USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 840 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 99 HIS :FLIP no HD1:sc= 0.25 F(o=0,f=0.53) USER MOD Set 1.2: A 101 SER OG : rot -56:sc= 0.277 USER MOD Set 2.1: A 52 TYR OH : rot -150:sc= 0.633 USER MOD Set 2.2: A 72 ASN : amide:sc= 0.58 K(o=1.2,f=-0.54) USER MOD Set 3.1: A 62 THR OG1 : rot 61:sc= 1.23 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.0395 K(o=1.3,f=-2.2) USER MOD Set 4.1: A 33 LYS NZ :NH3+ -117:sc= 0.639 (180deg=-0.105) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0.217 K(o=0.86,f=-4.2) USER MOD Set 5.1: A 21 SER OG : rot 92:sc= 0.171 USER MOD Set 5.2: A 23 SER OG : rot 180:sc= 0.14 USER MOD Set 5.3: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 12 TYR OH : rot -63:sc= -2.01! USER MOD Set 6.2: A 25 LYS NZ :NH3+ -155:sc= -0.249 (180deg=-1.08) USER MOD Single : A 3 THR OG1 : rot 142:sc= 1.19 USER MOD Single : A 7 TYR OH : rot 167:sc= -0.227 USER MOD Single : A 9 TYR OH : rot -123:sc= 0.798 USER MOD Single : A 10 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.3!) USER MOD Single : A 15 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0431 (180deg=-0.223) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.369 F(o=-1.6,f=-0.37) USER MOD Single : A 27 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 28 TYR OH : rot 84:sc= 0.512 USER MOD Single : A 30 SER OG : rot 82:sc= 1.25 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0516) USER MOD Single : A 38 HIS : +bothHN:sc= 0.682 K(o=0.68,f=-6.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.1) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= 1.13 (180deg=0.912) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 53 GLN : amide:sc= 0.317 K(o=0.32,f=-6.5!) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.441) USER MOD Single : A 57 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.92) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00807) USER MOD Single : A 73 SER OG : rot 69:sc= 1.06 USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.047 F(o=-1.1,f=-0.047) USER MOD Single : A 84 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : A 87 TYR OH : rot -120:sc= -0.485 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.81! C(o=-1.8!,f=-4.1!) USER MOD Single : A 93 THR OG1 : rot -150:sc= -0.107 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 3.708 6.828 12.676 1.00 75.01 N ATOM 21 CA ILE A 2 4.218 5.528 12.284 1.00 32.34 C ATOM 22 C ILE A 2 4.685 5.526 10.827 1.00 21.03 C ATOM 23 O ILE A 2 4.208 6.312 10.000 1.00 54.24 O ATOM 24 CB ILE A 2 3.137 4.439 12.508 1.00 0.40 C ATOM 25 CG1 ILE A 2 3.709 3.036 12.278 1.00 72.21 C ATOM 26 CG2 ILE A 2 1.937 4.682 11.602 1.00 23.12 C ATOM 27 CD1 ILE A 2 2.727 1.925 12.583 1.00 54.11 C ATOM 0 HA ILE A 2 5.082 5.304 12.909 1.00 32.34 H new ATOM 0 HB ILE A 2 2.808 4.502 13.545 1.00 0.40 H new ATOM 0 HG12 ILE A 2 4.032 2.950 11.241 1.00 72.21 H new ATOM 0 HG13 ILE A 2 4.595 2.907 12.899 1.00 72.21 H new ATOM 0 HG21 ILE A 2 1.189 3.908 11.773 1.00 23.12 H new ATOM 0 HG22 ILE A 2 1.506 5.658 11.823 1.00 23.12 H new ATOM 0 HG23 ILE A 2 2.256 4.654 10.560 1.00 23.12 H new ATOM 0 HD11 ILE A 2 3.200 0.960 12.398 1.00 54.11 H new ATOM 0 HD12 ILE A 2 2.422 1.985 13.628 1.00 54.11 H new ATOM 0 HD13 ILE A 2 1.851 2.028 11.943 1.00 54.11 H new ATOM 39 N THR A 3 5.651 4.668 10.537 1.00 25.52 N ATOM 40 CA THR A 3 6.148 4.479 9.188 1.00 33.42 C ATOM 41 C THR A 3 5.083 3.841 8.293 1.00 2.33 C ATOM 42 O THR A 3 4.248 3.067 8.762 1.00 1.51 O ATOM 43 CB THR A 3 7.417 3.611 9.212 1.00 55.02 C ATOM 44 OG1 THR A 3 7.296 2.615 10.236 1.00 3.04 O ATOM 45 CG2 THR A 3 8.651 4.460 9.471 1.00 0.15 C ATOM 0 H THR A 3 6.112 4.083 11.234 1.00 25.52 H new ATOM 0 HA THR A 3 6.393 5.457 8.773 1.00 33.42 H new ATOM 0 HB THR A 3 7.527 3.132 8.239 1.00 55.02 H new ATOM 0 HG1 THR A 3 7.691 1.774 9.923 1.00 3.04 H new ATOM 0 HG21 THR A 3 9.535 3.823 9.483 1.00 0.15 H new ATOM 0 HG22 THR A 3 8.752 5.205 8.682 1.00 0.15 H new ATOM 0 HG23 THR A 3 8.552 4.962 10.434 1.00 0.15 H new ATOM 53 N PHE A 4 5.123 4.173 7.006 1.00 74.35 N ATOM 54 CA PHE A 4 4.106 3.734 6.052 1.00 13.43 C ATOM 55 C PHE A 4 4.026 2.210 5.969 1.00 12.22 C ATOM 56 O PHE A 4 2.933 1.642 5.966 1.00 23.12 O ATOM 57 CB PHE A 4 4.395 4.332 4.668 1.00 61.31 C ATOM 58 CG PHE A 4 3.435 3.897 3.594 1.00 12.54 C ATOM 59 CD1 PHE A 4 2.065 3.975 3.788 1.00 42.23 C ATOM 60 CD2 PHE A 4 3.908 3.404 2.389 1.00 1.14 C ATOM 61 CE1 PHE A 4 1.187 3.572 2.801 1.00 2.30 C ATOM 62 CE2 PHE A 4 3.035 2.999 1.399 1.00 73.24 C ATOM 63 CZ PHE A 4 1.672 3.083 1.605 1.00 51.34 C ATOM 0 H PHE A 4 5.856 4.751 6.595 1.00 74.35 H new ATOM 0 HA PHE A 4 3.139 4.091 6.405 1.00 13.43 H new ATOM 0 HB2 PHE A 4 4.371 5.419 4.742 1.00 61.31 H new ATOM 0 HB3 PHE A 4 5.406 4.055 4.369 1.00 61.31 H new ATOM 0 HD1 PHE A 4 1.679 4.356 4.722 1.00 42.23 H new ATOM 0 HD2 PHE A 4 4.973 3.336 2.222 1.00 1.14 H new ATOM 0 HE1 PHE A 4 0.122 3.639 2.965 1.00 2.30 H new ATOM 0 HE2 PHE A 4 3.418 2.617 0.464 1.00 73.24 H new ATOM 0 HZ PHE A 4 0.987 2.767 0.832 1.00 51.34 H new ATOM 73 N ALA A 5 5.179 1.556 5.918 1.00 22.43 N ATOM 74 CA ALA A 5 5.228 0.101 5.816 1.00 35.44 C ATOM 75 C ALA A 5 4.525 -0.545 7.006 1.00 62.11 C ATOM 76 O ALA A 5 3.600 -1.344 6.840 1.00 10.32 O ATOM 77 CB ALA A 5 6.672 -0.372 5.724 1.00 14.55 C ATOM 0 H ALA A 5 6.093 2.008 5.945 1.00 22.43 H new ATOM 0 HA ALA A 5 4.706 -0.201 4.908 1.00 35.44 H new ATOM 0 HB1 ALA A 5 6.695 -1.459 5.648 1.00 14.55 H new ATOM 0 HB2 ALA A 5 7.142 0.063 4.842 1.00 14.55 H new ATOM 0 HB3 ALA A 5 7.215 -0.059 6.616 1.00 14.55 H new ATOM 83 N ASP A 6 4.963 -0.173 8.200 1.00 23.12 N ATOM 84 CA ASP A 6 4.389 -0.685 9.439 1.00 13.04 C ATOM 85 C ASP A 6 2.903 -0.362 9.512 1.00 14.21 C ATOM 86 O ASP A 6 2.092 -1.206 9.897 1.00 3.44 O ATOM 87 CB ASP A 6 5.105 -0.074 10.649 1.00 45.12 C ATOM 88 CG ASP A 6 6.601 -0.324 10.650 1.00 23.12 C ATOM 89 OD1 ASP A 6 7.275 0.053 9.664 1.00 73.32 O ATOM 90 OD2 ASP A 6 7.118 -0.873 11.646 1.00 22.31 O ATOM 0 H ASP A 6 5.725 0.491 8.339 1.00 23.12 H new ATOM 0 HA ASP A 6 4.519 -1.767 9.453 1.00 13.04 H new ATOM 0 HB2 ASP A 6 4.923 1.001 10.666 1.00 45.12 H new ATOM 0 HB3 ASP A 6 4.674 -0.484 11.562 1.00 45.12 H new ATOM 95 N TYR A 7 2.552 0.866 9.132 1.00 25.12 N ATOM 96 CA TYR A 7 1.162 1.309 9.149 1.00 0.32 C ATOM 97 C TYR A 7 0.301 0.434 8.252 1.00 1.31 C ATOM 98 O TYR A 7 -0.771 -0.002 8.659 1.00 65.12 O ATOM 99 CB TYR A 7 1.043 2.771 8.703 1.00 50.22 C ATOM 100 CG TYR A 7 -0.389 3.258 8.619 1.00 53.12 C ATOM 101 CD1 TYR A 7 -1.068 3.674 9.756 1.00 73.21 C ATOM 102 CD2 TYR A 7 -1.063 3.286 7.404 1.00 62.45 C ATOM 103 CE1 TYR A 7 -2.379 4.108 9.686 1.00 73.04 C ATOM 104 CE2 TYR A 7 -2.372 3.716 7.326 1.00 75.11 C ATOM 105 CZ TYR A 7 -3.025 4.127 8.467 1.00 43.44 C ATOM 106 OH TYR A 7 -4.332 4.548 8.391 1.00 74.04 O ATOM 0 H TYR A 7 3.214 1.572 8.808 1.00 25.12 H new ATOM 0 HA TYR A 7 0.807 1.223 10.176 1.00 0.32 H new ATOM 0 HB2 TYR A 7 1.594 3.402 9.401 1.00 50.22 H new ATOM 0 HB3 TYR A 7 1.516 2.886 7.728 1.00 50.22 H new ATOM 0 HD1 TYR A 7 -0.564 3.658 10.711 1.00 73.21 H new ATOM 0 HD2 TYR A 7 -0.554 2.966 6.507 1.00 62.45 H new ATOM 0 HE1 TYR A 7 -2.894 4.430 10.579 1.00 73.04 H new ATOM 0 HE2 TYR A 7 -2.882 3.730 6.374 1.00 75.11 H new ATOM 0 HH TYR A 7 -4.574 4.697 7.453 1.00 74.04 H new ATOM 116 N PHE A 8 0.781 0.182 7.039 1.00 53.14 N ATOM 117 CA PHE A 8 0.035 -0.603 6.062 1.00 72.25 C ATOM 118 C PHE A 8 -0.315 -1.976 6.624 1.00 51.42 C ATOM 119 O PHE A 8 -1.455 -2.432 6.516 1.00 34.05 O ATOM 120 CB PHE A 8 0.847 -0.753 4.773 1.00 70.35 C ATOM 121 CG PHE A 8 0.136 -1.520 3.691 1.00 54.21 C ATOM 122 CD1 PHE A 8 -0.808 -0.897 2.887 1.00 1.23 C ATOM 123 CD2 PHE A 8 0.415 -2.862 3.474 1.00 62.44 C ATOM 124 CE1 PHE A 8 -1.459 -1.598 1.891 1.00 30.23 C ATOM 125 CE2 PHE A 8 -0.236 -3.567 2.478 1.00 31.21 C ATOM 126 CZ PHE A 8 -1.172 -2.933 1.684 1.00 64.43 C ATOM 0 H PHE A 8 1.688 0.512 6.708 1.00 53.14 H new ATOM 0 HA PHE A 8 -0.893 -0.077 5.838 1.00 72.25 H new ATOM 0 HB2 PHE A 8 1.099 0.238 4.396 1.00 70.35 H new ATOM 0 HB3 PHE A 8 1.787 -1.255 5.003 1.00 70.35 H new ATOM 0 HD1 PHE A 8 -1.036 0.147 3.042 1.00 1.23 H new ATOM 0 HD2 PHE A 8 1.149 -3.361 4.090 1.00 62.44 H new ATOM 0 HE1 PHE A 8 -2.193 -1.102 1.273 1.00 30.23 H new ATOM 0 HE2 PHE A 8 -0.013 -4.612 2.321 1.00 31.21 H new ATOM 0 HZ PHE A 8 -1.678 -3.480 0.903 1.00 64.43 H new ATOM 136 N TYR A 9 0.667 -2.621 7.238 1.00 10.13 N ATOM 137 CA TYR A 9 0.462 -3.943 7.802 1.00 24.30 C ATOM 138 C TYR A 9 -0.526 -3.888 8.964 1.00 72.32 C ATOM 139 O TYR A 9 -1.461 -4.688 9.032 1.00 63.13 O ATOM 140 CB TYR A 9 1.789 -4.542 8.269 1.00 11.13 C ATOM 141 CG TYR A 9 1.658 -5.969 8.740 1.00 4.41 C ATOM 142 CD1 TYR A 9 1.686 -7.019 7.834 1.00 53.41 C ATOM 143 CD2 TYR A 9 1.489 -6.268 10.087 1.00 51.43 C ATOM 144 CE1 TYR A 9 1.546 -8.326 8.252 1.00 43.31 C ATOM 145 CE2 TYR A 9 1.353 -7.574 10.515 1.00 73.32 C ATOM 146 CZ TYR A 9 1.380 -8.599 9.594 1.00 5.44 C ATOM 147 OH TYR A 9 1.232 -9.900 10.016 1.00 20.21 O ATOM 0 H TYR A 9 1.610 -2.250 7.357 1.00 10.13 H new ATOM 0 HA TYR A 9 0.046 -4.581 7.022 1.00 24.30 H new ATOM 0 HB2 TYR A 9 2.508 -4.500 7.451 1.00 11.13 H new ATOM 0 HB3 TYR A 9 2.191 -3.933 9.079 1.00 11.13 H new ATOM 0 HD1 TYR A 9 1.820 -6.810 6.783 1.00 53.41 H new ATOM 0 HD2 TYR A 9 1.464 -5.466 10.810 1.00 51.43 H new ATOM 0 HE1 TYR A 9 1.566 -9.131 7.533 1.00 43.31 H new ATOM 0 HE2 TYR A 9 1.226 -7.791 11.565 1.00 73.32 H new ATOM 0 HH TYR A 9 0.388 -9.991 10.505 1.00 20.21 H new ATOM 157 N GLN A 10 -0.314 -2.938 9.868 1.00 51.43 N ATOM 158 CA GLN A 10 -1.178 -2.771 11.031 1.00 41.30 C ATOM 159 C GLN A 10 -2.606 -2.457 10.590 1.00 23.44 C ATOM 160 O GLN A 10 -3.564 -3.061 11.071 1.00 33.33 O ATOM 161 CB GLN A 10 -0.616 -1.665 11.937 1.00 23.21 C ATOM 162 CG GLN A 10 -1.356 -1.486 13.258 1.00 24.21 C ATOM 163 CD GLN A 10 -2.518 -0.510 13.174 1.00 52.13 C ATOM 164 OE1 GLN A 10 -3.508 -0.639 13.893 1.00 54.33 O ATOM 165 NE2 GLN A 10 -2.403 0.480 12.302 1.00 12.23 N ATOM 0 H GLN A 10 0.453 -2.268 9.817 1.00 51.43 H new ATOM 0 HA GLN A 10 -1.205 -3.700 11.600 1.00 41.30 H new ATOM 0 HB2 GLN A 10 0.430 -1.885 12.149 1.00 23.21 H new ATOM 0 HB3 GLN A 10 -0.639 -0.721 11.392 1.00 23.21 H new ATOM 0 HG2 GLN A 10 -1.729 -2.455 13.591 1.00 24.21 H new ATOM 0 HG3 GLN A 10 -0.653 -1.138 14.015 1.00 24.21 H new ATOM 0 HE21 GLN A 10 -1.567 0.555 11.723 1.00 12.23 H new ATOM 0 HE22 GLN A 10 -3.150 1.168 12.210 1.00 12.23 H new ATOM 174 N TRP A 11 -2.733 -1.523 9.652 1.00 32.33 N ATOM 175 CA TRP A 11 -4.029 -1.139 9.105 1.00 45.24 C ATOM 176 C TRP A 11 -4.762 -2.354 8.547 1.00 35.22 C ATOM 177 O TRP A 11 -5.934 -2.575 8.855 1.00 34.12 O ATOM 178 CB TRP A 11 -3.843 -0.076 8.015 1.00 31.25 C ATOM 179 CG TRP A 11 -5.061 0.145 7.165 1.00 33.34 C ATOM 180 CD1 TRP A 11 -6.174 0.864 7.488 1.00 33.23 C ATOM 181 CD2 TRP A 11 -5.276 -0.357 5.842 1.00 11.44 C ATOM 182 NE1 TRP A 11 -7.073 0.829 6.448 1.00 74.21 N ATOM 183 CE2 TRP A 11 -6.543 0.091 5.426 1.00 4.03 C ATOM 184 CE3 TRP A 11 -4.517 -1.143 4.968 1.00 34.33 C ATOM 185 CZ2 TRP A 11 -7.070 -0.225 4.179 1.00 53.34 C ATOM 186 CZ3 TRP A 11 -5.041 -1.454 3.729 1.00 4.14 C ATOM 187 CH2 TRP A 11 -6.305 -0.994 3.343 1.00 13.13 C ATOM 0 H TRP A 11 -1.945 -1.014 9.252 1.00 32.33 H new ATOM 0 HA TRP A 11 -4.635 -0.719 9.908 1.00 45.24 H new ATOM 0 HB2 TRP A 11 -3.564 0.867 8.485 