H new ATOM 0 HA2 GLY A 65 -8.611 -13.623 -5.122 1.00 1.13 H new ATOM 0 HA3 GLY A 65 -8.642 -12.021 -4.412 1.00 1.13 H new ATOM 747 N ALA A 66 -6.188 -11.709 -4.492 1.00 24.23 N ATOM 748 CA ALA A 66 -4.751 -11.494 -4.615 1.00 53.53 C ATOM 749 C ALA A 66 -4.191 -10.803 -3.376 1.00 72.04 C ATOM 750 O ALA A 66 -3.692 -11.458 -2.462 1.00 4.41 O ATOM 751 CB ALA A 66 -4.446 -10.676 -5.861 1.00 43.43 C ATOM 0 H ALA A 66 -6.741 -10.853 -4.455 1.00 24.23 H new ATOM 0 HA ALA A 66 -4.269 -12.467 -4.705 1.00 53.53 H new ATOM 0 HB1 ALA A 66 -3.370 -10.523 -5.941 1.00 43.43 H new ATOM 0 HB2 ALA A 66 -4.803 -11.209 -6.742 1.00 43.43 H new ATOM 0 HB3 ALA A 66 -4.946 -9.710 -5.793 1.00 43.43 H new ATOM 757 N ALA A 67 -4.277 -9.477 -3.354 1.00 35.02 N ATOM 758 CA ALA A 67 -3.780 -8.698 -2.226 1.00 73.34 C ATOM 759 C ALA A 67 -4.735 -8.778 -1.040 1.00 55.04 C ATOM 760 O ALA A 67 -5.943 -8.596 -1.191 1.00 32.03 O ATOM 761 CB ALA A 67 -3.568 -7.249 -2.639 1.00 24.22 C ATOM 0 H ALA A 67 -4.686 -8.920 -4.104 1.00 35.02 H new ATOM 0 HA ALA A 67 -2.824 -9.120 -1.917 1.00 73.34 H new ATOM 0 HB1 ALA A 67 -3.197 -6.679 -1.788 1.00 24.22 H new ATOM 0 HB2 ALA A 67 -2.841 -7.204 -3.450 1.00 24.22 H new ATOM 0 HB3 ALA A 67 -4.514 -6.824 -2.976 1.00 24.22 H new ATOM 767 N ALA A 68 -4.186 -9.052 0.138 1.00 12.24 N ATOM 768 CA ALA A 68 -4.990 -9.154 1.350 1.00 23.32 C ATOM 769 C ALA A 68 -4.183 -8.752 2.580 1.00 44.52 C ATOM 770 O ALA A 68 -3.987 -9.551 3.495 1.00 25.40 O ATOM 771 CB ALA A 68 -5.527 -10.569 1.509 1.00 2.03 C ATOM 0 H ALA A 68 -3.188 -9.207 0.279 1.00 12.24 H new ATOM 0 HA ALA A 68 -5.830 -8.466 1.258 1.00 23.32 H new ATOM 0 HB1 ALA A 68 -6.125 -10.631 2.418 1.00 2.03 H new ATOM 0 HB2 ALA A 68 -6.147 -10.822 0.649 1.00 2.03 H new ATOM 0 HB3 ALA A 68 -4.694 -11.269 1.575 1.00 2.03 H new ATOM 777 N TYR A 69 -3.716 -7.508 2.594 1.00 13.20 N ATOM 778 CA TYR A 69 -2.927 -7.000 3.710 1.00 34.12 C ATOM 779 C TYR A 69 -3.500 -5.684 4.228 1.00 44.14 C ATOM 780 O TYR A 69 -4.601 -5.283 3.853 1.00 3.43 O ATOM 781 CB TYR A 69 -1.471 -6.804 3.285 1.00 12.12 C ATOM 782 CG TYR A 69 -1.276 -5.678 2.295 1.00 3.34 C ATOM 783 CD1 TYR A 69 -1.839 -5.736 1.027 1.00 41.33 C ATOM 784 CD2 TYR A 69 -0.528 -4.555 2.630 1.00 53.03 C ATOM 785 CE1 TYR A 69 -1.662 -4.709 0.119 1.00 31.42 C ATOM 786 CE2 TYR A 69 -0.347 -3.523 1.729 1.00 35.20 C ATOM 787 CZ TYR A 69 -0.916 -3.605 0.475 1.00 61.30 C ATOM 788 OH TYR A 69 -0.739 -2.580 -0.426 1.00 24.12 O ATOM 0 H TYR A 69 -3.870 -6.833 1.845 1.00 13.20 H new ATOM 0 HA TYR A 69 -2.967 -7.734 4.515 1.00 34.12 H new ATOM 0 HB2 TYR A 69 -0.866 -6.607 4.170 1.00 12.12 H new ATOM 0 HB3 TYR A 69 -1.101 -7.731 2.846 1.00 12.12 H new ATOM 0 HD1 TYR A 69 -2.425 -6.598 0.745 1.00 41.33 H new ATOM 0 HD2 TYR A 69 -0.081 -4.488 3.611 1.00 53.03 H new ATOM 0 HE1 TYR A 69 -2.105 -4.771 -0.864 1.00 31.42 H new ATOM 0 HE2 TYR A 69 0.237 -2.657 2.005 1.00 35.20 H new ATOM 0 HH TYR A 69 -0.491 -1.762 0.054 1.00 24.12 H new ATOM 798 N GLY A 70 -2.742 -5.015 5.092 1.00 65.44 N ATOM 799 CA GLY A 70 -3.188 -3.751 5.647 1.00 71.11 C ATOM 800 C GLY A 70 -2.038 -2.894 6.137 1.00 24.50 C ATOM 801 O GLY A 70 -0.923 -3.384 6.319 1.00 21.21 O ATOM 0 H GLY A 70 -1.827 -5.326 5.417 1.00 65.44 H new ATOM 0 HA2 GLY A 70 -3.748 -3.203 4.890 1.00 71.11 H new ATOM 0 HA3 GLY A 70 -3.872 -3.942 6.474 1.00 71.11 H new ATOM 805 N VAL A 71 -2.307 -1.610 6.350 1.00 62.31 N ATOM 806 CA VAL A 71 -1.285 -0.683 6.821 1.00 12.12 C ATOM 807 C VAL A 71 -1.835 0.234 7.908 1.00 23.13 C ATOM 808 O VAL A 71 -2.818 0.945 7.698 1.00 41.24 O ATOM 809 CB VAL A 71 -0.734 0.178 5.669 1.00 12.11 C ATOM 810 CG1 VAL A 71 0.164 1.281 6.209 1.00 62.45 C ATOM 811 CG2 VAL A 71 0.014 -0.689 4.668 1.00 42.44 C ATOM 0 H VAL A 71 -3.224 -1.188 6.204 1.00 62.31 H new ATOM 0 HA VAL A 71 -0.476 -1.286 7.233 1.00 12.12 H new ATOM 0 HB VAL A 71 -1.573 0.646 5.154 1.00 12.11 H new ATOM 0 HG11 VAL A 71 0.544 1.879 5.381 1.00 62.45 H new ATOM 0 HG12 VAL A 71 -0.408 1.918 6.884 1.00 62.45 H new ATOM 0 HG13 VAL A 71 1.000 0.837 6.750 1.00 62.45 H new ATOM 0 HG21 VAL A 71 0.397 -0.065 3.861 1.00 42.44 H new ATOM 0 HG22 VAL A 71 0.845 -1.186 5.167 1.00 42.44 H new ATOM 0 HG23 VAL A 71 -0.663 -1.438 4.258 1.00 42.44 H new ATOM 821 N LEU A 72 -1.194 0.213 9.072 1.00 63.13 N ATOM 822 CA LEU A 72 -1.617 1.043 10.194 1.00 55.32 C ATOM 823 C LEU A 72 -0.602 2.148 10.468 1.00 22.30 C ATOM 824 O LEU A 72 0.607 1.932 10.374 1.00 75.21 O ATOM 825 CB LEU A 72 -1.806 0.185 11.446 1.00 4.31 C ATOM 826 CG LEU A 72 -0.845 -0.994 11.602 1.00 34.40 C ATOM 827 CD1 LEU A 72 -1.156 -2.075 10.577 1.00 0.55 C ATOM 828 CD2 LEU A 72 0.597 -0.529 11.468 1.00 23.04 C ATOM 0 H LEU A 72 -0.379 -0.370 9.263 1.00 63.13 H new ATOM 0 HA LEU A 72 -2.568 1.507 9.932 1.00 55.32 H new ATOM 0 HB2 LEU A 72 -1.706 0.827 12.321 1.00 4.31 H new ATOM 0 HB3 LEU A 72 -2.826 -0.200 11.448 1.00 4.31 H new ATOM 0 HG LEU A 72 -0.978 -1.417 12.598 1.00 34.40 H new ATOM 0 HD11 LEU A 72 -0.462 -2.906 10.703 1.00 0.55 H new ATOM 0 HD12 LEU A 72 -2.177 -2.429 10.720 1.00 0.55 H new ATOM 0 HD13 LEU A 72 -1.052 -1.665 9.573 1.00 0.55 H new ATOM 0 HD21 LEU A 72 1.266 -1.382 11.582 1.00 23.04 H new ATOM 0 HD22 LEU A 72 0.745 -0.080 10.486 1.00 23.04 H new ATOM 0 HD23 LEU A 72 0.815 0.209 12.240 1.00 23.04 H new ATOM 840 N VAL A 73 -1.100 3.332 10.810 1.00 74.42 N ATOM 841 CA VAL A 73 -0.237 4.470 11.101 1.00 22.55 C ATOM 842 C VAL A 73 -0.907 5.432 12.075 1.00 5.43 C ATOM 843 O VAL A 73 -2.017 5.907 11.833 1.00 44.34 O ATOM 844 CB VAL A 73 0.138 5.233 9.817 1.00 10.35 C ATOM 845 CG1 VAL A 73 -1.113 5.714 9.098 1.00 62.14 C ATOM 846 CG2 VAL A 73 1.058 6.400 10.142 1.00 42.43 C ATOM 0 H VAL A 73 -2.098 3.528 10.892 1.00 74.42 H new ATOM 0 HA VAL A 73 0.670 4.072 11.555 1.00 22.55 H new ATOM 0 HB VAL A 73 0.671 4.553 9.152 1.00 10.35 H new ATOM 0 HG11 VAL A 73 -0.829 6.251 8.193 1.00 62.14 H new ATOM 0 HG12 VAL A 73 -1.732 4.857 8.832 1.00 62.14 H new ATOM 0 HG13 VAL A 73 -1.676 6.379 9.753 1.00 62.14 H new ATOM 0 HG21 VAL A 73 1.313 6.929 9.224 1.00 42.43 H new ATOM 0 HG22 VAL A 73 0.552 7.083 10.825 1.00 42.43 H new ATOM 0 HG23 VAL A 73 1.968 6.026 10.611 1.00 42.43 H new ATOM 856 N THR A 74 -0.224 5.718 13.180 1.00 13.20 N ATOM 857 CA THR A 74 -0.753 6.624 14.192 1.00 42.21 C ATOM 858 C THR A 74 0.298 6.939 15.251 1.00 74.40 C ATOM 859 O THR A 74 1.426 7.311 14.928 1.00 12.04 O ATOM 860 CB THR A 74 -1.998 6.033 14.880 1.00 51.44 C ATOM 861 OG1 THR A 74 -2.824 5.373 13.914 1.00 12.50 O ATOM 862 CG2 THR A 74 -2.798 7.122 15.579 1.00 4.22 C ATOM 0 H THR A 74 0.696 5.335 13.396 1.00 13.20 H new ATOM 0 HA THR A 74 -1.034 7.543 13.678 1.00 42.21 H new ATOM 0 HB THR A 74 -1.666 5.312 15.627 1.00 51.44 H new ATOM 0 HG1 THR A 74 -2.942 5.954 13.133 1.00 12.50 H new ATOM 0 HG21 THR A 74 -3.672 6.681 16.058 1.00 4.22 H new ATOM 0 HG22 THR A 74 -2.176 7.603 16.333 1.00 4.22 H new ATOM 0 HG23 THR A 74 -3.120 7.863 14.848 1.00 4.22 H new ATOM 870 N ARG A 75 -0.080 6.786 16.516 1.00 71.40 N ATOM 871 CA ARG A 75 0.830 7.054 17.623 1.00 61.02 C ATOM 872 C ARG A 75 1.357 5.753 18.221 1.00 63.12 C ATOM 873 O ARG A 75 0.638 4.762 18.345 1.00 73.42 O ATOM 874 CB ARG A 75 0.125 7.875 18.703 1.00 14.45 C ATOM 875 CG ARG A 75 -0.367 9.229 18.216 1.00 25.23 C ATOM 876 CD ARG A 75 -0.725 10.143 19.378 1.00 61.52 C ATOM 877 NE ARG A 75 -2.132 10.533 19.353 1.00 42.31 N ATOM 878 CZ ARG A 75 -2.627 11.444 18.522 1.00 71.31 C ATOM 879 NH1 ARG A 75 -1.834 12.054 17.652 1.00 23.52 N ATOM 880 NH2 ARG A 75 -3.919 11.745 18.560 1.00 43.43 N ATOM 0 H ARG A 75 -1.010 6.478 16.800 1.00 