1.00 31.25 H new ATOM 0 HB3 TRP A 11 -3.013 -0.370 7.373 1.00 31.25 H new ATOM 0 HD1 TRP A 11 -6.327 1.384 8.422 1.00 33.23 H new ATOM 0 HE1 TRP A 11 -7.988 1.281 6.440 1.00 74.21 H new ATOM 0 HE3 TRP A 11 -3.539 -1.500 5.257 1.00 34.33 H new ATOM 0 HZ2 TRP A 11 -8.048 0.123 3.880 1.00 53.34 H new ATOM 0 HZ3 TRP A 11 -4.466 -2.062 3.047 1.00 4.14 H new ATOM 0 HH2 TRP A 11 -6.685 -1.251 2.365 1.00 13.13 H new ATOM 198 N TYR A 12 -4.067 -3.147 7.745 1.00 22.41 N ATOM 199 CA TYR A 12 -4.658 -4.342 7.168 1.00 51.50 C ATOM 200 C TYR A 12 -5.078 -5.330 8.250 1.00 23.32 C ATOM 201 O TYR A 12 -6.239 -5.738 8.310 1.00 34.33 O ATOM 202 CB TYR A 12 -3.687 -5.019 6.196 1.00 50.34 C ATOM 203 CG TYR A 12 -4.073 -6.444 5.868 1.00 73.15 C ATOM 204 CD1 TYR A 12 -5.286 -6.730 5.256 1.00 71.52 C ATOM 205 CD2 TYR A 12 -3.239 -7.506 6.199 1.00 45.54 C ATOM 206 CE1 TYR A 12 -5.657 -8.028 4.978 1.00 10.51 C ATOM 207 CE2 TYR A 12 -3.605 -8.809 5.926 1.00 2.54 C ATOM 208 CZ TYR A 12 -4.814 -9.065 5.316 1.00 1.11 C ATOM 209 OH TYR A 12 -5.183 -10.362 5.051 1.00 65.12 O ATOM 0 H TYR A 12 -3.096 -2.984 7.480 1.00 22.41 H new ATOM 0 HA TYR A 12 -5.547 -4.031 6.619 1.00 51.50 H new ATOM 0 HB2 TYR A 12 -3.642 -4.440 5.274 1.00 50.34 H new ATOM 0 HB3 TYR A 12 -2.686 -5.010 6.627 1.00 50.34 H new ATOM 0 HD1 TYR A 12 -5.951 -5.921 4.993 1.00 71.52 H new ATOM 0 HD2 TYR A 12 -2.291 -7.309 6.677 1.00 45.54 H new ATOM 0 HE1 TYR A 12 -6.603 -8.231 4.498 1.00 10.51 H new ATOM 0 HE2 TYR A 12 -2.947 -9.624 6.189 1.00 2.54 H new ATOM 0 HH TYR A 12 -5.988 -10.584 5.563 1.00 65.12 H new ATOM 219 N GLU A 13 -4.140 -5.694 9.112 1.00 60.22 N ATOM 220 CA GLU A 13 -4.361 -6.759 10.079 1.00 71.34 C ATOM 221 C GLU A 13 -5.469 -6.402 11.073 1.00 43.25 C ATOM 222 O GLU A 13 -6.170 -7.277 11.575 1.00 14.51 O ATOM 223 CB GLU A 13 -3.055 -7.087 10.804 1.00 63.14 C ATOM 224 CG GLU A 13 -3.143 -8.319 11.685 1.00 33.24 C ATOM 225 CD GLU A 13 -1.785 -8.864 12.067 1.00 22.34 C ATOM 226 OE1 GLU A 13 -1.210 -8.391 13.068 1.00 31.14 O ATOM 227 OE2 GLU A 13 -1.296 -9.784 11.376 1.00 23.00 O ATOM 0 H GLU A 13 -3.216 -5.266 9.161 1.00 60.22 H new ATOM 0 HA GLU A 13 -4.694 -7.645 9.537 1.00 71.34 H new ATOM 0 HB2 GLU A 13 -2.266 -7.234 10.066 1.00 63.14 H new ATOM 0 HB3 GLU A 13 -2.764 -6.233 11.416 1.00 63.14 H new ATOM 0 HG2 GLU A 13 -3.699 -8.074 12.590 1.00 33.24 H new ATOM 0 HG3 GLU A 13 -3.707 -9.093 11.164 1.00 33.24 H new ATOM 234 N VAL A 14 -5.648 -5.121 11.336 1.00 3.41 N ATOM 235 CA VAL A 14 -6.679 -4.686 12.266 1.00 43.24 C ATOM 236 C VAL A 14 -8.035 -4.508 11.568 1.00 2.30 C ATOM 237 O VAL A 14 -9.088 -4.701 12.180 1.00 62.32 O ATOM 238 CB VAL A 14 -6.269 -3.372 12.977 1.00 71.41 C ATOM 239 CG1 VAL A 14 -7.387 -2.846 13.866 1.00 31.45 C ATOM 240 CG2 VAL A 14 -5.004 -3.584 13.797 1.00 11.14 C ATOM 0 H VAL A 14 -5.099 -4.367 10.924 1.00 3.41 H new ATOM 0 HA VAL A 14 -6.785 -5.471 13.015 1.00 43.24 H new ATOM 0 HB VAL A 14 -6.074 -2.627 12.206 1.00 71.41 H new ATOM 0 HG11 VAL A 14 -7.064 -1.924 14.349 1.00 31.45 H new ATOM 0 HG12 VAL A 14 -8.271 -2.648 13.260 1.00 31.45 H new ATOM 0 HG13 VAL A 14 -7.627 -3.589 14.627 1.00 31.45 H new ATOM 0 HG21 VAL A 14 -4.729 -2.651 14.290 1.00 11.14 H new ATOM 0 HG22 VAL A 14 -5.182 -4.353 14.549 1.00 11.14 H new ATOM 0 HG23 VAL A 14 -4.193 -3.900 13.140 1.00 11.14 H new ATOM 250 N ASN A 15 -8.022 -4.189 10.277 1.00 41.10 N ATOM 251 CA ASN A 15 -9.259 -3.796 9.602 1.00 1.21 C ATOM 252 C ASN A 15 -9.741 -4.816 8.571 1.00 64.15 C ATOM 253 O ASN A 15 -10.930 -5.113 8.510 1.00 73.41 O ATOM 254 CB ASN A 15 -9.105 -2.424 8.933 1.00 64.40 C ATOM 255 CG ASN A 15 -8.968 -1.289 9.934 1.00 3.25 C ATOM 256 OD1 ASN A 15 -9.960 -0.726 10.397 1.00 14.33 O ATOM 257 ND2 ASN A 15 -7.734 -0.935 10.257 1.00 32.33 N ATOM 0 H ASN A 15 -7.190 -4.193 9.687 1.00 41.10 H new ATOM 0 HA ASN A 15 -10.018 -3.746 10.383 1.00 1.21 H new ATOM 0 HB2 ASN A 15 -8.229 -2.438 8.285 1.00 64.40 H new ATOM 0 HB3 ASN A 15 -9.969 -2.237 8.296 1.00 64.40 H new ATOM 0 HD21 ASN A 15 -7.578 -0.169 10.913 1.00 32.33 H new ATOM 0 HD22 ASN A 15 -6.939 -1.428 9.850 1.00 32.33 H new ATOM 264 N LYS A 16 -8.835 -5.348 7.757 1.00 1.22 N ATOM 265 CA LYS A 16 -9.236 -6.197 6.629 1.00 51.01 C ATOM 266 C LYS A 16 -8.891 -7.666 6.855 1.00 43.44 C ATOM 267 O LYS A 16 -9.395 -8.537 6.147 1.00 25.05 O ATOM 268 CB LYS A 16 -8.566 -5.725 5.331 1.00 31.43 C ATOM 269 CG LYS A 16 -9.267 -4.571 4.634 1.00 43.53 C ATOM 270 CD LYS A 16 -9.267 -3.302 5.476 1.00 35.33 C ATOM 271 CE LYS A 16 -10.004 -2.161 4.793 1.00 75.45 C ATOM 272 NZ LYS A 16 -11.431 -2.485 4.526 1.00 4.44 N ATOM 0 H LYS A 16 -7.829 -5.212 7.851 1.00 1.22 H new ATOM 0 HA LYS A 16 -10.319 -6.108 6.547 1.00 51.01 H new ATOM 0 HB2 LYS A 16 -7.542 -5.427 5.555 1.00 31.43 H new ATOM 0 HB3 LYS A 16 -8.509 -6.567 4.641 1.00 31.43 H new ATOM 0 HG2 LYS A 16 -8.776 -4.372 3.681 1.00 43.53 H new ATOM 0 HG3 LYS A 16 -10.295 -4.855 4.409 1.00 43.53 H new ATOM 0 HD2 LYS A 16 -9.732 -3.507 6.440 1.00 35.33 H new ATOM 0 HD3 LYS A 16 -8.239 -3.000 5.676 1.00 35.33 H new ATOM 0 HE2 LYS A 16 -9.948 -1.270 5.418 1.00 75.45 H new ATOM 0 HE3 LYS A 16 -9.507 -1.922 3.853 1.00 75.45 H new ATOM 0 HZ1 LYS A 16 -11.938 -1.620 4.251 1.00 4.44 H new ATOM 0 HZ2 LYS A 16 -11.491 -3.181 3.756 1.00 4.44 H new ATOM 0 HZ3 LYS A 16 -11.864 -2.881 5.385 1.00 4.44 H new ATOM 286 N LEU A 17 -8.041 -7.929 7.839 1.00 5.15 N ATOM 287 CA LEU A 17 -7.508 -9.274 8.079 1.00 14.13 C ATOM 288 C LEU A 17 -8.593 -10.362 8.095 1.00 55.12 C ATOM 289 O LEU A 17 -8.524 -11.306 7.310 1.00 3.42 O ATOM 290 CB LEU A 17 -6.729 -9.313 9.393 1.00 12.34 C ATOM 291 CG LEU A 17 -5.945 -10.599 9.639 1.00 71.20 C ATOM 292 CD1 LEU A 17 -4.629 -10.572 8.880 1.00 34.24 C ATOM 293 CD2 LEU A 17 -5.706 -10.803 11.124 1.00 44.55 C ATOM 0 H LEU A 17 -7.700 -7.224 8.493 1.00 5.15 H new ATOM 0 HA LEU A 17 -6.845 -9.491 7.242 1.00 14.13 H new ATOM 0 HB2 LEU A 17 -6.035 -8.473 9.412 1.00 12.34 H new ATOM 0 HB3 LEU A 17 -7.428 -9.168 10.217 1.00 12.34 H new ATOM 0 HG LEU A 17 -6.535 -11.439 9.272 1.00 71.20 H new ATOM 0 HD11 LEU A 17 -4.082 -11.496 9.066 1.00 34.24 H new ATOM 0 HD12 LEU A 17 -4.827 -10.476 7.812 1.00 34.24 H new ATOM 0 HD13 LEU A 17 -4.033 -9.724 9.216 1.00 34.24 H new ATOM 0 HD21 LEU A 17 -5.146 -11.725 11.279 1.00 44.55 H new ATOM 0 HD22 LEU A 17 -5.137 -9.962 11.520 1.00 44.55 H new ATOM 0 HD23 LEU A 17 -6.663 -10.869 11.641 1.00 44.55 H new ATOM 305 N PRO A 18 -9.614 -10.257 8.974 1.00 75.11 N ATOM 306 CA PRO A 18 -10.621 -11.301 9.135 1.00 3.42 C ATOM 307 C PRO A 18 -11.777 -11.170 8.148 1.00 1.14 C ATOM 308 O PRO A 18 -12.842 -11.754 8.344 1.00 11.41 O ATOM 309 CB PRO A 18 -11.129 -11.094 10.569 1.00 43.25 C ATOM 310 CG PRO A 18 -10.569 -9.784 11.045 1.00 32.22 C ATOM 311 CD PRO A 18 -9.886 -9.131 9.876 1.00 21.11 C ATOM 0 HA PRO A 18 -10.200 -12.289 8.948 1.00 3.42 H new ATOM 0 HB2 PRO A 18 -12.219 -11.080 10.595 1.00 43.25 H new ATOM 0 HB3 PRO A 18 -10.805 -11.910 11.215 1.00 43.25 H new ATOM 0 HG2 PRO A 18 -11.364 -9.145 11.430 1.00 32.22 H new ATOM 0 HG3 PRO A 18 -9.864 -9.943 11.861 1.00 32.22 H new ATOM 0 HD2 PRO A 18 -10.523 -8.382 9.405 1.00 21.11 H new ATOM 0 HD3 PRO A 18 -8.968 -8.625 10.177 1.00 21.11 H new ATOM 319 N HIS A 19 -11.567 -10.405 7.086 1.00 13.04 N ATOM 320 CA HIS A 19 -12.615 -10.179 6.098 1.00 22.33 C ATOM 321 C HIS A 19 -12.157 -10.619 4.719 1.00 54.10 C ATOM 322 O HIS A 19 -12.903 -10.523 3.744 1.00 73.14 O ATOM 323 CB HIS A 19 -13.014 -8.700 6.068 1.00 71.25 C ATOM 324 CG HIS A 19 -13.406 -8.160 7.407 1.00 5.15 C ATOM 325 ND1 HIS A 19 -12.640 -7.538 8.329 1.00 54.23 N flip ATOM 326 CD2 HIS A 19 -14.687 -8.272 7.886 1.00 3.22 C flip ATOM 327 CE1 HIS A 19 -13.448 -7.260 9.399 1.00 14.52 C flip ATOM 328 NE2 HIS A 19 -14.669 -7.719 9.088 1.00 63.21 N flip ATOM 0 H HIS A 19 -10.686 -9.932 6.886 1.00 13.04 H new ATOM 0 HA HIS A 19 -13.483 -10.773 6.384 1.00 22.33 H new ATOM 0 HB2 HIS A 19 -12.181 -8.115 5.679 1.00 71.25 H new ATOM 0 HB3 HIS A 19 -13.845 -8.570 5.375 1.00 71.25 H new ATOM 0 HD2 HIS A 19 -15.534 -8.719 7.386 1.00 3.22 H new ATOM 0 HE1 HIS A 19 -13.158 -6.767 10.315 1.00 14.52 H new ATOM 0 HE2 HIS A 19 -15.482 -7.650 9.701 1.00 63.21 H new ATOM 336 N VAL A 20 -10.927 -11.108 4.635 1.00 73.13 N ATOM 337 CA VAL A 20 -10.363 -11.518 3.360 1.00 43.15 C ATOM 338 C VAL A 20 -9.823 -12.940 3.433 1.00 21.22 C ATOM 339 O VAL A 20 -9.429 -13.414 4.500 1.00 45.13 O ATOM 340 CB VAL A 20 -9.239 -10.563 2.896 1.00 51.45 C ATOM 341 CG1 VAL A 20 -9.762 -9.143 2.753 1.00 51.32 C ATOM 342 CG2 VAL A 20 -8.063 -10.604 3.857 1.00 23.44 C ATOM 0 H VAL A 20 -10.304 -11.229 5.433 1.00 73.13 H new ATOM 0 HA VAL A 20 -11.172 -11.478 2.631 1.00 43.15 H new ATOM 0 HB VAL A 20 -8.893 -10.900 1.919 1.00 51.45 H new ATOM 0 HG11 VAL A 20 -8.954 -8.489 2.426 1.00 51.32 H new ATOM 0 HG12 VAL A 20 -10.565 -9.124 2.017 1.00 51.32 H new ATOM 0 HG13 VAL A 20 -10.142 -8.797 3.714 1.00 51.32 H new ATOM 0 HG21 VAL A 20 -7.285 -9.924 3.509 1.00 23.44 H new ATOM 0 HG22 VAL A 20 -8.394 -10.300 4.850 1.00 23.44 H new ATOM 0 HG23 VAL A 20 -7.665 -11.618 3.902 1.00 23.44 H new ATOM 352 N SER A 21 -9.818 -13.611 2.292 1.00 12.44 N ATOM 353 CA SER A 21 -9.324 -14.974 2.196 1.00 23.34 C ATOM 354 C SER A 21 -7.828 -14.995 1.931 1.00 65.12 C ATOM 355 O SER A 21 -7.199 -13.945 1.768 1.00 71.42 O ATOM 356 CB SER A 21 -10.083 -15.713 1.096 1.00 73.45 C ATOM 357 OG SER A 21 -10.244 -14.889 -0.047 1.00 13.33 O ATOM 0 H SER A 21 -10.155 -13.227 1.409 1.00 12.44 H new ATOM 0 HA SER A 21 -9.493 -15.479 3.147 1.00 23.34 H new ATOM 0 HB2 SER A 21 -9.544 -16.620 0.823 1.00 73.45 H new ATOM 0 HB3 SER A 21 -11.060 -16.022 1.467 1.00 73.45 H new ATOM 0 HG SER A 21 -9.501 -15.041 -0.667 1.00 13.33 H new ATOM 363 N GLU A 22 -7.270 -16.196 1.889 1.00 70.21 N ATOM 364 CA GLU A 22 -5.836 -16.388 1.757 1.00 53.21 C ATOM 365 C GLU A 22 -5.295 -15.752 0.478 1.00 35.32 C ATOM 366 O GLU A 22 -4.157 -15.280 0.445 1.00 11.04 O ATOM 367 CB GLU A 22 -5.522 -17.879 1.787 1.00 2.11 C ATOM 368 CG GLU A 22 -4.096 -18.182 2.182 1.00 23.22 C ATOM 369 CD GLU A 22 -3.846 -19.664 2.350 1.00 74.22 C ATOM 370 OE1 GLU A 22 -3.634 -20.356 1.334 1.00 61.20 O ATOM 371 OE2 GLU A 22 -3.871 -20.147 3.502 1.00 40.02 O ATOM 0 H GLU A 22 -7.801 -17.065 1.946 1.00 70.21 H new ATOM 0 HA GLU A 22 -5.344 -15.893 2.594 1.00 53.21 H new ATOM 0 HB2 GLU A 22 -6.198 -18.371 2.486 1.00 2.11 H new ATOM 0 HB3 GLU A 22 -5.717 -18.304 0.802 1.00 2.11 H new ATOM 0 HG2 GLU A 22 -3.420 -17.786 1.424 1.00 23.22 H new ATOM 0 HG3 GLU A 22 -3.864 -17.669 3.115 1.00 23.22 H new ATOM 378 N SER A 23 -6.117 -15.721 -0.562 1.00 11.33 N ATOM 379 CA SER A 23 -5.730 -15.098 -1.816 1.00 64.53 C ATOM 380 C SER A 23 -5.479 -13.606 -1.614 1.00 31.21 C ATOM 381 O SER A 23 -4.430 -13.081 -1.998 1.00 53.34 O ATOM 382 CB SER A 23 -6.814 -15.329 -2.871 1.00 22.21 C ATOM 383 OG SER A 23 -8.100 -15.013 -2.359 1.00 51.43 O ATOM 0 H SER A 23 -7.056 -16.120 -0.560 1.00 11.33 H new ATOM 0 HA SER A 23 -4.803 -15.553 -2.166 1.00 64.53 H new ATOM 0 HB2 SER A 23 -6.608 -14.717 -3.749 1.00 22.21 H new ATOM 0 HB3 SER A 23 -6.794 -16.369 -3.196 1.00 22.21 H new ATOM 0 HG SER A 23 -8.775 -15.167 -3.052 1.00 51.43 H new ATOM 389 N THR A 24 -6.433 -12.937 -0.978 1.00 73.21 N ATOM 390 CA THR A 24 -6.320 -11.515 -0.705 1.00 54.14 C ATOM 391 C THR A 24 -5.254 -11.252 0.358 1.00 13.15 C ATOM 392 O THR A 24 -4.589 -10.216 0.343 1.00 52.20 O ATOM 393 CB