71.40 H new ATOM 0 HA ARG A 75 1.675 7.624 17.236 1.00 61.02 H new ATOM 0 HB2 ARG A 75 -0.723 7.306 19.085 1.00 14.45 H new ATOM 0 HB3 ARG A 75 0.810 8.026 19.538 1.00 14.45 H new ATOM 0 HG2 ARG A 75 0.404 9.699 17.606 1.00 25.23 H new ATOM 0 HG3 ARG A 75 -1.240 9.092 17.577 1.00 25.23 H new ATOM 0 HD2 ARG A 75 -0.506 9.637 20.318 1.00 61.52 H new ATOM 0 HD3 ARG A 75 -0.101 11.036 19.343 1.00 61.52 H new ATOM 0 HE ARG A 75 -2.769 10.082 20.009 1.00 42.31 H new ATOM 0 HH11 ARG A 75 -0.841 11.824 17.619 1.00 23.52 H new ATOM 0 HH12 ARG A 75 -2.217 12.753 17.015 1.00 23.52 H new ATOM 0 HH21 ARG A 75 -4.532 11.277 19.227 1.00 43.43 H new ATOM 0 HH22 ARG A 75 -4.299 12.444 17.922 1.00 43.43 H new ATOM 894 N PRO A 76 2.644 5.754 18.600 1.00 12.32 N ATOM 895 CA PRO A 76 3.296 4.582 19.191 1.00 0.13 C ATOM 896 C PRO A 76 2.781 4.278 20.594 1.00 70.21 C ATOM 897 O PRO A 76 3.400 3.522 21.342 1.00 23.44 O ATOM 898 CB PRO A 76 4.772 4.984 19.239 1.00 3.12 C ATOM 899 CG PRO A 76 4.758 6.473 19.285 1.00 41.13 C ATOM 900 CD PRO A 76 3.561 6.900 18.482 1.00 54.52 C ATOM 0 HA PRO A 76 3.105 3.676 18.616 1.00 0.13 H new ATOM 0 HB2 PRO A 76 5.268 4.566 20.115 1.00 3.12 H new ATOM 0 HB3 PRO A 76 5.310 4.620 18.364 1.00 3.12 H new ATOM 0 HG2 PRO A 76 4.687 6.831 20.312 1.00 41.13 H new ATOM 0 HG3 PRO A 76 5.676 6.885 18.866 1.00 41.13 H new ATOM 0 HD2 PRO A 76 3.116 7.813 18.878 1.00 54.52 H new ATOM 0 HD3 PRO A 76 3.824 7.099 17.443 1.00 54.52 H new ATOM 908 N ASP A 77 1.645 4.871 20.943 1.00 32.14 N ATOM 909 CA ASP A 77 1.046 4.662 22.256 1.00 35.23 C ATOM 910 C ASP A 77 0.019 3.534 22.212 1.00 40.23 C ATOM 911 O ASP A 77 -0.896 3.482 23.032 1.00 74.41 O ATOM 912 CB ASP A 77 0.385 5.950 22.750 1.00 24.02 C ATOM 913 CG ASP A 77 1.330 6.808 23.568 1.00 23.03 C ATOM 914 OD1 ASP A 77 2.168 6.237 24.297 1.00 5.51 O ATOM 915 OD2 ASP A 77 1.231 8.050 23.481 1.00 61.04 O ATOM 0 H ASP A 77 1.120 5.500 20.335 1.00 32.14 H new ATOM 0 HA ASP A 77 1.839 4.381 22.949 1.00 35.23 H new ATOM 0 HB2 ASP A 77 0.027 6.523 21.894 1.00 24.02 H new ATOM 0 HB3 ASP A 77 -0.488 5.699 23.353 1.00 24.02 H new ATOM 920 N GLY A 78 0.178 2.634 21.247 1.00 70.54 N ATOM 921 CA GLY A 78 -0.743 1.520 21.112 1.00 22.11 C ATOM 922 C GLY A 78 -1.984 1.886 20.324 1.00 54.25 C ATOM 923 O GLY A 78 -2.753 1.013 19.919 1.00 42.14 O ATOM 0 H GLY A 78 0.928 2.656 20.556 1.00 70.54 H new ATOM 0 HA2 GLY A 78 -0.235 0.691 20.620 1.00 22.11 H new ATOM 0 HA3 GLY A 78 -1.035 1.172 22.103 1.00 22.11 H new ATOM 927 N THR A 79 -2.184 3.182 20.105 1.00 11.41 N ATOM 928 CA THR A 79 -3.342 3.663 19.363 1.00 74.24 C ATOM 929 C THR A 79 -2.982 3.956 17.911 1.00 70.33 C ATOM 930 O THR A 79 -2.355 4.971 17.610 1.00 45.32 O ATOM 931 CB THR A 79 -3.930 4.936 20.001 1.00 73.44 C ATOM 932 OG1 THR A 79 -4.937 5.491 19.147 1.00 3.50 O ATOM 933 CG2 THR A 79 -2.842 5.969 20.249 1.00 63.20 C ATOM 0 H THR A 79 -1.558 3.918 20.432 1.00 11.41 H new ATOM 0 HA THR A 79 -4.090 2.870 19.397 1.00 74.24 H new ATOM 0 HB THR A 79 -4.375 4.664 20.958 1.00 73.44 H new ATOM 0 HG1 THR A 79 -5.307 6.299 19.560 1.00 3.50 H new ATOM 0 HG21 THR A 79 -3.281 6.859 20.700 1.00 63.20 H new ATOM 0 HG22 THR A 79 -2.092 5.553 20.922 1.00 63.20 H new ATOM 0 HG23 THR A 79 -2.371 6.236 19.303 1.00 63.20 H new ATOM 941 N ARG A 80 -3.383 3.061 17.014 1.00 32.51 N ATOM 942 CA ARG A 80 -3.102 3.223 15.593 1.00 44.51 C ATOM 943 C ARG A 80 -4.323 2.865 14.752 1.00 54.10 C ATOM 944 O ARG A 80 -5.257 2.224 15.236 1.00 41.54 O ATOM 945 CB ARG A 80 -1.914 2.351 15.183 1.00 4.14 C ATOM 946 CG ARG A 80 -2.075 0.887 15.558 1.00 32.03 C ATOM 947 CD ARG A 80 -0.793 0.106 15.318 1.00 20.40 C ATOM 948 NE ARG A 80 0.396 0.899 15.619 1.00 31.40 N ATOM 949 CZ ARG A 80 0.738 1.273 16.847 1.00 62.22 C ATOM 950 NH1 ARG A 80 -0.014 0.927 17.883 1.00 42.24 N ATOM 951 NH2 ARG A 80 1.835 1.994 17.040 1.00 22.33 N ATOM 0 H ARG A 80 -3.904 2.216 17.247 1.00 32.51 H new ATOM 0 HA ARG A 80 -2.854 4.270 15.415 1.00 44.51 H new ATOM 0 HB2 ARG A 80 -1.773 2.428 14.105 1.00 4.14 H new ATOM 0 HB3 ARG A 80 -1.010 2.740 15.651 1.00 4.14 H new ATOM 0 HG2 ARG A 80 -2.359 0.808 16.607 1.00 32.03 H new ATOM 0 HG3 ARG A 80 -2.884 0.448 14.975 1.00 32.03 H new ATOM 0 HD2 ARG A 80 -0.795 -0.793 15.935 1.00 20.40 H new ATOM 0 HD3 ARG A 80 -0.757 -0.221 14.279 1.00 20.40 H new ATOM 0 HE ARG A 80 0.996 1.181 14.844 1.00 31.40 H new ATOM 0 HH11 ARG A 80 -0.858 0.372 17.738 1.00 42.24 H new ATOM 0 HH12 ARG A 80 0.251 1.216 18.825 1.00 42.24 H new ATOM 0 HH21 ARG A 80 2.416 2.261 16.245 1.00 22.33 H new ATOM 0 HH22 ARG A 80 2.097 2.281 17.983 1.00 22.33 H new ATOM 965 N VAL A 81 -4.310 3.283 13.490 1.00 15.43 N ATOM 966 CA VAL A 81 -5.417 3.006 12.582 1.00 45.44 C ATOM 967 C VAL A 81 -4.971 2.112 11.431 1.00 71.54 C ATOM 968 O VAL A 81 -4.281 2.559 10.515 1.00 13.12 O ATOM 969 CB VAL A 81 -6.010 4.306 12.007 1.00 42.51 C ATOM 970 CG1 VAL A 81 -7.217 4.002 11.134 1.00 55.13 C ATOM 971 CG2 VAL A 81 -6.381 5.264 13.129 1.00 4.11 C ATOM 0 H VAL A 81 -3.545 3.814 13.073 1.00 15.43 H new ATOM 0 HA VAL A 81 -6.183 2.492 13.163 1.00 45.44 H new ATOM 0 HB VAL A 81 -5.254 4.786 11.385 1.00 42.51 H new ATOM 0 HG11 VAL A 81 -7.622 4.933 10.737 1.00 55.13 H new ATOM 0 HG12 VAL A 81 -6.916 3.356 10.309 1.00 55.13 H new ATOM 0 HG13 VAL A 81 -7.979 3.499 11.729 1.00 55.13 H new ATOM 0 HG21 VAL A 81 -6.798 6.177 12.705 1.00 4.11 H new ATOM 0 HG22 VAL A 81 -7.120 4.795 13.779 1.00 4.11 H new ATOM 0 HG23 VAL A 81 -5.491 5.507 13.709 1.00 4.11 H new ATOM 981 N GLU A 82 -5.371 0.845 11.484 1.00 71.11 N ATOM 982 CA GLU A 82 -5.012 -0.113 10.445 1.00 73.21 C ATOM 983 C GLU A 82 -6.041 -0.104 9.318 1.00 72.51 C ATOM 984 O GLU A 82 -7.245 -0.024 9.562 1.00 72.30 O ATOM 985 CB GLU A 82 -4.898 -1.520 11.035 1.00 70.30 C ATOM 986 CG GLU A 82 -6.220 -2.082 11.530 1.00 73.14 C ATOM 987 CD GLU A 82 -6.514 -3.460 10.970 1.00 74.40 C ATOM 988 OE1 GLU A 82 -6.026 -3.766 9.862 1.00 75.53 O ATOM 989 OE2 GLU A 82 -7.232 -4.232 11.639 1.00 31.43 O ATOM 0 H GLU A 82 -5.943 0.459 12.235 1.00 71.11 H new ATOM 0 HA GLU A 82 -4.046 0.180 10.034 1.00 73.21 H new ATOM 0 HB2 GLU A 82 -4.489 -2.190 10.279 1.00 70.30 H new ATOM 0 HB3 GLU A 82 -4.188 -1.501 11.862 1.00 70.30 H new ATOM 0 HG2 GLU A 82 -6.204 -2.132 12.619 1.00 73.14 H new ATOM 0 HG3 GLU A 82 -7.026 -1.402 11.254 1.00 73.14 H new ATOM 996 N VAL A 83 -5.558 -0.187 8.082 1.00 3.14 N ATOM 997 CA VAL A 83 -6.434 -0.189 6.917 1.00 21.11 C ATOM 998 C VAL A 83 -6.338 -1.509 6.160 1.00 44.44 C ATOM 999 O VAL A 83 -5.277 -2.133 6.111 1.00 35.33 O ATOM 1000 CB VAL A 83 -6.095 0.967 5.958 1.00 43.14 C ATOM 1001 CG1 VAL A 83 -6.239 2.307 6.663 1.00 31.34 C ATOM 1002 CG2 VAL A 83 -4.691 0.799 5.397 1.00 5.11 C ATOM 0 H VAL A 83 -4.564 -0.254 7.862 1.00 3.14 H new ATOM 0 HA VAL A 83 -7.452 -0.058 7.285 1.00 21.11 H new ATOM 0 HB VAL A 83 -6.800 0.944 5.127 1.00 43.14 H new ATOM 0 HG11 VAL A 83 -5.995 3.111 5.969 1.00 31.34 H new ATOM 0 HG12 VAL A 83 -7.265 2.427 7.011 1.00 31.34 H new ATOM 0 HG13 VAL A 83 -5.560 2.345 7.515 1.00 31.34 H new ATOM 0 HG21 VAL A 83 -4.468 1.625 4.721 1.00 5.11 H new ATOM 0 HG22 VAL A 83 -3.970 0.795 6.215 1.00 5.11 H new ATOM 0 HG23 VAL A 83 -4.627 -0.143 4.852 1.00 5.11 H new ATOM 1012 N HIS A 84 -7.452 -1.928 5.568 1.00 2.20 N ATOM 1013 CA HIS A 84 -7.493 -3.174 4.811 1.00 51.32 C ATOM 1014 C HIS A 84 -7.352 -2.906 3.315 1.00 13.54 C ATOM 1015 O HIS A 84 -8.126 -2.143 2.735 1.00 12.33 O ATOM 1016 CB HIS A 84 -8.799 -3.920 5.086 1.00 10.53 C ATOM 1017 CG HIS A 84 -8.651 -5.410 5.079 1.00 3.10 C ATOM 1018 ND1 HIS A 84 -9.559 -6.260 5.674 