THR A 24 -7.670 -10.942 -0.242 1.00 34.52 C ATOM 394 OG1 THR A 24 -8.722 -11.457 -1.070 1.00 74.41 O ATOM 395 CG2 THR A 24 -7.666 -9.422 -0.304 1.00 2.51 C ATOM 0 H THR A 24 -7.297 -13.362 -0.641 1.00 73.21 H new ATOM 0 HA THR A 24 -6.025 -11.018 -1.629 1.00 54.14 H new ATOM 0 HB THR A 24 -7.835 -11.243 0.792 1.00 34.52 H new ATOM 0 HG1 THR A 24 -9.581 -11.092 -0.772 1.00 74.41 H new ATOM 0 HG21 THR A 24 -8.632 -9.042 0.028 1.00 2.51 H new ATOM 0 HG22 THR A 24 -6.880 -9.033 0.344 1.00 2.51 H new ATOM 0 HG23 THR A 24 -7.483 -9.100 -1.329 1.00 2.51 H new ATOM 403 N LYS A 25 -5.091 -12.201 1.277 1.00 23.52 N ATOM 404 CA LYS A 25 -4.047 -12.115 2.292 1.00 61.50 C ATOM 405 C LYS A 25 -2.680 -11.979 1.641 1.00 31.52 C ATOM 406 O LYS A 25 -1.919 -11.065 1.956 1.00 22.41 O ATOM 407 CB LYS A 25 -4.067 -13.346 3.203 1.00 62.02 C ATOM 408 CG LYS A 25 -5.205 -13.349 4.205 1.00 23.33 C ATOM 409 CD LYS A 25 -5.126 -14.547 5.135 1.00 65.24 C ATOM 410 CE LYS A 25 -5.955 -14.329 6.390 1.00 3.31 C ATOM 411 NZ LYS A 25 -5.507 -13.129 7.139 1.00 30.31 N ATOM 0 H LYS A 25 -5.670 -13.039 1.339 1.00 23.52 H new ATOM 0 HA LYS A 25 -4.242 -11.230 2.898 1.00 61.50 H new ATOM 0 HB2 LYS A 25 -4.137 -14.242 2.586 1.00 62.02 H new ATOM 0 HB3 LYS A 25 -3.121 -13.403 3.742 1.00 62.02 H new ATOM 0 HG2 LYS A 25 -5.178 -12.430 4.791 1.00 23.33 H new ATOM 0 HG3 LYS A 25 -6.157 -13.361 3.675 1.00 23.33 H new ATOM 0 HD2 LYS A 25 -5.478 -15.438 4.615 1.00 65.24 H new ATOM 0 HD3 LYS A 25 -4.087 -14.728 5.410 1.00 65.24 H new ATOM 0 HE2 LYS A 25 -7.005 -14.218 6.119 1.00 3.31 H new ATOM 0 HE3 LYS A 25 -5.883 -15.207 7.032 1.00 3.31 H new ATOM 0 HZ1 LYS A 25 -5.764 -13.230 8.142 1.00 30.31 H new ATOM 0 HZ2 LYS A 25 -4.475 -13.032 7.054 1.00 30.31 H new ATOM 0 HZ3 LYS A 25 -5.967 -12.283 6.747 1.00 30.31 H new ATOM 425 N ARG A 26 -2.385 -12.877 0.711 1.00 71.31 N ATOM 426 CA ARG A 26 -1.110 -12.855 0.014 1.00 43.52 C ATOM 427 C ARG A 26 -0.985 -11.621 -0.873 1.00 51.51 C ATOM 428 O ARG A 26 0.122 -11.152 -1.124 1.00 44.31 O ATOM 429 CB ARG A 26 -0.903 -14.135 -0.793 1.00 64.00 C ATOM 430 CG ARG A 26 -0.697 -15.360 0.085 1.00 22.44 C ATOM 431 CD ARG A 26 -0.328 -16.586 -0.732 1.00 31.20 C ATOM 432 NE ARG A 26 -1.409 -17.008 -1.622 1.00 32.23 N ATOM 433 CZ ARG A 26 -1.668 -18.279 -1.924 1.00 2.50 C ATOM 434 NH1 ARG A 26 -0.919 -19.250 -1.411 1.00 23.15 N ATOM 435 NH2 ARG A 26 -2.671 -18.579 -2.738 1.00 71.55 N ATOM 0 H ARG A 26 -3.012 -13.628 0.423 1.00 71.31 H new ATOM 0 HA ARG A 26 -0.323 -12.803 0.766 1.00 43.52 H new ATOM 0 HB2 ARG A 26 -1.768 -14.297 -1.437 1.00 64.00 H new ATOM 0 HB3 ARG A 26 -0.038 -14.012 -1.445 1.00 64.00 H new ATOM 0 HG2 ARG A 26 0.090 -15.158 0.812 1.00 22.44 H new ATOM 0 HG3 ARG A 26 -1.608 -15.560 0.649 1.00 22.44 H new ATOM 0 HD2 ARG A 26 0.563 -16.371 -1.323 1.00 31.20 H new ATOM 0 HD3 ARG A 26 -0.074 -17.405 -0.059 1.00 31.20 H new ATOM 0 HE ARG A 26 -1.999 -16.286 -2.036 1.00 32.23 H new ATOM 0 HH11 ARG A 26 -0.146 -19.022 -0.786 1.00 23.15 H new ATOM 0 HH12 ARG A 26 -1.117 -20.223 -1.642 1.00 23.15 H new ATOM 0 HH21 ARG A 26 -3.246 -17.836 -3.134 1.00 71.55 H new ATOM 0 HH22 ARG A 26 -2.867 -19.553 -2.968 1.00 71.55 H new ATOM 449 N HIS A 27 -2.112 -11.099 -1.358 1.00 45.42 N ATOM 450 CA HIS A 27 -2.107 -9.820 -2.067 1.00 33.51 C ATOM 451 C HIS A 27 -1.500 -8.736 -1.180 1.00 42.25 C ATOM 452 O HIS A 27 -0.582 -8.023 -1.586 1.00 45.10 O ATOM 453 CB HIS A 27 -3.522 -9.397 -2.476 1.00 0.40 C ATOM 454 CG HIS A 27 -3.961 -9.874 -3.829 1.00 71.03 C ATOM 455 ND1 HIS A 27 -3.552 -9.239 -4.974 1.00 22.53 N ATOM 456 CD2 HIS A 27 -4.803 -10.881 -4.162 1.00 34.21 C ATOM 457 CE1 HIS A 27 -4.151 -9.862 -5.970 1.00 12.02 C ATOM 458 NE2 HIS A 27 -4.924 -10.866 -5.530 1.00 21.34 N ATOM 0 H HIS A 27 -3.030 -11.536 -1.274 1.00 45.42 H new ATOM 0 HA HIS A 27 -1.509 -9.946 -2.970 1.00 33.51 H new ATOM 0 HB2 HIS A 27 -4.225 -9.768 -1.731 1.00 0.40 H new ATOM 0 HB3 HIS A 27 -3.580 -8.309 -2.455 1.00 0.40 H new ATOM 0 HD2 HIS A 27 -5.287 -11.566 -3.481 1.00 34.21 H new ATOM 0 HE1 HIS A 27 -4.034 -9.597 -7.010 1.00 12.02 H new ATOM 0 HE2 HIS A 27 -5.490 -11.495 -6.099 1.00 21.34 H new ATOM 466 N TYR A 28 -2.011 -8.636 0.043 1.00 11.23 N ATOM 467 CA TYR A 28 -1.520 -7.655 1.003 1.00 2.04 C ATOM 468 C TYR A 28 -0.077 -7.940 1.394 1.00 1.34 C ATOM 469 O TYR A 28 0.726 -7.020 1.514 1.00 15.33 O ATOM 470 CB TYR A 28 -2.399 -7.627 2.253 1.00 34.35 C ATOM 471 CG TYR A 28 -3.660 -6.805 2.103 1.00 11.12 C ATOM 472 CD1 TYR A 28 -3.662 -5.451 2.406 1.00 5.41 C ATOM 473 CD2 TYR A 28 -4.849 -7.383 1.674 1.00 24.13 C ATOM 474 CE1 TYR A 28 -4.810 -4.693 2.288 1.00 50.20 C ATOM 475 CE2 TYR A 28 -6.003 -6.632 1.556 1.00 52.23 C ATOM 476 CZ TYR A 28 -5.979 -5.288 1.864 1.00 11.34 C ATOM 477 OH TYR A 28 -7.128 -4.537 1.751 1.00 3.13 O ATOM 0 H TYR A 28 -2.767 -9.224 0.393 1.00 11.23 H new ATOM 0 HA TYR A 28 -1.562 -6.679 0.520 1.00 2.04 H new ATOM 0 HB2 TYR A 28 -2.673 -8.649 2.514 1.00 34.35 H new ATOM 0 HB3 TYR A 28 -1.817 -7.231 3.085 1.00 34.35 H new ATOM 0 HD1 TYR A 28 -2.749 -4.981 2.740 1.00 5.41 H new ATOM 0 HD2 TYR A 28 -4.871 -8.435 1.429 1.00 24.13 H new ATOM 0 HE1 TYR A 28 -4.792 -3.640 2.527 1.00 50.20 H new ATOM 0 HE2 TYR A 28 -6.920 -7.096 1.224 1.00 52.23 H new ATOM 0 HH TYR A 28 -7.139 -4.084 0.882 1.00 3.13 H new ATOM 487 N GLU A 29 0.255 -9.212 1.588 1.00 20.03 N ATOM 488 CA GLU A 29 1.617 -9.592 1.951 1.00 11.35 C ATOM 489 C GLU A 29 2.598 -9.261 0.828 1.00 61.20 C ATOM 490 O GLU A 29 3.730 -8.839 1.081 1.00 53.42 O ATOM 491 CB GLU A 29 1.694 -11.075 2.312 1.00 51.11 C ATOM 492 CG GLU A 29 0.955 -11.421 3.594 1.00 20.21 C ATOM 493 CD GLU A 29 1.228 -12.834 4.064 1.00 13.32 C ATOM 494 OE1 GLU A 29 2.218 -13.038 4.803 1.00 1.32 O ATOM 495 OE2 GLU A 29 0.457 -13.748 3.704 1.00 15.20 O ATOM 0 H GLU A 29 -0.395 -9.993 1.501 1.00 20.03 H new ATOM 0 HA GLU A 29 1.899 -9.012 2.830 1.00 11.35 H new ATOM 0 HB2 GLU A 29 1.281 -11.663 1.493 1.00 51.11 H new ATOM 0 HB3 GLU A 29 2.740 -11.363 2.415 1.00 51.11 H new ATOM 0 HG2 GLU A 29 1.246 -10.720 4.376 1.00 20.21 H new ATOM 0 HG3 GLU A 29 -0.116 -11.296 3.436 1.00 20.21 H new ATOM 502 N SER A 30 2.164 -9.448 -0.413 1.00 45.34 N ATOM 503 CA SER A 30 2.975 -9.082 -1.567 1.00 63.13 C ATOM 504 C SER A 30 3.128 -7.567 -1.643 1.00 54.02 C ATOM 505 O SER A 30 4.211 -7.052 -1.920 1.00 65.01 O ATOM 506 CB SER A 30 2.349 -9.617 -2.858 1.00 3.33 C ATOM 507 OG SER A 30 2.220 -11.026 -2.810 1.00 12.05 O ATOM 0 H SER A 30 1.256 -9.850 -0.645 1.00 45.34 H new ATOM 0 HA SER A 30 3.962 -9.530 -1.452 1.00 63.13 H new ATOM 0 HB2 SER A 30 1.369 -9.163 -3.007 1.00 3.33 H new ATOM 0 HB3 SER A 30 2.965 -9.333 -3.711 1.00 3.33 H new ATOM 0 HG SER A 30 1.411 -11.264 -2.310 1.00 12.05 H new ATOM 513 N ALA A 31 2.038 -6.860 -1.381 1.00 11.21 N ATOM 514 CA ALA A 31 2.055 -5.407 -1.356 1.00 50.00 C ATOM 515 C ALA A 31 2.989 -4.903 -0.263 1.00 22.44 C ATOM 516 O ALA A 31 3.854 -4.065 -0.511 1.00 61.34 O ATOM 517 CB ALA A 31 0.646 -4.872 -1.142 1.00 42.44 C ATOM 0 H ALA A 31 1.127 -7.273 -1.182 1.00 11.21 H new ATOM 0 HA ALA A 31 2.425 -5.045 -2.315 1.00 50.00 H new ATOM 0 HB1 ALA A 31 0.669 -3.782 -1.125 1.00 42.44 H new ATOM 0 HB2 ALA A 31 0.002 -5.208 -1.954 1.00 42.44 H new ATOM 0 HB3 ALA A 31 0.257 -5.242 -0.193 1.00 42.44 H new ATOM 523 N TYR A 32 2.829 -5.452 0.937 1.00 13.31 N ATOM 524 CA TYR A 32 3.622 -5.048 2.092 1.00 1.31 C ATOM 525 C TYR A 32 5.115 -5.234 1.843 1.00 73.00 C ATOM 526 O TYR A 32 5.912 -4.366 2.192 1.00 23.42 O ATOM 527 CB TYR A 32 3.189 -5.831 3.340 1.00 50.11 C ATOM 528 CG TYR A 32 4.037 -5.554 4.564 1.00 33.34 C ATOM 529 CD1 TYR A 32 4.193 -4.262 5.049 1.00 21.11 C ATOM 530 CD2 TYR A 32 4.696 -6.586 5.225 1.00 10.42 C ATOM 531 CE1 TYR A 32 4.976 -4.007 6.159 1.00 62.23 C ATOM 532 CE2 TYR A 32 5.482 -6.335 6.336 1.00 15.13 C ATOM 533 CZ TYR A 32 5.618 -5.044 6.797 1.00 12.55 C ATOM 534 OH TYR A 32 6.402 -4.790 7.901 1.00 33.30 O ATOM 0 H TYR A 32 2.149 -6.186 1.135 1.00 13.31 H new ATOM 0 HA TYR A 32 3.443 -3.986 2.259 1.00 1.31 H new ATOM 0 HB2 TYR A 32 2.151 -5.588 3.567 1.00 50.11 H new ATOM 0 HB3 TYR A 32 3.226 -6.898 3.118 1.00 50.11 H new ATOM 0 HD1 TYR A 32 3.695 -3.444 4.551 1.00 21.11 H new ATOM 0 HD2 TYR A 32 4.592 -7.599 4.865 1.00 10.42 H new ATOM 0 HE1 TYR A 32 5.084 -2.997 6.525 1.00 62.23 H new ATOM 0 HE2 TYR A 32 5.986 -7.147 6.839 1.00 15.13 H new ATOM 0 HH TYR A 32 6.782 -5.630 8.232 1.00 33.30 H new ATOM 544 N LYS A 33 5.499 -6.346 1.226 1.00 60.04 N ATOM 545 CA LYS A 33 6.912 -6.615 1.002 1.00 65.12 C ATOM 546 C LYS A 33 7.498 -5.660 -0.040 1.00 3.22 C ATOM 547 O LYS A 33 8.672 -5.303 0.036 1.00 33.44 O ATOM 548 CB LYS A 33 7.158 -8.077 0.604 1.00 65.40 C ATOM 549 CG LYS A 33 6.645 -8.462 -0.775 1.00 32.53 C ATOM 550 CD LYS A 33 7.019 -9.895 -1.118 1.00 14.12 C ATOM 551 CE LYS A 33 6.539 -10.293 -2.504 1.00 64.32 C ATOM 552 NZ LYS A 33 7.202 -9.510 -3.581 1.00 24.03 N ATOM 0 H LYS A 33 4.863 -7.064 0.878 1.00 60.04 H new ATOM 0 HA LYS A 33 7.426 -6.442 1.948 1.00 65.12 H new ATOM 0 HB2 LYS A 33 8.229 -8.274 0.645 1.00 65.40 H new ATOM 0 HB3 LYS A 33 6.687 -8.724 1.344 1.00 65.40 H new ATOM 0 HG2 LYS A 33 5.562 -8.348 -0.808 1.00 32.53 H new ATOM 0 HG3 LYS A 33 7.060 -7.786 -1.523 1.00 32.53 H new ATOM 0 HD2 LYS A 33 8.101 -10.010 -1.062 1.00 14.12 H new ATOM 0 HD3 LYS A 33 6.588 -10.569 -0.378 1.00 14.12 H new ATOM 0 HE2 LYS A 33 6.730 -11.355 -2.661 1.00 64.32 H new ATOM 0 HE3 LYS A 33 5.460 -10.150 -2.567 1.00 64.32 H new ATOM 0 HZ1 LYS A 33 6.490 -8.950 -4.092 1.00 24.03 H new ATOM 0 HZ2 LYS A 33 7.909 -8.872 -3.162 1.00 24.03 H new ATOM 0 HZ3 LYS A 33 7.672 -10.160 -4.244 1.00 24.03 H new ATOM 566 N HIS A 34 6.684 -5.239 -1.008 1.00 34.25 N ATOM 567 CA HIS A 34 7.134 -4.271 -2.008 1.00 54.14 C ATOM 568 C HIS A 34 7.147 -2.863 -1.426 1.00 53.04 C ATOM 569 O HIS A 34 7.995 -2.035 -1.779 1.00 54.23 O ATOM 570 CB HIS A 34 6.255 -4.309 -3.261 1.00 45.02 C ATOM 571 CG HIS A 34 6.543 -5.466 -4.172 1.00 65.21 C ATOM 572 ND1 HIS A 34 7.715 -5.611 -4.881 1.00 64.52 N ATOM 573 CD2 HIS A 34 5.781 -6.543 -4.487 1.00 53.10 C ATOM 574 CE1 HIS A 34 7.630 -6.741 -5.594 1.00 14.44 C ATOM 575 NE2 HIS A 34 6.475 -7.347 -5.388 1.00 11.12 N ATOM 0 H HIS A 34 5.719 -5.549 -1.121 1.00 34.25 H new ATOM 0 HA HIS A 34 8.149 -4.547 -2.295 1.00 54.14 H new ATOM 0 HB2 HIS A 34 5.209 -4.350 -2.958 1.00 45.02 H new ATOM 0 HB3 HIS A 34 6.390 -3.380 -3.816 1.00 45.02 H new ATOM 0 HD1 HIS A 34 8.508 -4.970 -4.866 1.00 64.52 H new ATOM 0 HD2 HIS A 34 4.793 -6.745 -4.101 1.00 53.10 H new ATOM 0 HE1 HIS A 34 8.404 -7.109 -6.251 1.00 14.44 H new ATOM 583 N ILE A 35 6.197 -2.588 -0.542 1.00 51.03 N ATOM 584 CA ILE A 35 6.162 -1.321 0.170 1.00 51.22 C ATOM 585 C ILE A 35 7.365 -1.208 1.098 1.00 30.50 C ATOM 586 O ILE A 35 8.094 -0.223 1.057 1.00 70.33 O ATOM 587 CB ILE A 35 4.855 -1.155 0.981 1.00 74.44 C ATOM 588 CG1 ILE A 35 3.660 -0.998 0.035 1.00 13.24 C ATOM 589 CG2 ILE A 35 4.953 0.039 1.923 1.00 41.45 C ATOM 590 CD1 ILE A 35 2.324 -0.890 0.741 1.00 14.31 C ATOM 0 H ILE A 35 5.440 -3.228 -0.302 1.00 51.03 H new ATOM 0 HA ILE A 35 6.198 -0.524 -0.573 1.00 51.22 H new ATOM 0 HB ILE A 35 4.706 -2.051 1.583 1.00 74.44 H new ATOM 0 HG12 ILE A 35 3.809 -0.108 -0.577 1.00 13.24 H new ATOM 0 HG13 ILE A 35 3.633 -1.851 -0.644 1.00 13.24 H new ATOM 0 HG21 ILE A 35 4.023 0.137 2.484 1.00 41.45 H new ATOM 0 HG22 ILE A 35 5.781 -0.111 2.616 1.00 41.45 H new ATOM 0 HG23 