1.00 11.52 N ATOM 1019 CD2 HIS A 84 -7.693 -6.202 4.543 1.00 42.44 C ATOM 1020 CE1 HIS A 84 -9.166 -7.509 5.506 1.00 65.33 C ATOM 1021 NE2 HIS A 84 -8.036 -7.502 4.822 1.00 43.34 N ATOM 0 H HIS A 84 -8.338 -1.423 5.598 1.00 2.20 H new ATOM 0 HA HIS A 84 -6.655 -3.793 5.132 1.00 51.32 H new ATOM 0 HB2 HIS A 84 -9.190 -3.607 6.054 1.00 10.53 H new ATOM 0 HB3 HIS A 84 -9.536 -3.633 4.336 1.00 10.53 H new ATOM 0 HD2 HIS A 84 -6.821 -5.873 3.997 1.00 42.44 H new ATOM 0 HE1 HIS A 84 -9.681 -8.387 5.867 1.00 65.33 H new ATOM 0 HE2 HIS A 84 -7.505 -8.328 4.546 1.00 43.34 H new ATOM 1029 N LEU A 85 -6.360 -3.536 2.697 1.00 31.21 N ATOM 1030 CA LEU A 85 -6.117 -3.365 1.269 1.00 72.32 C ATOM 1031 C LEU A 85 -6.253 -4.693 0.531 1.00 64.33 C ATOM 1032 O LEU A 85 -5.357 -5.536 0.580 1.00 61.41 O ATOM 1033 CB LEU A 85 -4.724 -2.779 1.035 1.00 1.41 C ATOM 1034 CG LEU A 85 -4.007 -2.239 2.273 1.00 42.52 C ATOM 1035 CD1 LEU A 85 -2.723 -1.525 1.877 1.00 14.22 C ATOM 1036 CD2 LEU A 85 -4.920 -1.304 3.053 1.00 30.21 C ATOM 0 H LEU A 85 -5.710 -4.170 3.162 1.00 31.21 H new ATOM 0 HA LEU A 85 -6.865 -2.675 0.878 1.00 72.32 H new ATOM 0 HB2 LEU A 85 -4.098 -3.550 0.585 1.00 1.41 H new ATOM 0 HB3 LEU A 85 -4.809 -1.972 0.308 1.00 1.41 H new ATOM 0 HG LEU A 85 -3.748 -3.081 2.915 1.00 42.52 H new ATOM 0 HD11 LEU A 85 -2.226 -1.147 2.771 1.00 14.22 H new ATOM 0 HD12 LEU A 85 -2.063 -2.223 1.362 1.00 14.22 H new ATOM 0 HD13 LEU A 85 -2.959 -0.693 1.214 1.00 14.22 H new ATOM 0 HD21 LEU A 85 -4.393 -0.929 3.931 1.00 30.21 H new ATOM 0 HD22 LEU A 85 -5.210 -0.466 2.419 1.00 30.21 H new ATOM 0 HD23 LEU A 85 -5.811 -1.846 3.369 1.00 30.21 H new ATOM 1048 N ASP A 86 -7.377 -4.871 -0.154 1.00 62.32 N ATOM 1049 CA ASP A 86 -7.628 -6.095 -0.906 1.00 34.40 C ATOM 1050 C ASP A 86 -8.101 -5.777 -2.321 1.00 14.32 C ATOM 1051 O ASP A 86 -9.203 -5.263 -2.517 1.00 31.33 O ATOM 1052 CB ASP A 86 -8.670 -6.955 -0.188 1.00 70.02 C ATOM 1053 CG ASP A 86 -8.392 -8.439 -0.328 1.00 0.21 C ATOM 1054 OD1 ASP A 86 -8.458 -8.951 -1.465 1.00 42.44 O ATOM 1055 OD2 ASP A 86 -8.108 -9.088 0.700 1.00 64.11 O ATOM 0 H ASP A 86 -8.129 -4.183 -0.204 1.00 62.32 H new ATOM 0 HA ASP A 86 -6.692 -6.650 -0.972 1.00 34.40 H new ATOM 0 HB2 ASP A 86 -8.689 -6.690 0.869 1.00 70.02 H new ATOM 0 HB3 ASP A 86 -9.659 -6.734 -0.590 1.00 70.02 H new ATOM 1060 N ARG A 87 -7.261 -6.084 -3.303 1.00 42.55 N ATOM 1061 CA ARG A 87 -7.592 -5.828 -4.700 1.00 51.40 C ATOM 1062 C ARG A 87 -8.681 -6.781 -5.184 1.00 12.51 C ATOM 1063 O ARG A 87 -9.047 -6.776 -6.359 1.00 42.35 O ATOM 1064 CB ARG A 87 -6.347 -5.972 -5.576 1.00 64.45 C ATOM 1065 CG ARG A 87 -6.561 -5.534 -7.016 1.00 5.41 C ATOM 1066 CD ARG A 87 -6.238 -6.653 -7.993 1.00 43.13 C ATOM 1067 NE ARG A 87 -6.122 -6.165 -9.365 1.00 71.31 N ATOM 1068 CZ ARG A 87 -5.913 -6.957 -10.411 1.00 51.12 C ATOM 1069 NH1 ARG A 87 -5.798 -8.267 -10.243 1.00 2.11 N ATOM 1070 NH2 ARG A 87 -5.820 -6.438 -11.629 1.00 25.20 N ATOM 0 H ARG A 87 -6.346 -6.510 -3.158 1.00 42.55 H new ATOM 0 HA ARG A 87 -7.966 -4.807 -4.777 1.00 51.40 H new ATOM 0 HB2 ARG A 87 -5.538 -5.384 -5.143 1.00 64.45 H new ATOM 0 HB3 ARG A 87 -6.025 -7.013 -5.566 1.00 64.45 H new ATOM 0 HG2 ARG A 87 -7.596 -5.219 -7.151 1.00 5.41 H new ATOM 0 HG3 ARG A 87 -5.933 -4.669 -7.231 1.00 5.41 H new ATOM 0 HD2 ARG A 87 -5.305 -7.133 -7.699 1.00 43.13 H new ATOM 0 HD3 ARG A 87 -7.017 -7.414 -7.943 1.00 43.13 H new ATOM 0 HE ARG A 87 -6.206 -5.162 -9.529 1.00 71.31 H new ATOM 0 HH11 ARG A 87 -5.870 -8.670 -9.309 1.00 2.11 H new ATOM 0 HH12 ARG A 87 -5.638 -8.872 -11.048 1.00 2.11 H new ATOM 0 HH21 ARG A 87 -5.909 -5.431 -11.762 1.00 25.20 H new ATOM 0 HH22 ARG A 87 -5.660 -7.046 -12.432 1.00 25.20 H new ATOM 1084 N ASP A 88 -9.195 -7.596 -4.270 1.00 63.50 N ATOM 1085 CA ASP A 88 -10.242 -8.555 -4.603 1.00 14.21 C ATOM 1086 C ASP A 88 -11.574 -7.847 -4.831 1.00 12.44 C ATOM 1087 O ASP A 88 -12.517 -8.432 -5.363 1.00 35.11 O ATOM 1088 CB ASP A 88 -10.386 -9.593 -3.489 1.00 14.32 C ATOM 1089 CG ASP A 88 -11.322 -10.724 -3.869 1.00 3.22 C ATOM 1090 OD1 ASP A 88 -11.611 -10.875 -5.074 1.00 44.31 O ATOM 1091 OD2 ASP A 88 -11.765 -11.458 -2.961 1.00 15.34 O ATOM 0 H ASP A 88 -8.904 -7.612 -3.293 1.00 63.50 H new ATOM 0 HA ASP A 88 -9.957 -9.061 -5.525 1.00 14.21 H new ATOM 0 HB2 ASP A 88 -9.405 -10.002 -3.249 1.00 14.32 H new ATOM 0 HB3 ASP A 88 -10.757 -9.105 -2.588 1.00 14.32 H new ATOM 1096 N PHE A 89 -11.644 -6.584 -4.423 1.00 53.31 N ATOM 1097 CA PHE A 89 -12.861 -5.796 -4.581 1.00 13.13 C ATOM 1098 C PHE A 89 -12.575 -4.309 -4.392 1.00 60.01 C ATOM 1099 O PHE A 89 -12.164 -3.622 -5.327 1.00 41.31 O ATOM 1100 CB PHE A 89 -13.923 -6.253 -3.579 1.00 35.32 C ATOM 1101 CG PHE A 89 -13.404 -7.221 -2.554 1.00 70.25 C ATOM 1102 CD1 PHE A 89 -12.523 -6.802 -1.570 1.00 75.41 C ATOM 1103 CD2 PHE A 89 -13.796 -8.550 -2.576 1.00 60.13 C ATOM 1104 CE1 PHE A 89 -12.044 -7.690 -0.626 1.00 22.53 C ATOM 1105 CE2 PHE A 89 -13.320 -9.442 -1.634 1.00 71.43 C ATOM 1106 CZ PHE A 89 -12.442 -9.012 -0.659 1.00 20.53 C ATOM 0 H PHE A 89 -10.873 -6.084 -3.981 1.00 53.31 H new ATOM 0 HA PHE A 89 -13.235 -5.951 -5.593 1.00 13.13 H new ATOM 0 HB2 PHE A 89 -14.329 -5.380 -3.069 1.00 35.32 H new ATOM 0 HB3 PHE A 89 -14.747 -6.717 -4.121 1.00 35.32 H new ATOM 0 HD1 PHE A 89 -12.207 -5.770 -1.541 1.00 75.41 H new ATOM 0 HD2 PHE A 89 -14.481 -8.892 -3.338 1.00 60.13 H new ATOM 0 HE1 PHE A 89 -11.359 -7.351 0.137 1.00 22.53 H new ATOM 0 HE2 PHE A 89 -13.635 -10.475 -1.660 1.00 71.43 H new ATOM 0 HZ PHE A 89 -12.067 -9.708 0.077 1.00 20.53 H new ATOM 1116 N ARG A 90 -12.796 -3.820 -3.176 1.00 41.44 N ATOM 1117 CA ARG A 90 -12.564 -2.414 -2.865 1.00 23.42 C ATOM 1118 C ARG A 90 -12.148 -2.242 -1.407 1.00 31.43 C ATOM 1119 O ARG A 90 -12.412 -1.209 -0.793 1.00 15.35 O ATOM 1120 CB ARG A 90 -13.823 -1.593 -3.148 1.00 5.52 C ATOM 1121 CG ARG A 90 -14.860 -1.666 -2.039 1.00 70.34 C ATOM 1122 CD ARG A 90 -15.115 -3.103 -1.610 1.00 1.53 C ATOM 1123 NE ARG A 90 -16.375 -3.242 -0.885 1.00 11.52 N ATOM 1124 CZ ARG A 90 -17.568 -3.193 -1.468 1.00 64.51 C ATOM 1125 NH1 ARG A 90 -17.662 -3.011 -2.778 1.00 64.40 N ATOM 1126 NH2 ARG A 90 -18.669 -3.328 -0.741 1.00 32.32 N ATOM 0 H ARG A 90 -13.135 -4.376 -2.391 1.00 41.44 H new ATOM 0 HA ARG A 90 -11.754 -2.055 -3.501 1.00 23.42 H new ATOM 0 HB2 ARG A 90 -13.540 -0.552 -3.302 1.00 5.52 H new ATOM 0 HB3 ARG A 90 -14.273 -1.942 -4.078 1.00 5.52 H new ATOM 0 HG2 ARG A 90 -14.520 -1.084 -1.182 1.00 70.34 H new ATOM 0 HG3 ARG A 90 -15.792 -1.216 -2.380 1.00 70.34 H new ATOM 0 HD2 ARG A 90 -15.130 -3.747 -2.490 1.00 1.53 H new ATOM 0 HD3 ARG A 90 -14.294 -3.444 -0.979 1.00 1.53 H new ATOM 0 HE ARG A 90 -16.337 -3.385 0.124 1.00 11.52 H new ATOM 0 HH11 ARG A 90 -16.817 -2.908 -3.341 1.00 64.40 H new ATOM 0 HH12 ARG A 90 -18.579 -2.974 -3.223 1.00 64.40 H new ATOM 0 HH21 ARG A 90 -18.601 -3.470 0.267 1.00 32.32 H new ATOM 0 HH22 ARG A 90 -19.584 -3.290 -1.190 1.00 32.32 H new ATOM 1140 N VAL A 91 -11.496 -3.263 -0.858 1.00 53.11 N ATOM 1141 CA VAL A 91 -11.044 -3.225 0.527 1.00 4.23 C ATOM 1142 C VAL A 91 -9.837 -2.307 0.686 1.00 3.21 C ATOM 1143 O VAL A 91 -8.699 -2.710 0.440 1.00 73.24 O ATOM 1144 CB VAL A 91 -10.676 -4.631 1.036 1.00 25.14 C ATOM 1145 CG1 VAL A 91 -9.598 -4.547 2.106 1.00 5.22 C ATOM 1146 CG2 VAL A 91 -11.910 -5.345 1.567 1.00 63.24 C ATOM 0 H VAL A 91 -11.269 -4.126 -1.352 1.00 53.11 H new ATOM 0 HA VAL A 91 -11.872 -2.837 1.120 1.00 4.23 H new ATOM 0 HB VAL A 91 -10.281 -5.209 0.200 1.00 25.14 H new ATOM 0 HG11 VAL A 91 -9.351 -5.550 2.453 1.00 5.22 H new ATOM 0 HG12 VAL A 91 -8.707 -4.078 1.689 1.00 5.22 H new ATOM 0 HG13 VAL A 91 -9.962 -3.952 2.944 1.00 5.22 H new ATOM 0 HG21 VAL A 91 -11.632 -6.337 1.923 1.00 63.24 H new ATOM 0 HG22 VAL A 91 -12.337 -4.771 2.390 1.00 63.24 H new ATOM 0 HG23 VAL A 91 -12.647 -5.439 0.770 1.00 63.24 H new ATOM 1156 N LEU A 92 -10.091 -1.070 1.100 1.00 74.44 N ATOM 1157 CA LEU A 92 -9.025 -0.093 1.292 1.00 34.44 C ATOM 1158 C LEU A 92 -9.060 0.478 2.706 1.00 1.32 C ATOM 1159 O LEU A 92 -8.437 1.502 2.988 1.00 43.01 O ATOM 1160 CB LEU A 92 -9.152 1.037 0.270 1.00 43.13 C ATOM 1161 CG LEU A 92 -9.129 0.618 -1.201 1.00 30.34 C ATOM 1162 CD1 LEU A 92 -8.403 -0.708 -1.366 1.00 60.23 C ATOM 1163 CD2 LEU A 92 -10.545 0.525 -1.751 1.00 21.04 C ATOM 0 H LEU A 92 -11.026 -0.720 1.309 1.00 74.44 H new ATOM 0 HA LEU A 92 -8.071 -0.599 1.147 1.00 34.44 H new ATOM 0 HB2 LEU A 92 -10.084 1.569 0.461 1.00 43.13 H new ATOM 0 HB3 LEU A 92 -8.340 1.745 0.438 1.00 43.13 H new ATOM 0 HG LEU A 92 -8.590 1.377 -1.767 1.00 30.34 H new ATOM 0 HD11 LEU A 92 -8.396 -0.991 -2.419 1.00 60.23 H new ATOM 0 HD12 LEU A 92 -7.377 -0.608 -1.011 1.00 60.23 H new ATOM 0 HD13 LEU A 92 -8.914 -1.477 -0.787 1.00 60.23 H new ATOM 0 HD21 LEU A 92 -10.510 0.226 -2.799 1.00 21.04 H new ATOM 0 HD22 LEU A 92 -11.109 -0.214 -1.181 1.00 21.04 H new ATOM 0 HD23 LEU A 92 -11.032 1.496 -1.667 1.00 21.04 H new ATOM 1175 N ASP A 93 -9.790 -0.191 3.591 1.00 12.35 N ATOM 1176 CA ASP A 93 -9.903 0.249 4.977 1.00 33.44 C ATOM 1177 C ASP A 93 -10.227 -0.926 5.895 1.00 20.22 C ATOM 1178 O ASP A 93 -10.746 -1.951 5.451 1.00 22.01 O ATOM 1179 CB ASP A 93 -10.982 1.325 5.107 1.00 2.30 C ATOM 1180 CG ASP A 93 -10.427 2.725 4.931 1.00 4.03 C ATOM 1181 OD1 ASP A 93 -9.391 3.035 5.556 1.00 31.14 O ATOM 1182 OD2 ASP A 93 -11.028 3.511 4.169 1.00 11.04 O ATOM 0 H ASP A 93 -10.312 -1.040 3.374 1.00 12.35 H new ATOM 0 HA ASP A 93 -8.943 0.669 5.278 1.00 33.44 H new ATOM 0 HB2 ASP A 93 -11.758 1.149 4.363 1.00 2.30 H new ATOM 0 HB3 ASP A 93 -11.455 1.245 6.086 1.00 2.30 H new ATOM 1187 N THR A 94 -9.916 -0.771 7.179 1.00 72.35 N ATOM 1188 CA THR A 94 -10.172 -1.819 8.159 1.00 64.34 C ATOM 1189 C THR A 94 -10.898 -1.265 9.379 1.00 22.51 C ATOM 1190 O THR A 94 -12.113 -1.073 9.355 1.00 60.33 O ATOM 1191 CB THR A 94 -8.863 -2.492 8.615 1.00 34.13 C ATOM 1192 OG1 THR A 94 -8.167 -3.026 7.484 1.00 25.52 O ATOM 1193 CG2 THR A 94 -9.147 -3.604 9.614 1.00 2.23 C ATOM 0 H THR A 94 -9.487 0.070 7.564 1.00 72.35 H new ATOM 0 HA THR A 94 -10.803 -2.562 7.671 1.00 64.34 H new ATOM 0 HB THR A 94 -8.242 -1.739 9.100 1.00 34.13 H new ATOM 0 HG1 THR A 94 -7.318 -3.418 7.777 1.00 25.52 H new ATOM 0 HG21 THR A 94 -8.208 -4.065 9.922 1.00 2.23 H new ATOM 0 HG22 THR A 94 -9.651 -3.189 10.487 1.00 2.23 H new ATOM 0 HG23 THR A 94 -9.785 -4.356 9.150 1.00 2.23 H new ATOM 1201 N GLU A 95 -10.145 -1.010 10.445 1.00 71.52 N ATOM 1202 CA GLU A 95 -10.719 -0.478 11.675 1.00 33.41 C ATOM 1203 C GLU A 95 -9.647 0.190 12.531 1.00 33.22 C ATOM 1204 O GLU A 95 -8.449 -0.024 12.348 1.00 3.52 O ATOM 1205 CB GLU A 95 -11.401 -1.594 12.470 1.00 25.13 C ATOM 1206 CG GLU A 95 -12.912 -1.613 12.319 1.00 33.52 C ATOM 1207 CD GLU A 95 -13.628 -1.804 13.642 1.00 35.51 C ATOM 1208 OE1 GLU A 95 -13.102 -2.541 14.502 1.00 62.35 O ATOM 1209 OE2 GLU A 95 -14.716 -1.216 13.817 1.00 32.24 O ATOM 0 H GLU A 95 -9.137 -1.163 10.481 1.00 71.52 H new ATOM 0 HA GLU A 95 -11.462 0.272 11.405 1.00 33.41 H new ATOM 0 HB2 GLU A 95 -11.000 -2.555 12.148 1.00 25.13 H new ATOM 0 HB3 GLU A 95 -11.151 -1.482 13.525 1.00 25.13 H new ATOM 0 HG2 GLU A 95 -13.240 -0.678 11.864 1.00 33.52 H new ATOM 0 HG3 GLU A 95 -13.195 -2.415 11.638 1.00 33.52 H new ATOM 1216 N PRO A 96 -10.088 1.019 13.489 1.00 44.20 N ATOM 1217 CA PRO A 96 -9.183 1.736 14.393 1.00 50.03 C ATOM 1218 C PRO A 96 -8.492 