ILE A 35 5.125 0.946 1.344 1.00 41.45 H new ATOM 0 HD11 ILE A 35 1.530 -0.781 0.002 1.00 14.31 H new ATOM 0 HD12 ILE A 35 2.150 -1.790 1.331 1.00 14.31 H new ATOM 0 HD13 ILE A 35 2.329 -0.021 1.399 1.00 14.31 H new ATOM 602 N LYS A 36 7.580 -2.246 1.897 1.00 22.41 N ATOM 603 CA LYS A 36 8.696 -2.296 2.839 1.00 4.44 C ATOM 604 C LYS A 36 10.032 -2.245 2.101 1.00 11.44 C ATOM 605 O LYS A 36 11.038 -1.786 2.641 1.00 21.41 O ATOM 606 CB LYS A 36 8.599 -3.577 3.674 1.00 73.44 C ATOM 607 CG LYS A 36 9.665 -3.707 4.751 1.00 41.24 C ATOM 608 CD LYS A 36 9.513 -5.006 5.531 1.00 3.03 C ATOM 609 CE LYS A 36 9.715 -6.229 4.646 1.00 42.32 C ATOM 610 NZ LYS A 36 11.119 -6.354 4.179 1.00 33.42 N ATOM 0 H LYS A 36 6.988 -3.076 1.912 1.00 22.41 H new ATOM 0 HA LYS A 36 8.642 -1.429 3.497 1.00 4.44 H new ATOM 0 HB2 LYS A 36 7.617 -3.615 4.145 1.00 73.44 H new ATOM 0 HB3 LYS A 36 8.667 -4.437 3.007 1.00 73.44 H new ATOM 0 HG2 LYS A 36 10.653 -3.670 4.293 1.00 41.24 H new ATOM 0 HG3 LYS A 36 9.598 -2.861 5.435 1.00 41.24 H new ATOM 0 HD2 LYS A 36 10.235 -5.026 6.347 1.00 3.03 H new ATOM 0 HD3 LYS A 36 8.521 -5.044 5.982 1.00 3.03 H new ATOM 0 HE2 LYS A 36 9.436 -7.126 5.199 1.00 42.32 H new ATOM 0 HE3 LYS A 36 9.051 -6.166 3.784 1.00 42.32 H new ATOM 0 HZ1 LYS A 36 11.244 -7.266 3.695 1.00 33.42 H new ATOM 0 HZ2 LYS A 36 11.336 -5.580 3.520 1.00 33.42 H new ATOM 0 HZ3 LYS A 36 11.762 -6.304 4.995 1.00 33.42 H new ATOM 624 N ASP A 37 10.035 -2.733 0.870 1.00 3.13 N ATOM 625 CA ASP A 37 11.226 -2.710 0.030 1.00 63.52 C ATOM 626 C ASP A 37 11.607 -1.282 -0.359 1.00 34.43 C ATOM 627 O ASP A 37 12.774 -0.898 -0.283 1.00 3.21 O ATOM 628 CB ASP A 37 10.997 -3.554 -1.225 1.00 30.43 C ATOM 629 CG ASP A 37 12.034 -3.303 -2.299 1.00 71.41 C ATOM 630 OD1 ASP A 37 13.171 -3.806 -2.171 1.00 24.11 O ATOM 631 OD2 ASP A 37 11.707 -2.614 -3.286 1.00 4.52 O ATOM 0 H ASP A 37 9.219 -3.154 0.426 1.00 3.13 H new ATOM 0 HA ASP A 37 12.051 -3.132 0.604 1.00 63.52 H new ATOM 0 HB2 ASP A 37 11.009 -4.610 -0.954 1.00 30.43 H new ATOM 0 HB3 ASP A 37 10.006 -3.339 -1.626 1.00 30.43 H new ATOM 636 N HIS A 38 10.618 -0.497 -0.769 1.00 25.24 N ATOM 637 CA HIS A 38 10.867 0.872 -1.219 1.00 44.12 C ATOM 638 C HIS A 38 10.865 1.846 -0.044 1.00 42.00 C ATOM 639 O HIS A 38 11.730 2.716 0.059 1.00 3.41 O ATOM 640 CB HIS A 38 9.819 1.308 -2.246 1.00 11.32 C ATOM 641 CG HIS A 38 9.875 0.563 -3.547 1.00 24.22 C ATOM 642 ND1 HIS A 38 9.055 -0.505 -3.836 1.00 52.00 N ATOM 643 CD2 HIS A 38 10.625 0.767 -4.658 1.00 64.02 C ATOM 644 CE1 HIS A 38 9.290 -0.917 -5.067 1.00 1.12 C ATOM 645 NE2 HIS A 38 10.237 -0.167 -5.586 1.00 52.01 N ATOM 0 H HIS A 38 9.639 -0.781 -0.800 1.00 25.24 H new ATOM 0 HA HIS A 38 11.851 0.887 -1.687 1.00 44.12 H new ATOM 0 HB2 HIS A 38 8.828 1.180 -1.811 1.00 11.32 H new ATOM 0 HB3 HIS A 38 9.945 2.372 -2.446 1.00 11.32 H new ATOM 0 HD1 HIS A 38 8.372 -0.914 -3.198 1.00 52.00 H new ATOM 0 HD2 HIS A 38 11.385 1.523 -4.788 1.00 64.02 H new ATOM 0 HE1 HIS A 38 8.788 -1.734 -5.565 1.00 1.12 H new ATOM 0 HE2 HIS A 38 10.621 -0.264 -6.526 1.00 52.01 H new ATOM 654 N PHE A 39 9.887 1.697 0.836 1.00 31.43 N ATOM 655 CA PHE A 39 9.742 2.577 1.983 1.00 54.04 C ATOM 656 C PHE A 39 9.999 1.797 3.265 1.00 33.33 C ATOM 657 O PHE A 39 9.116 1.105 3.772 1.00 23.40 O ATOM 658 CB PHE A 39 8.338 3.192 2.016 1.00 32.31 C ATOM 659 CG PHE A 39 7.918 3.818 0.715 1.00 25.41 C ATOM 660 CD1 PHE A 39 8.446 5.034 0.311 1.00 54.14 C ATOM 661 CD2 PHE A 39 6.999 3.185 -0.105 1.00 33.22 C ATOM 662 CE1 PHE A 39 8.061 5.607 -0.886 1.00 3.21 C ATOM 663 CE2 PHE A 39 6.612 3.752 -1.304 1.00 44.20 C ATOM 664 CZ PHE A 39 7.143 4.966 -1.695 1.00 53.40 C ATOM 0 H PHE A 39 9.176 0.968 0.775 1.00 31.43 H new ATOM 0 HA PHE A 39 10.470 3.384 1.900 1.00 54.04 H new ATOM 0 HB2 PHE A 39 7.619 2.418 2.285 1.00 32.31 H new ATOM 0 HB3 PHE A 39 8.301 3.948 2.801 1.00 32.31 H new ATOM 0 HD1 PHE A 39 9.166 5.539 0.938 1.00 54.14 H new ATOM 0 HD2 PHE A 39 6.580 2.236 0.196 1.00 33.22 H new ATOM 0 HE1 PHE A 39 8.478 6.556 -1.189 1.00 3.21 H new ATOM 0 HE2 PHE A 39 5.895 3.247 -1.935 1.00 44.20 H new ATOM 0 HZ PHE A 39 6.841 5.413 -2.631 1.00 53.40 H new ATOM 674 N ARG A 40 11.213 1.901 3.775 1.00 5.02 N ATOM 675 CA ARG A 40 11.616 1.134 4.943 1.00 51.31 C ATOM 676 C ARG A 40 11.349 1.917 6.219 1.00 23.22 C ATOM 677 O ARG A 40 10.758 1.401 7.167 1.00 64.41 O ATOM 678 CB ARG A 40 13.097 0.773 4.851 1.00 62.44 C ATOM 679 CG ARG A 40 13.443 -0.026 3.606 1.00 54.52 C ATOM 680 CD ARG A 40 14.926 -0.340 3.530 1.00 44.00 C ATOM 681 NE ARG A 40 15.750 0.867 3.530 1.00 31.54 N ATOM 682 CZ ARG A 40 16.633 1.168 2.581 1.00 33.35 C ATOM 683 NH1 ARG A 40 16.772 0.389 1.510 1.00 14.11 N ATOM 684 NH2 ARG A 40 17.375 2.262 2.697 1.00 72.25 N ATOM 0 H ARG A 40 11.939 2.510 3.399 1.00 5.02 H new ATOM 0 HA ARG A 40 11.028 0.217 4.971 1.00 51.31 H new ATOM 0 HB2 ARG A 40 13.689 1.688 4.863 1.00 62.44 H new ATOM 0 HB3 ARG A 40 13.380 0.199 5.733 1.00 62.44 H new ATOM 0 HG2 ARG A 40 12.874 -0.956 3.601 1.00 54.52 H new ATOM 0 HG3 ARG A 40 13.145 0.535 2.720 1.00 54.52 H new ATOM 0 HD2 ARG A 40 15.206 -0.968 4.376 1.00 44.00 H new ATOM 0 HD3 ARG A 40 15.127 -0.915 2.626 1.00 44.00 H new ATOM 0 HE ARG A 40 15.641 1.520 4.306 1.00 31.54 H new ATOM 0 HH11 ARG A 40 16.198 -0.448 1.411 1.00 14.11 H new ATOM 0 HH12 ARG A 40 17.452 0.630 0.789 1.00 14.11 H new ATOM 0 HH21 ARG A 40 17.267 2.868 3.511 1.00 72.25 H new ATOM 0 HH22 ARG A 40 18.053 2.497 1.973 1.00 72.25 H new ATOM 698 N HIS A 41 11.776 3.173 6.237 1.00 41.40 N ATOM 699 CA HIS A 41 11.599 4.018 7.409 1.00 42.30 C ATOM 700 C HIS A 41 11.005 5.362 7.032 1.00 53.11 C ATOM 701 O HIS A 41 11.270 6.377 7.675 1.00 54.32 O ATOM 702 CB HIS A 41 12.924 4.211 8.152 1.00 34.21 C ATOM 703 CG HIS A 41 13.222 3.105 9.119 1.00 14.33 C ATOM 704 ND1 HIS A 41 14.492 2.802 9.551 1.00 55.11 N ATOM 705 CD2 HIS A 41 12.396 2.245 9.759 1.00 72.43 C ATOM 706 CE1 HIS A 41 14.434 1.801 10.410 1.00 15.34 C ATOM 707 NE2 HIS A 41 13.173 1.444 10.556 1.00 22.15 N ATOM 0 H HIS A 41 12.246 3.628 5.455 1.00 41.40 H new ATOM 0 HA HIS A 41 10.901 3.512 8.076 1.00 42.30 H new ATOM 0 HB2 HIS A 41 13.734 4.279 7.426 1.00 34.21 H new ATOM 0 HB3 HIS A 41 12.897 5.159 8.690 1.00 34.21 H new ATOM 0 HD2 HIS A 41 11.322 2.198 9.660 1.00 72.43 H new ATOM 0 HE1 HIS A 41 15.278 1.350 10.910 1.00 15.34 H new ATOM 0 HE2 HIS A 41 12.832 0.697 11.161 1.00 22.15 H new ATOM 716 N LYS A 42 10.186 5.363 5.996 1.00 1.14 N ATOM 717 CA LYS A 42 9.458 6.560 5.617 1.00 32.14 C ATOM 718 C LYS A 42 8.141 6.624 6.376 1.00 42.25 C ATOM 719 O LYS A 42 7.372 5.661 6.378 1.00 22.25 O ATOM 720 CB LYS A 42 9.190 6.592 4.110 1.00 63.43 C ATOM 721 CG LYS A 42 9.801 7.796 3.414 1.00 21.43 C ATOM 722 CD LYS A 42 11.311 7.669 3.313 1.00 61.30 C ATOM 723 CE LYS A 42 11.949 8.954 2.811 1.00 51.32 C ATOM 724 NZ LYS A 42 12.115 9.956 3.895 1.00 53.20 N ATOM 0 H LYS A 42 10.009 4.552 5.404 1.00 1.14 H new ATOM 0 HA LYS A 42 10.070 7.425 5.872 1.00 32.14 H new ATOM 0 HB2 LYS A 42 9.585 5.682 3.659 1.00 63.43 H new ATOM 0 HB3 LYS A 42 8.113 6.591 3.940 1.00 63.43 H new ATOM 0 HG2 LYS A 42 9.375 7.896 2.416 1.00 21.43 H new ATOM 0 HG3 LYS A 42 9.546 8.703 3.962 1.00 21.43 H new ATOM 0 HD2 LYS A 42 11.721 7.416 4.291 1.00 61.30 H new ATOM 0 HD3 LYS A 42 11.563 6.850 2.640 1.00 61.30 H new ATOM 0 HE2 LYS A 42 12.922 8.729 2.374 1.00 51.32 H new ATOM 0 HE3 LYS A 42 11.334 9.378 2.017 1.00 51.32 H new ATOM 0 HZ1 LYS A 42 12.924 10.572 3.677 1.00 53.20 H new ATOM 0 HZ2 LYS A 42 11.252 10.531 3.971 1.00 53.20 H new ATOM 0 HZ3 LYS A 42 12.286 9.467 4.797 1.00 53.20 H new ATOM 738 N LEU A 43 7.897 7.747 7.037 1.00 52.34 N ATOM 739 CA LEU A 43 6.661 7.951 7.782 1.00 70.25 C ATOM 740 C LEU A 43 5.463 7.939 6.844 1.00 61.42 C ATOM 741 O LEU A 43 5.601 8.200 5.649 1.00 51.31 O ATOM 742 CB LEU A 43 6.704 9.287 8.525 1.00 64.13 C ATOM 743 CG LEU A 43 7.835 9.440 9.540 1.00 34.43 C ATOM 744 CD1 LEU A 43 7.850 10.853 10.099 1.00 21.53 C ATOM 745 CD2 LEU A 43 7.683 8.426 10.661 1.00 60.41 C ATOM 0 H LEU A 43 8.543 8.536 7.073 1.00 52.34 H new ATOM 0 HA LEU A 43 6.562 7.138 8.501 1.00 70.25 H new ATOM 0 HB2 LEU A 43 6.788 10.088 7.791 1.00 64.13 H new ATOM 0 HB3 LEU A 43 5.754 9.426 9.042 1.00 64.13 H new ATOM 0 HG LEU A 43 8.784 9.255 9.036 1.00 34.43 H new ATOM 0 HD11 LEU A 43 8.660 10.950 10.821 1.00 21.53 H new ATOM 0 HD12 LEU A 43 8.001 11.564 9.287 1.00 21.53 H new ATOM 0 HD13 LEU A 43 6.899 11.060 10.590 1.00 21.53 H new ATOM 0 HD21 LEU A 43 8.497 8.549 11.375 1.00 60.41 H new ATOM 0 HD22 LEU A 43 6.730 8.582 11.166 1.00 60.41 H new ATOM 0 HD23 LEU A 43 7.713 7.418 10.247 1.00 60.41 H new ATOM 757 N LEU A 44 4.290 7.648 7.394 1.00 65.20 N ATOM 758 CA LEU A 44 3.051 7.652 6.621 1.00 63.25 C ATOM 759 C LEU A 44 2.854 8.997 5.922 1.00 32.13 C ATOM 760 O LEU A 44 2.466 9.057 4.758 1.00 34.32 O ATOM 761 CB LEU A 44 1.862 7.367 7.541 1.00 71.33 C ATOM 762 CG LEU A 44 0.504 7.277 6.842 1.00 25.04 C ATOM 763 CD1 LEU A 44 0.449 6.057 5.941 1.00 2.25 C ATOM 764 CD2 LEU A 44 -0.620 7.235 7.862 1.00 61.24 C ATOM 0 H LEU A 44 4.169 7.405 8.377 1.00 65.20 H new ATOM 0 HA LEU A 44 3.116 6.873 5.862 1.00 63.25 H new ATOM 0 HB2 LEU A 44 2.046 6.429 8.065 1.00 71.33 H new ATOM 0 HB3 LEU A 44 1.812 8.151 8.297 1.00 71.33 H new ATOM 0 HG LEU A 44 0.376 8.167 6.226 1.00 25.04 H new ATOM 0 HD11 LEU A 44 -0.524 6.009 5.452 1.00 2.25 H new ATOM 0 HD12 LEU A 44 1.232 6.127 5.185 1.00 2.25 H new ATOM 0 HD13 LEU A 44 0.600 5.157 6.537 1.00 2.25 H new ATOM 0 HD21 LEU A 44 -1.578 7.171 7.346 1.00 61.24 H new ATOM 0 HD22 LEU A 44 -0.496 6.364 8.505 1.00 61.24 H new ATOM 0 HD23 LEU A 44 -0.595 8.140 8.469 1.00 61.24 H new ATOM 776 N LYS A 45 3.149 10.073 6.642 1.00 35.42 N ATOM 777 CA LYS A 45 2.967 11.422 6.122 1.00 20.41 C ATOM 778 C LYS A 45 4.201 11.901 5.358 1.00 31.21 C ATOM 779 O LYS A 45 4.196 12.988 4.775 1.00 4.11 O ATOM 780 CB LYS A 45 2.655 12.385 7.271 1.00 62.31 C ATOM 781 CG LYS A 45 3.696 12.372 8.384 1.00 55.23 C ATOM 782 CD LYS A 45 3.352 13.361 9.486 1.00 44.05 C ATOM 783 CE LYS A 45 3.343 14.790 8.968 1.00 51.02 C ATOM 784 NZ LYS A 45 2.993 15.770 10.030 1.00 3.21 N ATOM 0 H LYS A 45 3.517 10.036 7.593 1.00 35.42 H new ATOM 0 HA LYS A 45 2.130 11.403 5.424 1.00 20.41 H new ATOM 0 HB2 LYS A 45 2.575 13.397 6.873 1.00 62.31 H new ATOM 0 HB3 LYS A 45 1.683 12.130 7.693 1.00 62.31 H new ATOM 0 HG2 LYS A 45 3.767 11.369 8.804 1.00 55.23 H new ATOM 0 HG3 LYS A 45 4.675 12.614 7.970 1.00 55.23 H new ATOM 0 HD2 LYS A 45 2.375 13.118 9.903 1.00 44.05 H new ATOM 0 HD3 LYS A 45 4.076 13.271 10.296 1.00 44.05 H new ATOM 0 HE2 LYS A 45 4.324 15.033 8.561 1.00 51.02 H new ATOM 0 HE3 LYS A 45 2.628 14.873 8.149 1.00 51.02 H new ATOM 0 HZ1 LYS A 45 2.999 16.731 9.632 1.00 3.21 H new ATOM 0 HZ2 LYS A 45 2.046 15.555 10.402 1.00 3.21 H new ATOM 0 HZ3 LYS A 45 3.689 15.710 10.800 1.00 3.21 H new ATOM 798 N ASP A 46 5.249 11.086 5.349 1.00 3.23 N ATOM 799 CA ASP A 46 6.497 11.462 4.691 1.00 25.31 C ATOM 800 C ASP A 46 6.500 10.961 3.256 1.00 41.12 C ATOM 801 O ASP A 46 7.326 11.374 2.441 1.00 3.43 O ATOM 802 CB ASP A 46 7.704 10.897 5.447 1.00 3.44 C ATOM 803 CG ASP A 46 9.003 11.568 5.054 1.00 12.04 C ATOM 804 OD1 ASP A 46 9.267 12.691 5.530 1.00 33.02 O ATOM 805 OD2 ASP A 46 9.776 10.969 4.285 1.00 61.43 O ATOM 0 H ASP A 46 5.261 10.165 5.787 1.00 3.23 H new ATOM 0 HA ASP A 46 6.571 12.549 4.691 1.00 25.31 H new ATOM 0 HB2 ASP A 46 7.546 11.019 6.519 1.00 3.44 H new ATOM 0 HB3 ASP A 46 7.780 9.827 5.255 1.00 3.44 H new ATOM 810 N ILE A 47 5.561 10.072 2.952 1.00 32.52 N ATOM 811 CA ILE A 47 5.435 9.516 1.614 1.00 72.02 C ATOM 812 C ILE A 47 5.115 10.613 0.610 1.00 73.13 C ATOM 813 O ILE A 47 4.008 11.153 0.593 1.00 60.25 O ATOM 814 CB ILE A 47 4.338 8.431 1.548 1.00 24.54 C ATOM 815 CG1 ILE A 47 4.618 7.328 2.573 1.00 22.33 C ATOM 816 CG2 ILE A 47 4.249 7.843 0.144 1.00 44.24 C ATOM 817 CD1 ILE A 47 5.954 6.636 2.381 1.00 14.23 C ATOM 0 H ILE A 47 4.874 9.721 3.619 1.00 32.52 H new ATOM 0 HA ILE A 47 6.391 9.056 1.365 1.00 72.02 H new ATOM 0 HB ILE A 47 3.381 8.894 1.788 1.00 24.54 H new ATOM 0 HG12 ILE A 47 4.583 7.758 3.574 1.00 22.33 H new ATOM 0 HG13 ILE A 47 3.823 6.584 2.518 1.00 22.33 H new ATOM 0 HG21 ILE A 47 3.471 7.080 0.118 1.00 44.24 H new ATOM 0 HG22 ILE A 47 4.007 8.633 -0.567 1.00 44.24 H new ATOM 0 HG23 ILE A 47 5.206 7.394 -0.124 1.00 44.24 H new ATOM 0 HD11 ILE A 47 6.079 5.868 3.145 1.00 14.23 H new ATOM 0 HD12 ILE A 47 5.986 6.175 1.394 1.00 14.23 H new ATOM 0 HD13 ILE A 47 6.758 7.367 2.466 1.00 14.23 H new ATOM 829 N LYS A 48 6.098 10.959 -0.202 1.00 72.34 N ATOM 830 CA LYS A 48 5.916 11.977 -1.219 1.00 62.24 C ATOM 831 C LYS A 48 5.132 11.401 -2.387 1.00 60.42 C ATOM 832 O LYS A 48 5.392 10.278 -2.818 1.00 52.25 O ATOM 833 CB LYS A 48 7.269 12.506 -1.701 1.00 2.32 C ATOM 834 CG LYS A 48 8.140 13.067 -0.586 1.00 62.43 C ATOM 835 CD LYS A 48 7.440 14.185 0.176 1.00 74.34 C ATOM 836 CE LYS A 48 7.183 15.398 -0.704 1.00 63.25 C ATOM 837 NZ LYS A 48 6.492 16.482 0.040 1.00 61.00 N ATOM 0 H LYS A 48 7.032 10.549 -0.176 1.00 72.34 H new ATOM 0 HA LYS A 48 5.358 12.808 -0.787 1.00 62.24 H new ATOM 0 HB2 LYS A 48 7.807 11.700 -2.200 1.00 2.32 H new ATOM 0 HB3 LYS A 48 7.100 13.285 -2.445 1.00 2.32 H new ATOM 0 HG2 LYS A 48 8.404 12.267 0.105 1.00 62.43 H new ATOM 0 HG3 LYS A 48 9.072 13.444 -1.008 1.00 62.43 H new ATOM 0 HD2 LYS A 48 6.493 13.817 0.572 1.00 74.34 H new ATOM 0 HD3 LYS A 48 8.050 14.479 1.030 1.00 74.34 H new ATOM 0 HE2 LYS A 48 8.130 15.771 -1.094 1.00 63.25 H new ATOM 0 HE3 LYS A 48 6.579 15.103 -1.562 1.00 63.25 H new ATOM 0 HZ1 LYS A 48 6.334 17.292 -0.593 1.00 61.00 H new ATOM 0 HZ2 LYS A 48 5.577 16.134 0.391 1.00 61.00 H new ATOM 0 HZ3 LYS A 48 7.080 16.781 0.844 1.00 61.00 H new ATOM 851 N ARG A 49 4.177 12.168 -2.891 1.00 74.24 N ATOM 852 CA ARG A 49 3.334 11.713 -3.993 1.00 74.23 C ATOM 853 C ARG A 49 4.160 11.463 -5.253 1.00 72.23 C ATOM 854 O ARG A 49 3.810 10.620 -6.079 1.00 32.32 O ATOM 855 CB ARG A 49 2.219 12.725 -4.267 1.00 64.44 C ATOM 856 CG ARG A 49 2.712 14.137 -4.514 1.00 71.22 C ATOM 857 CD ARG A 49 1.553 15.114 -4.586 1.00 22.51 C ATOM 858 NE ARG A 49 2.003 16.494 -4.756 1.00 21.11 N ATOM 859 CZ ARG A 49 1.447 17.535 -4.138 1.00 0.01 C ATOM 860 NH1 ARG A 49 0.448 17.340 -3.289 1.00 32.13 N ATOM 861 NH2 ARG A 49 1.897 18.762 -4.361 1.00 40.13 N ATOM 0 H ARG A 49 3.964 13.108 -2.557 1.00 74.24 H new ATOM 0 HA ARG A 49 2.878 10.767 -3.701 1.00 74.23 H new ATOM 0 HB2 ARG A 49 1.648 12.394 -5.134 1.00 64.44 H new ATOM 0 HB3 ARG A 49 1.534 12.734 -3.419 1.00 64.44 H new ATOM 0 HG2 ARG A 49 3.393 14.433 -3.716 1.00 71.22 H new ATOM 0 HG3 ARG A 49 3.279 14.170 -5.445 1.00 71.22 H new ATOM 0 HD2 ARG A 49 0.901 14.841 -5.416 1.00 22.51 H new ATOM 0 HD3 ARG A 49 0.958 15.037 -3.676 1.00 22.51 H new ATOM 0 HE ARG A 49 2.788 16.670 -5.384 1.00 21.11 H new ATOM 0 HH11 ARG A 49 0.107 16.395 -3.111 1.00 32.13 H new ATOM 0 HH12 ARG A 49 0.020 18.135 -2.814 1.00 32.13 H new ATOM 0 HH21 ARG A 49 2.672 18.911 -5.008 1.00 40.13 H new ATOM 0 HH22 ARG A 49 1.469 19.556 -3.886 1.00 40.13 H new ATOM 875 N THR A 50 5.264 12.185 -5.387 1.00 13.42 N ATOM 876 CA THR A 50 6.182 11.967 -6.492 1.00 13.14 C ATOM 877 C THR A 50 6.846 10.597 -6.370 1.00 34.14 C ATOM 878 O THR A 50 6.919 9.845 -7.340 1.00 73.10 O ATOM 879 CB THR A 50 7.260 13.065 -6.551 1.00 12.31 C ATOM 880 OG1 THR A 50 7.771 13.325 -5.235 1.00 73.41 O ATOM 881 CG2 THR A 50 6.699 14.346 -7.146 1.00 10.04 C ATOM 0 H THR A 50 5.544 12.926 -4.744 1.00 13.42 H new ATOM 0 HA THR A 50 5.603 12.006 -7.415 1.00 13.14 H new ATOM 0 HB THR A 50 8.069 12.712 -7.190 1.00 12.31 H new ATOM 0 HG1 THR A 50 8.457 14.023 -5.283 1.00 73.41 H new ATOM 0 HG21 THR A 50 7.480 15.106 -7.177 1.00 10.04 H new ATOM 0 HG22 THR A 50 6.342 14.152 -8.157 1.00 10.04 H new ATOM 0 HG23 THR A 50 5.872 14.701 -6.531 1.00 10.04 H new ATOM 889 N GLU A 51 7.296 10.274 -5.161 1.00 13.53 N ATOM 890 CA GLU A 51 7.952 8.999 -4.890 1.00 3.44 C ATOM 891 C GLU A 51 6.945 7.857 -4.944 1.00 31.25 C ATOM 892 O GLU A 51 7.286 6.730 -5.304 1.00 61.31 O ATOM 893 CB GLU A 51 8.639 9.036 -3.525 1.00 54.33 C ATOM 894 CG GLU A 51 9.715 10.103 -3.417 1.00 44.33 C ATOM 895 CD GLU A 51 10.855 9.888 -4.392 1.00 15.30 C ATOM 896 OE1 GLU A 51 10.763 10.377 -5.540 1.00 54.31 O ATOM 897 OE2 GLU A 51 11.850 9.237 -4.010 1.00 44.40 O ATOM 0 H GLU A 51 7.217 10.884 -4.347 1.00 13.53 H new ATOM 0 HA GLU A 51 8.707 8.830 -5.657 1.00 3.44 H new ATOM 0 HB2 GLU A 51 7.888 9.209 -2.754 1.00 54.33 H new ATOM 0 HB3 GLU A 51 9.084 8.061 -3.324 1.00 54.33 H new ATOM 0 HG2 GLU A 51 9.269 11.081 -3.596 1.00 44.33 H new ATOM 0 HG3 GLU A 51 10.109 10.114 -2.401 1.00 44.33 H new ATOM 904 N TYR A 52 5.706 8.160 -4.580 1.00 14.20 N ATOM 905 CA TYR A 52 4.615 7.199 -4.684 1.00 2.15 C ATOM 906 C TYR A 52 4.436 6.767 -6.137 1.00 43.52 C ATOM 907 O TYR A 52 4.173 5.598 -6.426 1.00 52.12 O ATOM 908 CB TYR A 52 3.320 7.816 -4.146 1.00 65.32 C ATOM 909 CG TYR A 52 2.112 6.910 -4.246 1.00 61.22 C ATOM 910 CD1 TYR A 52 2.043 5.727 -3.522 1.00 20.02 C ATOM 911 CD2 TYR A 52 1.037 7.246 -5.058 1.00 54.54 C ATOM 912 CE1 TYR A 52 0.937 4.906 -3.605 1.00 12.11 C ATOM 913 CE2 TYR A 52 -0.072 6.428 -5.147 1.00 30.52 C ATOM 914 CZ TYR A 52 -0.118 5.259 -4.420 1.00 75.23 C ATOM 915 OH TYR A 52 -1.225 4.446 -4.496 1.00 72.11 O ATOM 0 H TYR A 52 5.430 9.069 -4.208 1.00 14.20 H new ATOM 0 HA TYR A 52 4.857 6.320 -4.087 1.00 2.15 H new ATOM 0 HB2 TYR A 52 3.468 8.091 -3.102 1.00 65.32 H new ATOM 0 HB3 TYR A 52 3.115 8.737 -4.692 1.00 65.32 H new ATOM 0 HD1 TYR A 52 2.868 5.445 -2.884 1.00 20.02 H new ATOM 0 HD2 TYR A 52 1.069 8.162 -5.629 1.00 54.54 H new ATOM 0 HE1 TYR A 52 0.898 3.990 -3.034 1.00 12.11 H new ATOM 0 HE2 TYR A 52 -0.900 6.704 -5.784 1.00 30.52 H new ATOM 0 HH TYR A 52 -1.632 4.530 -5.384 1.00 72.11 H new ATOM 925 N GLN A 53 4.605 7.719 -7.049 1.00 61.42 N ATOM 926 CA GLN A 53 4.523 7.438 -8.474 1.00 72.55 C ATOM 927 C GLN A 53 5.668 6.522 -8.908 1.00 24.20 C ATOM 928 O GLN A 53 5.472 5.639 -9.741 1.00 60.11 O ATOM 929 CB GLN A 53 4.542 8.743 -9.274 1.00 72.43 C ATOM 930 CG GLN A 53 4.320 8.555 -10.769 1.00 10.33 C ATOM 931 CD GLN A 53 3.003 7.876 -11.086 1.00 51.24 C ATOM 932 OE1 GLN A 53 1.972 8.531 -11.227 1.00 43.42 O ATOM 933 NE2 GLN A 53 3.030 6.560 -11.222 1.00 35.43 N ATOM 0 H GLN A 53 4.800 8.694 -6.823 1.00 61.42 H new ATOM 0 HA GLN A 53 3.583 6.924 -8.673 1.00 72.55 H new ATOM 0 HB2 GLN A 53 3.772 9.408 -8.883 1.00 72.43 H new ATOM 0 HB3 GLN A 53 5.500 9.239 -9.119 1.00 72.43 H new ATOM 0 HG2 GLN A 53 4.350 9.527 -11.261 1.00 10.33 H new ATOM 0 HG3 GLN A 53 5.137 7.963 -11.182 1.00 10.33 H new ATOM 0 HE21 GLN A 53 3.906 6.052 -11.097 1.00 35.43 H new ATOM 0 HE22 GLN A 53 2.175 6.053 -11.452 1.00 35.43 H new ATOM 942 N LYS A 54 6.855 6.723 -8.332 1.00 33.14 N ATOM 943 CA LYS A 54 8.003 5.848 -8.607 1.00 15.34 C ATOM 944 C LYS A 54 7.673 4.414 -8.221 1.00 72.54 C ATOM 945 O LYS A 54 7.964 3.475 -8.964 1.00 75.54 O ATOM 946 CB LYS A 54 9.253 6.296 -7.835 1.00 30.13 C ATOM 947 CG LYS A 54 10.069 7.388 -8.512 1.00 72.42 C ATOM 948 CD LYS A 54 9.321 8.708 -8.572 1.00 31.03 C ATOM 949 CE LYS A 54 10.220 9.844 -9.026 1.00 64.03 C ATOM 950 NZ LYS A 54 11.373 10.031 -8.107 1.00 22.42 N ATOM 0 H LYS A 54 7.049 7.479 -7.675 1.00 33.14 H new ATOM 0 HA LYS A 54 8.212 5.911 -9.675 1.00 15.34 H new ATOM 0 HB2 LYS A 54 8.947 6.650 -6.851 1.00 30.13 H new ATOM 0 HB3 LYS A 54 9.894 5.429 -7.677 1.00 30.13 H new ATOM 0 HG2 LYS A 54 11.006 7.527 -7.972 1.00 72.42 H new ATOM 0 HG3 LYS A 54 10.328 7.072 -9.523 1.00 72.42 H new ATOM 0 HD2 LYS A 54 8.477 8.617 -9.255 1.00 31.03 H new ATOM 0 HD3 LYS A 54 8.911 8.939 -7.589 1.00 31.03 H new ATOM 0 HE2 LYS A 54 10.586 9.639 -10.032 1.00 64.03 H new ATOM 0 HE3 LYS A 54 9.642 10.767 -9.078 1.00 64.03 H new ATOM 0 HZ1 LYS A 54 11.755 10.992 -8.220 1.00 22.42 H new ATOM 0 HZ2 LYS A 54 11.059 9.896 -7.125 1.00 22.42 H new ATOM 0 HZ3 LYS A 54 12.113 9.336 -8.333 1.00 22.42 H new ATOM 964 N PHE A 55 7.061 4.267 -7.053 1.00 33.31 N ATOM 965 CA PHE A 55 6.629 2.971 -6.552 1.00 24.15 C ATOM 966 C PHE A 55 5.673 2.310 -7.541 1.00 52.32 C ATOM 967 O PHE A 55 5.803 1.125 -7.843 1.00 4.54 O ATOM 968 CB PHE A 55 5.955 3.158 -5.189 1.00 74.21 C ATOM 969 CG PHE A 55 5.405 1.896 -4.585 1.00 72.14 C ATOM 970 CD1 PHE A 55 6.254 0.896 -4.145 1.00 53.13 C ATOM 971 CD2 PHE A 55 4.037 1.718 -4.446 1.00 21.14 C ATOM 972 CE1 PHE A 55 5.751 -0.261 -3.581 1.00 60.33 C ATOM 973 CE2 PHE A 55 3.531 0.564 -3.883 1.00 51.24 C ATOM 974 CZ PHE A 55 4.389 -0.428 -3.450 1.00 35.51 C ATOM 0 H PHE A 55 6.851 5.044 -6.427 1.00 33.31 H new ATOM 0 HA PHE A 55 7.495 2.319 -6.436 1.00 24.15 H new ATOM 0 HB2 PHE A 55 6.677 3.591 -4.497 1.00 74.21 H new ATOM 0 HB3 PHE A 55 5.144 3.878 -5.295 1.00 74.21 H new ATOM 0 HD1 PHE A 55 7.322 1.021 -4.243 1.00 53.13 H new ATOM 0 HD2 PHE A 55 3.361 2.490 -4.782 1.00 21.14 H new ATOM 0 HE1 PHE A 55 6.425 -1.034 -3.243 1.00 60.33 H new ATOM 0 HE2 PHE A 55 2.463 0.437 -3.781 1.00 51.24 H new ATOM 0 HZ PHE A 55 3.994 -1.332 -3.010 1.00 35.51 H new ATOM 984 N LEU A 56 4.728 3.091 -8.056 1.00 2.00 N ATOM 985 CA LEU A 56 3.752 2.584 -9.015 1.00 52.44 C ATOM 986 C LEU A 56 4.413 2.237 -10.346 1.00 31.53 C ATOM 987 O LEU A 56 4.118 1.203 -10.938 1.00 50.20 O ATOM 988 CB LEU A 56 2.638 3.608 -9.246 1.00 25.44 C ATOM 989 CG LEU A 56 1.812 3.969 -8.012 1.00 12.21 C ATOM 990 CD1 LEU A 56 0.773 5.023 -8.362 1.00 21.41 C ATOM 991 CD2 LEU A 56 1.142 2.732 -7.426 1.00 71.34 C ATOM 0 H LEU A 56 4.617 4.078 -7.825 1.00 2.00 H new ATOM 0 HA LEU A 56 3.321 1.676 -8.594 1.00 52.44 H new ATOM 0 HB2 LEU A 56 3.083 4.520 -9.644 1.00 25.44 H new ATOM 0 HB3 LEU A 56 1.966 3.221 -10.012 1.00 25.44 H new ATOM 0 HG LEU A 56 2.484 4.379 -7.258 1.00 12.21 H new ATOM 0 HD11 LEU A 56 0.192 5.270 -7.474 1.00 21.41 H new ATOM 0 HD12 LEU A 56 1.273 5.919 -8.730 1.00 21.41 H new ATOM 0 HD13 LEU A 56 0.108 4.636 -9.134 1.00 21.41 H new ATOM 0 HD21 LEU A 56 0.560 3.015 -6.549 1.00 71.34 H new ATOM 0 HD22 LEU A 56 0.482 2.288 -8.171 1.00 71.34 H new ATOM 0 HD23 LEU A 56 1.904 2.008 -7.138 1.00 71.34 H new ATOM 1003 N ASN A 57 5.307 3.107 -10.810 1.00 1.52 N ATOM 1004 CA ASN A 57 5.999 2.892 -12.081 1.00 70.30 C ATOM 1005 C ASN A 57 6.802 1.601 -12.044 1.00 52.32 C ATOM 1006 O ASN A 57 6.697 0.770 -12.943 1.00 53.15 O ATOM 1007 CB ASN A 57 6.942 4.057 -12.416 1.00 22.22 C ATOM 1008 CG ASN A 57 6.216 5.355 -12.712 1.00 34.12 C ATOM 1009 OD1 ASN A 57 5.070 5.359 -13.166 1.00 51.04 O ATOM 1010 ND2 ASN A 57 6.891 6.469 -12.469 1.00 34.22 N ATOM 0 H ASN A 57 5.570 3.966 -10.327 1.00 1.52 H new ATOM 0 HA ASN A 57 5.233 2.827 -12.854 1.00 70.30 H new ATOM 0 HB2 ASN A 57 7.625 4.214 -11.581 1.00 22.22 H new ATOM 0 HB3 ASN A 57 7.551 3.785 -13.278 1.00 22.22 H new ATOM 0 HD21 ASN A 57 6.464 7.376 -12.658 