0.803 15.381 1.00 12.15 C ATOM 1219 O PRO A 96 -9.102 0.346 16.347 1.00 31.45 O ATOM 1220 CB PRO A 96 -10.112 2.704 15.130 1.00 22.11 C ATOM 1221 CG PRO A 96 -11.454 2.059 15.073 1.00 44.02 C ATOM 1222 CD PRO A 96 -11.503 1.321 13.764 1.00 64.32 C ATOM 0 HA PRO A 96 -8.373 2.228 13.854 1.00 50.03 H new ATOM 0 HB2 PRO A 96 -9.789 2.856 16.160 1.00 22.11 H new ATOM 0 HB3 PRO A 96 -10.123 3.683 14.652 1.00 22.11 H new ATOM 0 HG2 PRO A 96 -11.595 1.377 15.911 1.00 44.02 H new ATOM 0 HG3 PRO A 96 -12.248 2.804 15.131 1.00 44.02 H new ATOM 0 HD2 PRO A 96 -12.101 0.413 13.837 1.00 64.32 H new ATOM 0 HD3 PRO A 96 -11.944 1.930 12.975 1.00 64.32 H new ATOM 1230 N ALA A 97 -7.216 0.525 15.134 1.00 54.53 N ATOM 1231 CA ALA A 97 -6.442 -0.351 16.004 1.00 53.11 C ATOM 1232 C ALA A 97 -6.236 0.281 17.376 1.00 32.14 C ATOM 1233 O ALA A 97 -5.473 1.236 17.522 1.00 14.22 O ATOM 1234 CB ALA A 97 -5.101 -0.679 15.365 1.00 51.32 C ATOM 0 H ALA A 97 -6.696 0.894 14.338 1.00 54.53 H new ATOM 0 HA ALA A 97 -7.003 -1.276 16.139 1.00 53.11 H new ATOM 0 HB1 ALA A 97 -4.534 -1.334 16.026 1.00 51.32 H new ATOM 0 HB2 ALA A 97 -5.265 -1.180 14.411 1.00 51.32 H new ATOM 0 HB3 ALA A 97 -4.542 0.242 15.199 1.00 51.32 H new ATOM 1240 N ASP A 98 -6.921 -0.258 18.379 1.00 1.32 N ATOM 1241 CA ASP A 98 -6.812 0.253 19.741 1.00 54.53 C ATOM 1242 C ASP A 98 -5.743 -0.504 20.522 1.00 53.00 C ATOM 1243 O ASP A 98 -5.699 -0.445 21.750 1.00 20.40 O ATOM 1244 CB ASP A 98 -8.159 0.145 20.458 1.00 61.21 C ATOM 1245 CG ASP A 98 -8.589 1.457 21.085 1.00 64.35 C ATOM 1246 OD1 ASP A 98 -7.704 2.265 21.435 1.00 45.42 O ATOM 1247 OD2 ASP A 98 -9.810 1.675 21.224 1.00 51.11 O ATOM 0 H ASP A 98 -7.557 -1.048 18.275 1.00 1.32 H new ATOM 0 HA ASP A 98 -6.521 1.302 19.687 1.00 54.53 H new ATOM 0 HB2 ASP A 98 -8.919 -0.182 19.749 1.00 61.21 H new ATOM 0 HB3 ASP A 98 -8.095 -0.620 21.232 1.00 61.21 H new ATOM 1252 N GLY A 99 -4.883 -1.216 19.800 1.00 32.44 N ATOM 1253 CA GLY A 99 -3.827 -1.976 20.443 1.00 61.42 C ATOM 1254 C GLY A 99 -4.286 -3.353 20.879 1.00 73.51 C ATOM 1255 O GLY A 99 -3.469 -4.247 21.100 1.00 43.02 O ATOM 0 H GLY A 99 -4.899 -1.280 18.782 1.00 32.44 H new ATOM 0 HA2 GLY A 99 -2.987 -2.077 19.756 1.00 61.42 H new ATOM 0 HA3 GLY A 99 -3.465 -1.426 21.311 1.00 61.42 H new ATOM 1259 N ASP A 100 -5.597 -3.525 21.005 1.00 75.40 N ATOM 1260 CA ASP A 100 -6.165 -4.804 21.418 1.00 3.35 C ATOM 1261 C ASP A 100 -6.600 -5.622 20.207 1.00 20.41 C ATOM 1262 O ASP A 100 -6.318 -6.817 20.119 1.00 54.34 O ATOM 1263 CB ASP A 100 -7.355 -4.579 22.352 1.00 30.44 C ATOM 1264 CG ASP A 100 -7.128 -3.430 23.314 1.00 3.22 C ATOM 1265 OD1 ASP A 100 -6.032 -3.362 23.909 1.00 31.53 O ATOM 1266 OD2 ASP A 100 -8.046 -2.598 23.472 1.00 2.34 O ATOM 0 H ASP A 100 -6.287 -2.795 20.827 1.00 75.40 H new ATOM 0 HA ASP A 100 -5.395 -5.361 21.951 1.00 3.35 H new ATOM 0 HB2 ASP A 100 -8.247 -4.380 21.758 1.00 30.44 H new ATOM 0 HB3 ASP A 100 -7.546 -5.491 22.918 1.00 30.44 H new ATOM 1271 N GLY A 101 -7.290 -4.971 19.276 1.00 42.15 N ATOM 1272 CA GLY A 101 -7.754 -5.654 18.082 1.00 30.45 C ATOM 1273 C GLY A 101 -9.042 -6.419 18.316 1.00 11.42 C ATOM 1274 O GLY A 101 -9.313 -7.413 17.644 1.00 10.31 O ATOM 0 H GLY A 101 -7.536 -3.982 19.327 1.00 42.15 H new ATOM 0 HA2 GLY A 101 -7.907 -4.925 17.286 1.00 30.45 H new ATOM 0 HA3 GLY A 101 -6.983 -6.343 17.738 1.00 30.45 H new ATOM 1278 N GLY A 102 -9.839 -5.954 19.274 1.00 24.23 N ATOM 1279 CA GLY A 102 -11.095 -6.614 19.579 1.00 3.13 C ATOM 1280 C GLY A 102 -11.056 -7.350 20.904 1.00 54.21 C ATOM 1281 O GLY A 102 -10.971 -8.577 20.937 1.00 32.32 O ATOM 0 H GLY A 102 -9.637 -5.132 19.844 1.00 24.23 H new ATOM 0 HA2 GLY A 102 -11.895 -5.874 19.601 1.00 3.13 H new ATOM 0 HA3 GLY A 102 -11.335 -7.318 18.782 1.00 3.13 H new TER 1285 GLY A 102