1.00 34.22 H new ATOM 0 HD22 ASN A 57 7.838 6.420 -12.093 1.00 34.22 H new ATOM 1017 N GLU A 58 7.589 1.441 -10.988 1.00 71.44 N ATOM 1018 CA GLU A 58 8.472 0.292 -10.845 1.00 53.32 C ATOM 1019 C GLU A 58 7.651 -0.988 -10.694 1.00 63.31 C ATOM 1020 O GLU A 58 7.927 -2.002 -11.344 1.00 61.14 O ATOM 1021 CB GLU A 58 9.395 0.512 -9.638 1.00 53.34 C ATOM 1022 CG GLU A 58 10.665 -0.327 -9.640 1.00 14.54 C ATOM 1023 CD GLU A 58 10.465 -1.721 -9.090 1.00 31.32 C ATOM 1024 OE1 GLU A 58 10.313 -1.858 -7.861 1.00 12.24 O ATOM 1025 OE2 GLU A 58 10.470 -2.688 -9.880 1.00 3.43 O ATOM 0 H GLU A 58 7.633 2.100 -10.211 1.00 71.44 H new ATOM 0 HA GLU A 58 9.088 0.184 -11.738 1.00 53.32 H new ATOM 0 HB2 GLU A 58 9.673 1.565 -9.599 1.00 53.34 H new ATOM 0 HB3 GLU A 58 8.836 0.296 -8.728 1.00 53.34 H new ATOM 0 HG2 GLU A 58 11.043 -0.398 -10.660 1.00 14.54 H new ATOM 0 HG3 GLU A 58 11.429 0.182 -9.051 1.00 14.54 H new ATOM 1032 N TYR A 59 6.619 -0.920 -9.862 1.00 10.31 N ATOM 1033 CA TYR A 59 5.738 -2.059 -9.622 1.00 14.11 C ATOM 1034 C TYR A 59 4.985 -2.432 -10.900 1.00 1.02 C ATOM 1035 O TYR A 59 4.778 -3.613 -11.191 1.00 74.25 O ATOM 1036 CB TYR A 59 4.746 -1.722 -8.499 1.00 54.51 C ATOM 1037 CG TYR A 59 3.898 -2.888 -8.030 1.00 14.34 C ATOM 1038 CD1 TYR A 59 2.681 -3.179 -8.635 1.00 10.13 C ATOM 1039 CD2 TYR A 59 4.309 -3.689 -6.970 1.00 62.21 C ATOM 1040 CE1 TYR A 59 1.902 -4.235 -8.202 1.00 21.41 C ATOM 1041 CE2 TYR A 59 3.533 -4.745 -6.530 1.00 40.30 C ATOM 1042 CZ TYR A 59 2.332 -5.014 -7.149 1.00 44.33 C ATOM 1043 OH TYR A 59 1.561 -6.067 -6.718 1.00 20.20 O ATOM 0 H TYR A 59 6.369 -0.081 -9.338 1.00 10.31 H new ATOM 0 HA TYR A 59 6.343 -2.914 -9.318 1.00 14.11 H new ATOM 0 HB2 TYR A 59 5.302 -1.329 -7.648 1.00 54.51 H new ATOM 0 HB3 TYR A 59 4.086 -0.926 -8.843 1.00 54.51 H new ATOM 0 HD1 TYR A 59 2.338 -2.569 -9.458 1.00 10.13 H new ATOM 0 HD2 TYR A 59 5.250 -3.483 -6.482 1.00 62.21 H new ATOM 0 HE1 TYR A 59 0.961 -4.449 -8.686 1.00 21.41 H new ATOM 0 HE2 TYR A 59 3.867 -5.356 -5.705 1.00 40.30 H new ATOM 0 HH TYR A 59 2.007 -6.514 -5.969 1.00 20.20 H new ATOM 1053 N GLY A 60 4.596 -1.418 -11.665 1.00 4.31 N ATOM 1054 CA GLY A 60 3.835 -1.638 -12.881 1.00 75.12 C ATOM 1055 C GLY A 60 4.697 -2.087 -14.044 1.00 30.05 C ATOM 1056 O GLY A 60 4.195 -2.311 -15.147 1.00 5.34 O ATOM 0 H GLY A 60 4.797 -0.439 -11.462 1.00 4.31 H new ATOM 0 HA2 GLY A 60 3.068 -2.389 -12.693 1.00 75.12 H new ATOM 0 HA3 GLY A 60 3.319 -0.717 -13.152 1.00 75.12 H new ATOM 1060 N LEU A 61 5.996 -2.196 -13.814 1.00 14.53 N ATOM 1061 CA LEU A 61 6.903 -2.733 -14.819 1.00 35.34 C ATOM 1062 C LEU A 61 7.031 -4.241 -14.658 1.00 0.42 C ATOM 1063 O LEU A 61 7.487 -4.938 -15.562 1.00 73.04 O ATOM 1064 CB LEU A 61 8.289 -2.092 -14.708 1.00 71.44 C ATOM 1065 CG LEU A 61 8.365 -0.604 -15.053 1.00 44.03 C ATOM 1066 CD1 LEU A 61 9.760 -0.063 -14.777 1.00 61.41 C ATOM 1067 CD2 LEU A 61 7.988 -0.371 -16.507 1.00 40.51 C ATOM 0 H LEU A 61 6.447 -1.920 -12.941 1.00 14.53 H new ATOM 0 HA LEU A 61 6.489 -2.503 -15.801 1.00 35.34 H new ATOM 0 HB2 LEU A 61 8.651 -2.228 -13.689 1.00 71.44 H new ATOM 0 HB3 LEU A 61 8.972 -2.633 -15.363 1.00 71.44 H new ATOM 0 HG LEU A 61 7.654 -0.071 -14.422 1.00 44.03 H new ATOM 0 HD11 LEU A 61 9.795 0.997 -15.028 1.00 61.41 H new ATOM 0 HD12 LEU A 61 9.999 -0.194 -13.722 1.00 61.41 H new ATOM 0 HD13 LEU A 61 10.487 -0.604 -15.383 1.00 61.41 H new ATOM 0 HD21 LEU A 61 8.048 0.694 -16.732 1.00 40.51 H new ATOM 0 HD22 LEU A 61 8.675 -0.918 -17.153 1.00 40.51 H new ATOM 0 HD23 LEU A 61 6.970 -0.721 -16.680 1.00 40.51 H new ATOM 1079 N THR A 62 6.627 -4.740 -13.500 1.00 11.32 N ATOM 1080 CA THR A 62 6.791 -6.148 -13.181 1.00 51.25 C ATOM 1081 C THR A 62 5.455 -6.830 -12.912 1.00 30.15 C ATOM 1082 O THR A 62 5.412 -8.013 -12.581 1.00 14.34 O ATOM 1083 CB THR A 62 7.693 -6.314 -11.948 1.00 55.33 C ATOM 1084 OG1 THR A 62 7.220 -5.478 -10.879 1.00 52.52 O ATOM 1085 CG2 THR A 62 9.127 -5.951 -12.283 1.00 20.43 C ATOM 0 H THR A 62 6.183 -4.189 -12.765 1.00 11.32 H new ATOM 0 HA THR A 62 7.251 -6.621 -14.049 1.00 51.25 H new ATOM 0 HB THR A 62 7.660 -7.357 -11.634 1.00 55.33 H new ATOM 0 HG1 THR A 62 6.311 -5.748 -10.630 1.00 52.52 H new ATOM 0 HG21 THR A 62 9.750 -6.075 -11.397 1.00 20.43 H new ATOM 0 HG22 THR A 62 9.491 -6.603 -13.077 1.00 20.43 H new ATOM 0 HG23 THR A 62 9.172 -4.914 -12.616 1.00 20.43 H new ATOM 1093 N HIS A 63 4.361 -6.090 -13.052 1.00 24.14 N ATOM 1094 CA HIS A 63 3.045 -6.613 -12.708 1.00 22.34 C ATOM 1095 C HIS A 63 1.994 -6.179 -13.719 1.00 11.11 C ATOM 1096 O HIS A 63 2.190 -5.218 -14.460 1.00 65.12 O ATOM 1097 CB HIS A 63 2.636 -6.153 -11.305 1.00 30.40 C ATOM 1098 CG HIS A 63 3.444 -6.774 -10.208 1.00 51.11 C ATOM 1099 ND1 HIS A 63 4.643 -6.256 -9.767 1.00 22.02 N ATOM 1100 CD2 HIS A 63 3.217 -7.875 -9.455 1.00 43.24 C ATOM 1101 CE1 HIS A 63 5.115 -7.010 -8.792 1.00 54.24 C ATOM 1102 NE2 HIS A 63 4.269 -7.999 -8.583 1.00 51.31 N ATOM 0 H HIS A 63 4.359 -5.131 -13.399 1.00 24.14 H new ATOM 0 HA HIS A 63 3.108 -7.701 -12.726 1.00 22.34 H new ATOM 0 HB2 HIS A 63 2.732 -5.069 -11.246 1.00 30.40 H new ATOM 0 HB3 HIS A 63 1.584 -6.389 -11.147 1.00 30.40 H new ATOM 0 HD2 HIS A 63 2.365 -8.535 -9.527 1.00 43.24 H new ATOM 0 HE1 HIS A 63 6.038 -6.845 -8.256 1.00 54.24 H new ATOM 0 HE2 HIS A 63 4.379 -8.736 -7.887 1.00 51.31 H new ATOM 1111 N SER A 64 0.879 -6.896 -13.736 1.00 61.23 N ATOM 1112 CA SER A 64 -0.224 -6.583 -14.629 1.00 71.11 C ATOM 1113 C SER A 64 -1.062 -5.441 -14.054 1.00 15.43 C ATOM 1114 O SER A 64 -0.898 -5.067 -12.889 1.00 42.21 O ATOM 1115 CB SER A 64 -1.089 -7.828 -14.852 1.00 34.21 C ATOM 1116 OG SER A 64 -2.051 -7.611 -15.872 1.00 2.14 O ATOM 0 H SER A 64 0.716 -7.704 -13.136 1.00 61.23 H new ATOM 0 HA SER A 64 0.178 -6.264 -15.590 1.00 71.11 H new ATOM 0 HB2 SER A 64 -0.454 -8.671 -15.122 1.00 34.21 H new ATOM 0 HB3 SER A 64 -1.594 -8.094 -13.923 1.00 34.21 H new ATOM 0 HG SER A 64 -2.587 -8.422 -15.994 1.00 2.14 H new ATOM 1122 N TYR A 65 -1.973 -4.908 -14.865 1.00 54.43 N ATOM 1123 CA TYR A 65 -2.743 -3.731 -14.485 1.00 51.11 C ATOM 1124 C TYR A 65 -3.639 -3.996 -13.278 1.00 14.32 C ATOM 1125 O TYR A 65 -3.765 -3.147 -12.401 1.00 10.20 O ATOM 1126 CB TYR A 65 -3.589 -3.224 -15.656 1.00 63.22 C ATOM 1127 CG TYR A 65 -4.395 -1.989 -15.310 1.00 32.03 C ATOM 1128 CD1 TYR A 65 -3.769 -0.768 -15.094 1.00 31.14 C ATOM 1129 CD2 TYR A 65 -5.779 -2.047 -15.176 1.00 1.34 C ATOM 1130 CE1 TYR A 65 -4.494 0.359 -14.761 1.00 41.44 C ATOM 1131 CE2 TYR A 65 -6.510 -0.922 -14.841 1.00 61.35 C ATOM 1132 CZ TYR A 65 -5.862 0.277 -14.636 1.00 21.55 C ATOM 1133 OH TYR A 65 -6.584 1.401 -14.298 1.00 33.41 O ATOM 0 H TYR A 65 -2.195 -5.275 -15.791 1.00 54.43 H new ATOM 0 HA TYR A 65 -2.021 -2.963 -14.208 1.00 51.11 H new ATOM 0 HB2 TYR A 65 -2.936 -3.001 -16.500 1.00 63.22 H new ATOM 0 HB3 TYR A 65 -4.266 -4.015 -15.978 1.00 63.22 H new ATOM 0 HD1 TYR A 65 -2.695 -0.699 -15.188 1.00 31.14 H new ATOM 0 HD2 TYR A 65 -6.290 -2.985 -15.336 1.00 1.34 H new ATOM 0 HE1 TYR A 65 -3.990 1.300 -14.599 1.00 41.44 H new ATOM 0 HE2 TYR A 65 -7.584 -0.983 -14.740 1.00 61.35 H new ATOM 0 HH TYR A 65 -7.537 1.176 -14.251 1.00 33.41 H new ATOM 1143 N GLU A 66 -4.263 -5.162 -13.225 1.00 31.23 N ATOM 1144 CA GLU A 66 -5.151 -5.473 -12.112 1.00 62.11 C ATOM 1145 C GLU A 66 -4.365 -5.684 -10.826 1.00 71.20 C ATOM 1146 O GLU A 66 -4.827 -5.321 -9.746 1.00 54.42 O ATOM 1147 CB GLU A 66 -6.021 -6.693 -12.406 1.00 34.10 C ATOM 1148 CG GLU A 66 -7.101 -6.423 -13.436 1.00 24.20 C ATOM 1149 CD GLU A 66 -8.353 -7.230 -13.181 1.00 52.23 C ATOM 1150 OE1 GLU A 66 -9.127 -6.854 -12.273 1.00 54.40 O ATOM 1151 OE2 GLU A 66 -8.578 -8.233 -13.889 1.00 63.51 O ATOM 0 H GLU A 66 -4.175 -5.898 -13.925 1.00 31.23 H new ATOM 0 HA GLU A 66 -5.810 -4.615 -11.980 1.00 62.11 H new ATOM 0 HB2 GLU A 66 -5.387 -7.507 -12.759 1.00 34.10 H new ATOM 0 HB3 GLU A 66 -6.487 -7.030 -11.480 1.00 34.10 H new ATOM 0 HG2 GLU A 66 -7.348 -5.361 -13.430 1.00 24.20 H new ATOM 0 HG3 GLU A 66 -6.718 -6.655 -14.430 1.00 24.20 H new ATOM 1158 N THR A 67 -3.173 -6.246 -10.948 1.00 41.23 N ATOM 1159 CA THR A 67 -2.327 -6.483 -9.789 1.00 52.20 C ATOM 1160 C THR A 67 -1.911 -5.157 -9.150 1.00 31.54 C ATOM 1161 O THR A 67 -1.977 -4.999 -7.930 1.00 50.01 O ATOM 1162 CB THR A 67 -1.079 -7.298 -10.173 1.00 64.55 C ATOM 1163 OG1 THR A 67 -1.475 -8.465 -10.910 1.00 74.02 O ATOM 1164 CG2 THR A 67 -0.304 -7.724 -8.934 1.00 41.53 C ATOM 0 H THR A 67 -2.770 -6.546 -11.836 1.00 41.23 H new ATOM 0 HA THR A 67 -2.904 -7.059 -9.065 1.00 52.20 H new ATOM 0 HB THR A 67 -0.434 -6.669 -10.787 1.00 64.55 H new ATOM 0 HG1 THR A 67 -0.680 -8.982 -11.156 1.00 74.02 H new ATOM 0 HG21 THR A 67 0.573 -8.298 -9.233 1.00 41.53 H new ATOM 0 HG22 THR A 67 0.013 -6.840 -8.381 1.00 41.53 H new ATOM 0 HG23 THR A 67 -0.942 -8.340 -8.300 1.00 41.53 H new ATOM 1172 N ILE A 68 -1.507 -4.196 -9.978 1.00 13.33 N ATOM 1173 CA ILE A 68 -1.149 -2.875 -9.478 1.00 2.04 C ATOM 1174 C ILE A 68 -2.404 -2.119 -9.027 1.00 24.53 C ATOM 1175 O ILE A 68 -2.359 -1.338 -8.078 1.00 62.11 O ATOM 1176 CB ILE A 68 -0.341 -2.047 -10.515 1.00 14.34 C ATOM 1177 CG1 ILE A 68 0.135 -0.731 -9.893 1.00 54.32 C ATOM 1178 CG2 ILE A 68 -1.157 -1.774 -11.770 1.00 51.11 C ATOM 1179 CD1 ILE A 68 0.992 0.104 -10.820 1.00 43.44 C ATOM 0 H ILE A 68 -1.421 -4.307 -10.988 1.00 13.33 H new ATOM 0 HA ILE A 68 -0.495 -3.019 -8.618 1.00 2.04 H new ATOM 0 HB ILE A 68 0.528 -2.637 -10.805 1.00 14.34 H new ATOM 0 HG12 ILE A 68 -0.734 -0.147 -9.591 1.00 54.32 H new ATOM 0 HG13 ILE A 68 0.701 -0.951 -8.988 1.00 54.32 H new ATOM 0 HG21 ILE A 68 -0.560 -1.193 -12.473 1.00 51.11 H new ATOM 0 HG22 ILE A 68 -1.442 -2.719 -12.231 1.00 51.11 H new ATOM 0 HG23 ILE A 68 -2.054 -1.214 -11.506 1.00 51.11 H new ATOM 0 HD11 ILE A 68 1.292 1.020 -10.312 1.00 43.44 H new ATOM 0 HD12 ILE A 68 1.880 -0.461 -11.102 1.00 43.44 H new ATOM 0 HD13 ILE A 68 0.422 0.355 -11.715 1.00 43.44 H new ATOM 1191 N ARG A 69 -3.522 -2.365 -9.712 1.00 0.25 N ATOM 1192 CA ARG A 69 -4.805 -1.783 -9.328 1.00 32.45 C ATOM 1193 C ARG A 69 -5.146 -2.145 -7.886 1.00 51.34 C ATOM 1194 O ARG A 69 -5.486 -1.273 -7.089 1.00 51.04 O ATOM 1195 CB ARG A 69 -5.922 -2.264 -10.257 1.00 11.03 C ATOM 1196 CG ARG A 69 -7.268 -1.616 -9.976 1.00 63.22 C ATOM 1197 CD ARG A 69 -8.394 -2.324 -10.712 1.00 65.41 C ATOM 1198 NE ARG A 69 -9.675 -1.635 -10.549 1.00 32.11 N ATOM 1199 CZ ARG A 69 -10.549 -1.878 -9.571 1.00 75.21 C ATOM 1200 NH1 ARG A 69 -10.284 -2.784 -8.633 1.00 20.00 N ATOM 1201 NH2 ARG A 69 -11.694 -1.207 -9.539 1.00 30.04 N ATOM 0 H ARG A 69 -3.563 -2.964 -10.536 1.00 0.25 H new ATOM 0 HA ARG A 69 -4.720 -0.700 -9.414 1.00 32.45 H new ATOM 0 HB2 ARG A 69 -5.638 -2.059 -11.289 1.00 11.03 H new ATOM 0 HB3 ARG A 69 -6.022 -3.345 -10.162 1.00 11.03 H new ATOM 0 HG2 ARG A 69 -7.465 -1.635 -8.904 1.00 63.22 H new ATOM 0 HG3 ARG A 69 -7.238 -0.569 -10.276 1.00 63.22 H new ATOM 0 HD2 ARG A 69 -8.150 -2.389 -11.772 1.00 65.41 H new ATOM 0 HD3 ARG A 69 -8.482 -3.346 -10.342 1.00 65.41 H new ATOM 0 HE ARG A 69 -9.917 -0.917 -11.232 1.00 32.11 H new ATOM 0 HH11 ARG A 69 -9.405 -3.301 -8.657 1.00 20.00 H new ATOM 0 HH12 ARG A 69 -10.960 -2.961 -7.890 1.00 20.00 H new ATOM 0 HH21 ARG A 69 -11.899 -0.513 -10.258 1.00 30.04 H new ATOM 0 HH22 ARG A 69 -12.369 -1.385 -8.795 1.00 30.04 H new ATOM 1215 N LYS A 70 -5.050 -3.437 -7.557 1.00 44.33 N ATOM 1216 CA LYS A 70 -5.288 -3.901 -6.191 1.00 44.31 C ATOM 1217 C LYS A 70 -4.401 -3.154 -5.211 1.00 21.33 C ATOM 1218 O LYS A 70 -4.874 -2.630 -4.203 1.00 63.21 O ATOM 1219 CB LYS A 70 -5.019 -5.402 -6.052 1.00 33.21 C ATOM 1220 CG LYS A 70 -6.257 -6.275 -6.169 1.00 52.45 C ATOM 1221 CD LYS A 70 -6.601 -6.599 -7.610 1.00 13.54 C ATOM 1222 CE LYS A 70 -7.815 -7.505 -7.687 1.00 32.20 C ATOM 1223 NZ LYS A 70 -9.071 -6.776 -7.379 1.00 34.14 N ATOM 0 H LYS A 70 -4.810 -4.176 -8.217 1.00 44.33 H new ATOM 0 HA LYS A 70 -6.337 -3.707 -5.966 1.00 44.31 H new ATOM 0 HB2 LYS A 70 -4.303 -5.703 -6.817 1.00 33.21 H new ATOM 0 HB3 LYS A 70 -4.549 -5.587 -5.086 1.00 33.21 H new ATOM 0 HG2 LYS A 70 -6.098 -7.202 -5.619 1.00 52.45 H new ATOM 0 HG3 LYS A 70 -7.101 -5.768 -5.702 1.00 52.45 H new ATOM 0 HD2 LYS A 70 -6.795 -5.677 -8.158 1.00 13.54 H new ATOM 0 HD3 LYS A 70 -5.751 -7.082 -8.091 1.00 13.54 H new ATOM 0 HE2 LYS A 70 -7.882 -7.938 -8.685 1.00 32.20 H new ATOM 0 HE3 LYS A 70 -7.695 -8.333 -6.988 1.00 32.20 H new ATOM 0 HZ1 LYS A 70 -9.882 -7.418 -7.492 1.00 34.14 H new ATOM 0 HZ2 LYS A 70 -9.039 -6.428 -6.400 1.00 34.14 H new ATOM 0 HZ3 LYS A 70 -9.174 -5.971 -8.029 1.00 34.14 H new ATOM 1237 N LEU A 71 -3.113 -3.109 -5.526 1.00 3.15 N ATOM 1238 CA LEU A 71 -2.130 -2.420 -4.700 1.00 61.51 C ATOM 1239 C LEU A 71 -2.561 -0.982 -4.428 1.00 51.34 C ATOM 1240 O LEU A 71 -2.615 -0.547 -3.276 1.00 61.03 O ATOM 1241 CB LEU A 71 -0.771 -2.432 -5.404 1.00 45.51 C ATOM 1242 CG LEU A 71 0.324 -1.600 -4.737 1.00 31.43 C ATOM 1243 CD1 LEU A 71 0.731 -2.204 -3.404 1.00 11.54 C ATOM 1244 CD2 LEU A 71 1.521 -1.478 -5.662 1.00 71.11 C ATOM 0 H LEU A 71 -2.721 -3.548 -6.359 1.00 3.15 H new ATOM 0 HA LEU A 71 -2.052 -2.940 -3.745 1.00 61.51 H new ATOM 0 HB2 LEU A 71 -0.427 -3.464 -5.474 1.00 45.51 H new ATOM 0 HB3 LEU A 71 -0.907 -2.071 -6.424 1.00 45.51 H new ATOM 0 HG LEU A 71 -0.070 -0.603 -4.542 1.00 31.43 H new ATOM 0 HD11 LEU A 71 1.511 -1.593 -2.951 1.00 11.54 H new ATOM 0 HD12 LEU A 71 -0.134 -2.239 -2.741 1.00 11.54 H new ATOM 0 HD13 LEU A 71 1.108 -3.214 -3.562 1.00 11.54 H new ATOM 0 HD21 LEU A 71 2.296 -0.883 -5.178 1.00 71.11 H new ATOM 0 HD22 LEU A 71 1.912 -2.471 -5.885 1.00 71.11 H new ATOM 0 HD23 LEU A 71 1.217 -0.992 -6.589 1.00 71.11 H new ATOM 1256 N ASN A 72 -2.889 -0.263 -5.494 1.00 23.45 N ATOM 1257 CA ASN A 72 -3.297 1.134 -5.390 1.00 11.35 C ATOM 1258 C ASN A 72 -4.572 1.269 -4.562 1.00 30.24 C ATOM 1259 O ASN A 72 -4.719 2.207 -3.777 1.00 73.42 O ATOM 1260 CB ASN A 72 -3.505 1.730 -6.787 1.00 14.22 C ATOM 1261 CG ASN A 72 -3.870 3.203 -6.749 1.00 44.44 C ATOM 1262 OD1 ASN A 72 -2.997 4.070 -6.692 1.00 15.44 O ATOM 1263 ND2 ASN A 72 -5.160 3.501 -6.805 1.00 1.21 N ATOM 0 H ASN A 72 -2.880 -0.627 -6.447 1.00 23.45 H new ATOM 0 HA ASN A 72 -2.504 1.685 -4.885 1.00 11.35 H new ATOM 0 HB2 ASN A 72 -2.594 1.601 -7.372 1.00 14.22 H new ATOM 0 HB3 ASN A 72 -4.293 1.178 -7.299 1.00 14.22 H new ATOM 0 HD21 ASN A 72 -5.459 4.476 -6.802 1.00 1.21 H new ATOM 0 HD22 ASN A 72 -5.854 2.755 -6.851 1.00 1.21 H new ATOM 1270 N SER A 73 -5.489 0.319 -4.733 1.00 21.44 N ATOM 1271 CA SER A 73 -6.734 0.311 -3.975 1.00 12.34 C ATOM 1272 C SER A 73 -6.453 0.230 -2.476 1.00 43.02 C ATOM 1273 O SER A 73 -7.027 0.986 -1.688 1.00 64.42 O ATOM 1274 CB SER A 73 -7.624 -0.860 -4.409 1.00 64.33 C ATOM 1275 OG SER A 73 -7.928 -0.791 -5.794 1.00 33.44 O ATOM 0 H SER A 73 -5.391 -0.455 -5.391 1.00 21.44 H new ATOM 0 HA SER A 73 -7.260 1.243 -4.180 1.00 12.34 H new ATOM 0 HB2 SER A 73 -7.121 -1.802 -4.191 1.00 64.33 H new ATOM 0 HB3 SER A 73 -8.548 -0.851 -3.831 1.00 64.33 H new ATOM 0 HG SER A 73 -7.117 -0.965 -6.316 1.00 33.44 H new ATOM 1281 N TYR A 74 -5.551 -0.669 -2.094 1.00 10.33 N ATOM 1282 CA TYR A 74 -5.206 -0.854 -0.690 1.00 40.41 C ATOM 1283 C TYR A 74 -4.561 0.411 -0.131 1.00 61.31 C ATOM 1284 O TYR A 74 -4.910 0.871 0.955 1.00 55.12 O ATOM 1285 CB TYR A 74 -4.241 -2.032 -0.509 1.00 3.31 C ATOM 1286 CG TYR A 74 -4.686 -3.327 -1.157 1.00 3.14 C ATOM 1287 CD1 TYR A 74 -6.022 -3.703 -1.179 1.00 22.43 C ATOM 1288 CD2 TYR A 74 -3.757 -4.172 -1.752 1.00 12.32 C ATOM 1289 CE1 TYR A 74 -6.420 -4.884 -1.774 1.00 64.10 C ATOM 1290 CE2 TYR A 74 -4.147 -5.354 -2.351 1.00 73.43 C ATOM 1291 CZ TYR A 74 -5.481 -5.704 -2.358 1.00 63.34 C ATOM 1292 OH TYR A 74 -5.880 -6.881 -2.950 1.00 41.35 O ATOM 0 H TYR A 74 -5.047 -1.280 -2.737 1.00 10.33 H new ATOM 0 HA TYR A 74 -6.128 -1.066 -0.148 1.00 40.41 H new ATOM 0 HB2 TYR A 74 -3.270 -1.753 -0.918 1.00 3.31 H new ATOM 0 HB3 TYR A 74 -4.100 -2.206 0.558 1.00 3.31 H new ATOM 0 HD1 TYR A 74 -6.762 -3.062 -0.724 1.00 22.43 H new ATOM 0 HD2 TYR A 74 -2.712 -3.900 -1.746 1.00 12.32 H new ATOM 0 HE1 TYR A 74 -7.463 -5.163 -1.781 1.00 64.10 H new ATOM 0 HE2 TYR A 74 -3.413 -5.999 -2.810 1.00 73.43 H new ATOM 0 HH TYR A 74 -5.157 -7.224 -3.515 1.00 41.35 H new ATOM 1302 N ILE A 75 -3.622 0.968 -0.887 1.00 64.44 N ATOM 1303 CA ILE A 75 -2.903 2.165 -0.469 1.00 40.20 C ATOM 1304 C ILE A 75 -3.856 3.358 -0.342 1.00 51.33 C ATOM 1305 O ILE A 75 -3.751 4.152 0.598 1.00 4.32 O ATOM 1306 CB ILE A 75 -1.762 2.499 -1.454 1.00 24.11 C ATOM 1307 CG1 ILE A 75 -0.785 1.322 -1.546 1.00 13.22 C ATOM 1308 CG2 ILE A 75 -1.034 3.762 -1.022 1.00 64.40 C ATOM 1309 CD1 ILE A 75 0.357 1.546 -2.513 1.00 74.01 C ATOM 0 H ILE A 75 -3.340 0.607 -1.798 1.00 64.44 H new ATOM 0 HA ILE A 75 -2.466 1.963 0.509 1.00 40.20 H new ATOM 0 HB ILE A 75 -2.193 2.675 -2.439 1.00 24.11 H new ATOM 0 HG12 ILE A 75 -0.376 1.124 -0.555 1.00 13.22 H new ATOM 0 HG13 ILE A 75 -1.334 0.430 -1.848 1.00 13.22 H new ATOM 0 HG21 ILE A 75 -0.234 3.980 -1.729 1.00 64.40 H new ATOM 0 HG22 ILE A 75 -1.735 4.596 -0.999 1.00 64.40 H new ATOM 0 HG23 ILE A 75 -0.611 3.616 -0.028 1.00 64.40 H new ATOM 0 HD11 ILE A 75 1.004 0.669 -2.521 1.00 74.01 H new ATOM 0 HD12 ILE A 75 -0.041 1.713 -3.514 1.00 74.01 H new ATOM 0 HD13 ILE A 75 0.932 2.418 -2.201 1.00 74.01 H new ATOM 1321 N ARG A 76 -4.791 3.466 -1.281 1.00 12.21 N ATOM 1322 CA ARG A 76 -5.817 4.501 -1.234 1.00 71.42 C ATOM 1323 C ARG A 76 -6.592 4.415 0.077 1.00 64.25 C ATOM 1324 O ARG A 76 -6.751 5.410 0.786 1.00 2.24 O ATOM 1325 CB ARG A 76 -6.792 4.340 -2.403 1.00 62.14 C ATOM 1326 CG ARG A 76 -7.890 5.392 -2.431 1.00 75.04 C ATOM 1327 CD ARG A 76 -7.472 6.622 -3.218 1.00 4.11 C ATOM 1328 NE ARG A 76 -7.509 6.384 -4.660 1.00 20.33 N ATOM 1329 CZ ARG A 76 -7.178 7.293 -5.579 1.00 50.33 C ATOM 1330 NH1 ARG A 76 -6.721 8.485 -5.214 1.00 65.13 N ATOM 1331 NH2 ARG A 76 -7.292 7.007 -6.868 1.00 52.13 N ATOM 0 H ARG A 76 -4.859 2.845 -2.088 1.00 12.21 H new ATOM 0 HA ARG A 76 -5.325 5.471 -1.305 1.00 71.42 H new ATOM 0 HB2 ARG A 76 -6.234 4.384 -3.339 1.00 62.14 H new ATOM 0 HB3 ARG A 76 -7.249 3.352 -2.350 1.00 62.14 H new ATOM 0 HG2 ARG A 76 -8.790 4.966 -2.873 1.00 75.04 H new ATOM 0 HG3 ARG A 76 -8.142 5.681 -1.411 1.00 75.04 H new ATOM 0 HD2 ARG A 76 -8.132 7.453 -2.970 1.00 4.11 H new ATOM 0 HD3 ARG A 76 -6.464 6.916 -2.924 1.00 4.11 H new ATOM 0 HE ARG A 76 -7.807 5.464 -4.984 1.00 20.33 H new ATOM 0 HH11 ARG A 76 -6.621 8.712 -4.225 1.00 65.13 H new ATOM 0 HH12 ARG A 76 -6.470 9.174 -5.923 1.00 65.13 H new ATOM 0 HH21 ARG A 76 -7.633 6.091 -7.159 1.00 52.13 H new ATOM 0 HH22 ARG A 76 -7.039 7.703 -7.569 1.00 52.13 H new ATOM 1345 N ASN A 77 -7.053 3.210 0.391 1.00 53.04 N ATOM 1346 CA ASN A 77 -7.852 2.966 1.587 1.00 11.12 C ATOM 1347 C ASN A 77 -7.044 3.226 2.852 1.00 65.24 C ATOM 1348 O ASN A 77 -7.570 3.740 3.838 1.00 4.31 O ATOM 1349 CB ASN A 77 -8.380 1.528 1.585 1.00 21.42 C ATOM 1350 CG ASN A 77 -9.490 1.304 0.572 1.00 23.24 C ATOM 1351 OD1 ASN A 77 -10.371 2.282 0.416 1.00 1.25 O flip ATOM 1352 ND2 ASN A 77 -9.574 0.244 -0.046 1.00 12.12 N flip ATOM 0 H ASN A 77 -6.885 2.377 -0.173 1.00 53.04 H new ATOM 0 HA ASN A 77 -8.695 3.657 1.576 1.00 11.12 H new ATOM 0 HB2 ASN A 77 -7.558 0.845 1.371 1.00 21.42 H new ATOM 0 HB3 ASN A 77 -8.749 1.281 2.580 1.00 21.42 H new ATOM 0 HD21 ASN A 77 -8.878 -0.487 0.099 1.00 12.12 H new ATOM 0 HD22 ASN A 77 -10.340 0.096 -0.703 1.00 12.12 H new ATOM 1359 N ALA A 78 -5.764 2.874 2.816 1.00 71.14 N ATOM 1360 CA ALA A 78 -4.883 3.074 3.959 1.00 43.45 C ATOM 1361 C ALA A 78 -4.735 4.554 4.291 1.00 22.21 C ATOM 1362 O ALA A 78 -4.954 4.969 5.432 1.00 0.33 O ATOM 1363 CB ALA A 78 -3.522 2.452 3.692 1.00 41.14 C ATOM 0 H ALA A 78 -5.313 2.448 2.006 1.00 71.14 H new ATOM 0 HA ALA A 78 -5.333 2.581 4.821 1.00 43.45 H new ATOM 0 HB1 ALA A 78 -2.875 2.609 4.555 1.00 41.14 H new ATOM 0 HB2 ALA A 78 -3.639 1.383 3.516 1.00 41.14 H new ATOM 0 HB3 ALA A 78 -3.075 2.917 2.813 1.00 41.14 H new ATOM 1369 N PHE A 79 -4.369 5.348 3.288 1.00 33.53 N ATOM 1370 CA PHE A 79 -4.195 6.783 3.479 1.00 62.10 C ATOM 1371 C PHE A 79 -5.516 7.457 3.826 1.00 33.20 C ATOM 1372 O PHE A 79 -5.567 8.316 4.707 1.00 74.31 O ATOM 1373 CB PHE A 79 -3.591 7.434 2.232 1.00 53.53 C ATOM 1374 CG PHE A 79 -2.102 7.272 2.125 1.00 71.30 C ATOM 1375 CD1 PHE A 79 -1.264 7.853 3.062 1.00 24.40 C ATOM 1376 CD2 PHE A 79 -1.539 6.552 1.086 1.00 21.41 C ATOM 1377 CE1 PHE A 79 0.106 7.714 2.967 1.00 64.54 C ATOM 1378 CE2 PHE A 79 -0.168 6.411 0.986 1.00 70.41 C ATOM 1379 CZ PHE A 79 0.656 6.993 1.928 1.00 35.10 C ATOM 0 H PHE A 79 -4.188 5.022 2.338 1.00 33.53 H new ATOM 0 HA PHE A 79 -3.507 6.918 4.313 1.00 62.10 H new ATOM 0 HB2 PHE A 79 -4.059 7.004 1.346 1.00 53.53 H new ATOM 0 HB3 PHE A 79 -3.832 8.497 2.235 1.00 53.53 H new ATOM 0 HD1 PHE A 79 -1.687 8.422 3.877 1.00 24.40 H new ATOM 0 HD2 PHE A 79 -2.178 6.095 0.345 1.00 21.41 H new ATOM 0 HE1 PHE A 79 0.747 8.170 3.707 1.00 64.54 H new ATOM 0 HE2 PHE A 79 0.259 5.845 0.171 1.00 70.41 H new ATOM 0 HZ PHE A 79 1.728 6.884 1.852 1.00 35.10 H new ATOM 1389 N ASP A 80 -6.586 7.055 3.148 1.00 13.34 N ATOM 1390 CA ASP A 80 -7.895 7.653 3.379 1.00 42.30 C ATOM 1391 C ASP A 80 -8.358 7.408 4.808 1.00 73.24 C ATOM 1392 O ASP A 80 -8.885 8.308 5.459 1.00 73.21 O ATOM 1393 CB ASP A 80 -8.928 7.109 2.390 1.00 13.43 C ATOM 1394 CG ASP A 80 -10.302 7.724 2.588 1.00 72.34 C ATOM 1395 OD1 ASP A 80 -10.434 8.958 2.446 1.00 4.42 O ATOM 1396 OD2 ASP A 80 -11.258 6.978 2.892 1.00 75.42 O ATOM 0 H ASP A 80 -6.573 6.322 2.439 1.00 13.34 H new ATOM 0 HA ASP A 80 -7.801 8.728 3.224 1.00 42.30 H new ATOM 0 HB2 ASP A 80 -8.590 7.304 1.372 1.00 13.43 H new ATOM 0 HB3 ASP A 80 -8.998 6.027 2.501 1.00 13.43 H new ATOM 1401 N ASP A 81 -8.142 6.199 5.309 1.00 21.21 N ATOM 1402 CA ASP A 81 -8.511 5.866 6.680 1.00 1.44 C ATOM 1403 C ASP A 81 -7.796 6.795 7.655 1.00 20.33 C ATOM 1404 O ASP A 81 -8.396 7.301 8.604 1.00 1.01 O ATOM 1405 CB ASP A 81 -8.159 4.409 6.992 1.00 14.31 C ATOM 1406 CG ASP A 81 -8.776 3.927 8.289 1.00 32.34 C ATOM 1407 OD1 ASP A 81 -9.914 3.404 8.246 1.00 0.13 O ATOM 1408 OD2 ASP A 81 -8.136 4.060 9.351 1.00 54.23 O ATOM 0 H ASP A 81 -7.714 5.433 4.788 1.00 21.21 H new ATOM 0 HA ASP A 81 -9.588 5.995 6.790 1.00 1.44 H new ATOM 0 HB2 ASP A 81 -8.498 3.774 6.174 1.00 14.31 H new ATOM 0 HB3 ASP A 81 -7.075 4.305 7.048 1.00 14.31 H new ATOM 1413 N ALA A 82 -6.519 7.045 7.386 1.00 52.03 N ATOM 1414 CA ALA A 82 -5.721 7.932 8.219 1.00 33.15 C ATOM 1415 C ALA A 82 -6.189 9.382 8.096 1.00 24.14 C ATOM 1416 O ALA A 82 -6.247 10.110 9.089 1.00 65.33 O ATOM 1417 CB ALA A 82 -4.252 7.819 7.849 1.00 4.51 C ATOM 0 H ALA A 82 -6.015 6.644 6.595 1.00 52.03 H new ATOM 0 HA ALA A 82 -5.851 7.626 9.257 1.00 33.15 H new ATOM 0 HB1 ALA A 82 -3.666 8.488 8.479 1.00 4.51 H new ATOM 0 HB2 ALA A 82 -3.917 6.793 7.998 1.00 4.51 H new ATOM 0 HB3 ALA A 82 -4.118 8.096 6.803 1.00 4.51 H new ATOM 1423 N ILE A 83 -6.524 9.802 6.880 1.00 51.43 N ATOM 1424 CA ILE A 83 -6.962 11.173 6.643 1.00 3.23 C ATOM 1425 C ILE A 83 -8.327 11.418 7.280 1.00 13.51 C ATOM 1426 O ILE A 83 -8.635 12.540 7.678 1.00 32.11 O ATOM 1427 CB ILE A 83 -6.968 11.559 5.141 1.00 34.25 C ATOM 1428 CG1 ILE A 83 -6.927 13.083 4.992 1.00 42.54 C ATOM 1429 CG2 ILE A 83 -8.178 10.993 4.417 1.00 54.11 C ATOM 1430 CD1 ILE A 83 -6.796 13.553 3.558 1.00 52.31 C ATOM 0 H ILE A 83 -6.501 9.215 6.046 1.00 51.43 H new ATOM 0 HA ILE A 83 -6.229 11.824 7.120 1.00 3.23 H new ATOM 0 HB ILE A 83 -6.079 11.125 4.683 1.00 34.25 H new ATOM 0 HG12 ILE A 83 -7.835 13.505 5.422 1.00 42.54 H new ATOM 0 HG13 ILE A 83 -6.090 13.473 5.570 1.00 42.54 H new ATOM 0 HG21 ILE A 83 -8.144 11.286 3.368 1.00 54.11 H new ATOM 0 HG22 ILE A 83 -8.170 9.905 4.490 1.00 54.11 H new ATOM 0 HG23 ILE A 83 -9.089 11.381 4.873 1.00 54.11 H new ATOM 0 HD11 ILE A 83 -6.774 14.642 3.533 1.00 52.31 H new ATOM 0 HD12 ILE A 83 -5.874 13.161 3.129 1.00 52.31 H new ATOM 0 HD13 ILE A 83 -7.646 13.194 2.978 1.00 52.31 H new ATOM 1442 N HIS A 84 -9.144 10.363 7.379 1.00 0.34 N ATOM 1443 CA HIS A 84 -10.422 10.448 8.092 1.00 25.24 C ATOM 1444 C HIS A 84 -10.204 10.948 9.517 1.00 24.03 C ATOM 1445 O HIS A 84 -11.053 11.633 10.083 1.00 10.45 O ATOM 1446 CB HIS A 84 -11.132 9.088 8.142 1.00 64.23 C ATOM 1447 CG HIS A 84 -11.902 8.738 6.907 1.00 1.31 C ATOM 1448 ND1 HIS A 84 -13.084 9.342 6.550 1.00 74.22 N ATOM 1449 CD2 HIS A 84 -11.648 7.826 5.950 1.00 42.41 C ATOM 1450 CE1 HIS A 84 -13.522 8.812 5.424 1.00 62.02 C ATOM 1451 NE2 HIS A 84 -12.665 7.887 5.036 1.00 41.44 N ATOM 0 H HIS A 84 -8.944 9.447 6.977 1.00 0.34 H new ATOM 0 HA HIS A 84 -11.051 11.150 7.545 1.00 25.24 H new ATOM 0 HB2 HIS A 84 -10.388 8.312 8.322 1.00 64.23 H new ATOM 0 HB3 HIS A 84 -11.813 9.080 8.993 1.00 64.23 H new ATOM 0 HD2 HIS A 84 -10.795 7.165 5.910 1.00 42.41 H new ATOM 0 HE1 HIS A 84 -14.429 9.089 4.907 1.00 62.02 H new ATOM 0 HE2 HIS A 84 -12.747 7.314 4.196 1.00 41.44 H new ATOM 1460 N GLU A 85 -9.055 10.607 10.089 1.00 21.30 N ATOM 1461 CA GLU A 85 -8.721 11.030 11.445 1.00 63.31 C ATOM 1462 C GLU A 85 -7.872 12.297 11.420 1.00 12.52 C ATOM 1463 O GLU A 85 -7.649 12.928 12.452 1.00 14.33 O ATOM 1464 CB GLU A 85 -7.960 9.925 12.182 1.00 33.15 C ATOM 1465 CG GLU A 85 -8.755 8.645 12.368 1.00 62.32 C ATOM 1466 CD GLU A 85 -8.015 7.627 13.211 1.00 43.43 C ATOM 1467 OE1 GLU A 85 -8.135 7.678 14.453 1.00 23.24 O ATOM 1468 OE2 GLU A 85 -7.313 6.771 12.638 1.00 3.35 O ATOM 0 H GLU A 85 -8.339 10.039 9.636 1.00 21.30 H new ATOM 0 HA GLU A 85 -9.654 11.235 11.970 1.00 63.31 H new ATOM 0 HB2 GLU A 85 -7.048 9.697 11.631 1.00 33.15 H new ATOM 0 HB3 GLU A 85 -7.657 10.297 13.160 1.00 33.15 H new ATOM 0 HG2 GLU A 85 -9.710 8.878 12.839 1.00 62.32 H new ATOM 0 HG3 GLU A 85 -8.978 8.213 11.392 1.00 62.32 H new ATOM 1475 N GLY A 86 -7.393 12.657 10.238 1.00 10.30 N ATOM 1476 CA GLY A 86 -6.507 13.795 10.112 1.00 30.11 C ATOM 1477 C GLY A 86 -5.090 13.423 10.480 1.00 63.43 C ATOM 1478 O GLY A 86 -4.228 14.286 10.649 1.00 61.00 O ATOM 0 H GLY A 86 -7.603 12.179 9.362 1.00 10.30 H new ATOM 0 HA2 GLY A 86 -6.534 14.170 9.089 1.00 30.11 H new ATOM 0 HA3 GLY A 86 -6.853 14.603 10.756 1.00 30.11 H new ATOM 1482 N TYR A 87 -4.857 12.120 10.584 1.00 13.23 N ATOM 1483 CA TYR A 87 -3.574 11.581 11.008 1.00 32.01 C ATOM 1484 C TYR A 87 -2.519 11.785 9.925 1.00 2.10 C ATOM 1485 O TYR A 87 -1.325 11.895 10.210 1.00 40.14 O ATOM 1486 CB TYR A 87 -3.744 10.092 11.338 1.00 31.42 C ATOM 1487 CG TYR A 87 -2.487 9.397 11.801 1.00 64.11 C ATOM 1488 CD1 TYR A 87 -1.959 9.636 13.061 1.00 1.33 C ATOM 1489 CD2 TYR A 87 -1.839 8.487 10.980 1.00 42.20 C ATOM 1490 CE1 TYR A 87 -0.815 8.989 13.488 1.00 41.02 C ATOM 1491 CE2 TYR A 87 -0.695 7.836 11.398 1.00 43.21 C ATOM 1492 CZ TYR A 87 -0.187 8.090 12.652 1.00 32.13 C ATOM 1493 OH TYR A 87 0.953 7.444 13.071 1.00 13.04 O ATOM 0 H TYR A 87 -5.556 11.407 10.376 1.00 13.23 H new ATOM 0 HA TYR A 87 -3.233 12.109 11.899 1.00 32.01 H new ATOM 0 HB2 TYR A 87 -4.504 9.991 12.113 1.00 31.42 H new ATOM 0 HB3 TYR A 87 -4.121 9.579 10.453 1.00 31.42 H new ATOM 0 HD1 TYR A 87 -2.449 10.339 13.719 1.00 1.33 H new ATOM 0 HD2 TYR A 87 -2.236 8.284 9.996 1.00 42.20 H new ATOM 0 HE1 TYR A 87 -0.415 9.186 14.471 1.00 41.02 H new ATOM 0 HE2 TYR A 87 -0.202 7.132 10.745 1.00 43.21 H new ATOM 0 HH TYR A 87 1.691 7.656 12.462 1.00 13.04 H new ATOM 1503 N VAL A 88 -2.971 11.846 8.682 1.00 32.35 N ATOM 1504 CA VAL A 88 -2.085 12.092 7.561 1.00 61.02 C ATOM 1505 C VAL A 88 -2.544 13.341 6.809 1.00 43.11 C ATOM 1506 O VAL A 88 -3.690 13.774 6.959 1.00 54.24 O ATOM 1507 CB VAL A 88 -2.032 10.874 6.605 1.00 53.30 C ATOM 1508 CG1 VAL A 88 -3.333 10.721 5.831 1.00 54.50 C ATOM 1509 CG2 VAL A 88 -0.846 10.970 5.654 1.00 3.25 C ATOM 0 H VAL A 88 -3.951 11.728 8.426 1.00 32.35 H new ATOM 0 HA VAL A 88 -1.078 12.251 7.947 1.00 61.02 H new ATOM 0 HB VAL A 88 -1.900 9.983 7.219 1.00 53.30 H new ATOM 0 HG11 VAL A 88 -3.263 9.858 5.169 1.00 54.50 H new ATOM 0 HG12 VAL A 88 -4.157 10.577 6.530 1.00 54.50 H new ATOM 0 HG13 VAL A 88 -3.512 11.618 5.239 1.00 54.50 H new ATOM 0 HG21 VAL A 88 -0.836 10.101 4.996 1.00 3.25 H new ATOM 0 HG22 VAL A 88 -0.932 11.877 5.056 1.00 3.25 H new ATOM 0 HG23 VAL A 88 0.080 11.001 6.229 1.00 3.25 H new ATOM 1519 N ILE A 89 -1.641 13.937 6.043 1.00 63.23 N ATOM 1520 CA ILE A 89 -1.976 15.091 5.214 1.00 34.01 C ATOM 1521 C ILE A 89 -2.743 14.660 3.967 1.00 25.33 C ATOM 1522 O ILE A 89 -3.264 13.548 3.902 1.00 30.03 O ATOM 1523 CB ILE A 89 -0.709 15.861 4.776 1.00 52.04 C ATOM 1524 CG1 ILE A 89 0.331 14.899 4.185 1.00 72.42 C ATOM 1525 CG2 ILE A 89 -0.130 16.641 5.947 1.00 74.22 C ATOM 1526 CD1 ILE A 89 1.566 15.588 3.645 1.00 63.23 C ATOM 0 H ILE A 89 -0.667 13.641 5.977 1.00 63.23 H new ATOM 0 HA ILE A 89 -2.599 15.747 5.822 1.00 34.01 H new ATOM 0 HB ILE A 89 -0.986 16.573 3.999 1.00 52.04 H new ATOM 0 HG12 ILE A 89 0.631 14.187 4.954 1.00 72.42 H new ATOM 0 HG13 ILE A 89 -0.133 14.326 3.383 1.00 72.42 H new ATOM 0 HG21 ILE A 89 0.761 17.177 5.622 1.00 74.22 H new ATOM 0 HG22 ILE A 89 -0.870 17.354 6.311 1.00 74.22 H new ATOM 0 HG23 ILE A 89 0.134 15.951 6.749 1.00 74.22 H new ATOM 0 HD11 ILE A 89 2.253 14.842 3.245 1.00 63.23 H new ATOM 0 HD12 ILE A 89 1.280 16.280 2.853 1.00 63.23 H new ATOM 0 HD13 ILE A 89 2.056 16.139 4.448 1.00 63.23 H new ATOM 1538 N LYS A 90 -2.817 15.554 2.991 1.00 12.12 N ATOM 1539 CA LYS A 90 -3.453 15.248 1.717 1.00 74.41 C ATOM 1540 C LYS A 90 -2.844 13.989 1.109 1.00 22.25 C ATOM 1541 O LYS A 90 -1.629 13.905 0.920 1.00 13.34 O ATOM 1542 CB LYS A 90 -3.315 16.435 0.765 1.00 42.44 C ATOM 1543 CG LYS A 90 -4.111 17.649 1.210 1.00 42.11 C ATOM 1544 CD LYS A 90 -5.610 17.397 1.085 1.00 40.25 C ATOM 1545 CE LYS A 90 -6.422 18.598 1.540 1.00 10.13 C ATOM 1546 NZ LYS A 90 -7.872 18.438 1.243 1.00 44.13 N ATOM 0 H LYS A 90 -2.443 16.501 3.058 1.00 12.12 H new ATOM 0 HA LYS A 90 -4.514 15.063 1.885 1.00 74.41 H new ATOM 0 HB2 LYS A 90 -2.263 16.708 0.683 1.00 42.44 H new ATOM 0 HB3 LYS A 90 -3.645 16.136 -0.230 1.00 42.44 H new ATOM 0 HG2 LYS A 90 -3.864 17.891 2.244 1.00 42.11 H new ATOM 0 HG3 LYS A 90 -3.832 18.512 0.606 1.00 42.11 H new ATOM 0 HD2 LYS A 90 -5.855 17.164 0.049 1.00 40.25 H new ATOM 0 HD3 LYS A 90 -5.883 16.526 1.681 1.00 40.25 H new ATOM 0 HE2 LYS A 90 -6.286 18.742 2.612 1.00 10.13 H new ATOM 0 HE3 LYS A 90 -6.048 19.496 1.047 1.00 10.13 H new ATOM 0 HZ1 LYS A 90 -8.388 19.280 1.570 1.00 44.13 H new ATOM 0 HZ2 LYS A 90 -8.006 18.326 0.218 1.00 44.13 H new ATOM 0 HZ3 LYS A 90 -8.236 17.596 1.734 1.00 44.13 H new ATOM 1560 N ASN A 91 -3.710 13.021 0.825 1.00 61.01 N ATOM 1561 CA ASN A 91 -3.302 11.692 0.375 1.00 44.35 C ATOM 1562 C ASN A 91 -2.311 11.748 -0.789 1.00 44.02 C ATOM 1563 O ASN A 91 -2.568 12.389 -1.810 1.00 2.21 O ATOM 1564 CB ASN A 91 -4.534 10.877 -0.030 1.00 41.15 C ATOM 1565 CG ASN A 91 -5.406 10.510 1.155 1.00 52.42 C ATOM 1566 OD1 ASN A 91 -4.912 10.306 2.259 1.00 32.21 O ATOM 1567 ND2 ASN A 91 -6.710 10.431 0.937 1.00 5.34 N ATOM 0 H ASN A 91 -4.721 13.136 0.901 1.00 61.01 H new ATOM 0 HA ASN A 91 -2.795 11.210 1.210 1.00 44.35 H new ATOM 0 HB2 ASN A 91 -5.123 11.449 -0.747 1.00 41.15 H new ATOM 0 HB3 ASN A 91 -4.213 9.966 -0.536 1.00 41.15 H new ATOM 0 HD21 ASN A 91 -7.341 10.193 1.702 1.00 5.34 H new ATOM 0 HD22 ASN A 91 -7.083 10.608 0.004 1.00 5.34 H new ATOM 1574 N PRO A 92 -1.159 11.064 -0.636 1.00 41.15 N ATOM 1575 CA PRO A 92 -0.116 10.979 -1.673 1.00 11.42 C ATOM 1576 C PRO A 92 -0.614 10.340 -2.966 1.00 72.43 C ATOM 1577 O PRO A 92 0.073 10.369 -3.986 1.00 12.33 O ATOM 1578 CB PRO A 92 0.967 10.105 -1.032 1.00 12.21 C ATOM 1579 CG PRO A 92 0.721 10.210 0.431 1.00 41.42 C ATOM 1580 CD PRO A 92 -0.765 10.352 0.588 1.00 1.31 C ATOM 0 HA PRO A 92 0.232 11.970 -1.965 1.00 11.42 H new ATOM 0 HB2 PRO A 92 0.895 9.072 -1.372 1.00 12.21 H new ATOM 0 HB3 PRO A 92 1.965 10.457 -1.292 1.00 12.21 H new ATOM 0 HG2 PRO A 92 1.086 9.326 0.953 1.00 41.42 H new ATOM 0 HG3 PRO A 92 1.243 11.068 0.854 1.00 41.42 H new ATOM 0 HD2 PRO A 92 -1.257 9.383 0.667 1.00 1.31 H new ATOM 0 HD3 PRO A 92 -1.024 10.916 1.484 1.00 1.31 H new ATOM 1588 N THR A 93 -1.822 9.788 -2.927 1.00 61.44 N ATOM 1589 CA THR A 93 -2.458 9.250 -4.119 1.00 54.04 C ATOM 1590 C THR A 93 -2.918 10.386 -5.040 1.00 11.22 C ATOM 1591 O THR A 93 -3.577 10.157 -6.053 1.00 51.22 O ATOM 1592 CB THR A 93 -3.652 8.341 -3.758 1.00 32.22 C ATOM 1593 OG1 THR A 93 -4.472 8.964 -2.759 1.00 13.32 O ATOM 1594 CG2 THR A 93 -3.171 6.994 -3.247 1.00 11.01 C ATOM 0 H THR A 93 -2.380 9.702 -2.078 1.00 61.44 H new ATOM 0 HA THR A 93 -1.720 8.644 -4.644 1.00 54.04 H new ATOM 0 HB THR A 93 -4.240 8.187 -4.663 1.00 32.22 H new ATOM 0 HG1 THR A 93 -4.898 8.274 -2.209 1.00 13.32 H new ATOM 0 HG21 THR A 93 -4.030 6.371 -2.999 1.00 11.01 H new ATOM 0 HG22 THR A 93 -2.577 6.503 -4.018 1.00 11.01 H new ATOM 0 HG23 THR A 93 -2.560 7.140 -2.356 1.00 11.01 H new ATOM 1602 N TYR A 94 -2.563 11.611 -4.647 1.00 53.34 N ATOM 1603 CA TYR A 94 -2.761 12.811 -5.453 1.00 10.41 C ATOM 1604 C TYR A 94 -2.193 12.614 -6.858 1.00 13.41 C ATOM 1605 O TYR A 94 -2.741 13.120 -7.839 1.00 20.14 O ATOM 1606 CB TYR A 94 -2.057 13.983 -4.758 1.00 1.03 C ATOM 1607 CG TYR A 94 -2.287 15.341 -5.386 1.00 14.32 C ATOM 1608 CD1 TYR A 94 -3.348 16.135 -4.981 1.00 70.35 C ATOM 1609 CD2 TYR A 94 -1.428 15.840 -6.360 1.00 54.42 C ATOM 1610 CE1 TYR A 94 -3.553 17.385 -5.530 1.00 41.20 C ATOM 1611 CE2 TYR A 94 -1.624 17.093 -6.910 1.00 74.13 C ATOM 1612 CZ TYR A 94 -2.689 17.860 -6.492 1.00 33.21 C ATOM 1613 OH TYR A 94 -2.888 19.110 -7.028 1.00 4.54 O ATOM 0 H TYR A 94 -2.123 11.797 -3.746 1.00 53.34 H new ATOM 0 HA TYR A 94 -3.827 13.017 -5.548 1.00 10.41 H new ATOM 0 HB2 TYR A 94 -2.388 14.020 -3.720 1.00 1.03 H new ATOM 0 HB3 TYR A 94 -0.985 13.785 -4.744 1.00 1.03 H new ATOM 0 HD1 TYR A 94 -4.026 15.770 -4.223 1.00 70.35 H new ATOM 0 HD2 TYR A 94 -0.595 15.239 -6.692 1.00 54.42 H new ATOM 0 HE1 TYR A 94 -4.388 17.989 -5.206 1.00 41.20 H new ATOM 0 HE2 TYR A 94 -0.946 17.468 -7.663 1.00 74.13 H new ATOM 0 HH TYR A 94 -2.192 19.296 -7.692 1.00 4.54 H new ATOM 1623 N LYS A 95 -1.087 11.886 -6.939 1.00 14.32 N ATOM 1624 CA LYS A 95 -0.483 11.537 -8.216 1.00 60.12 C ATOM 1625 C LYS A 95 -0.370 10.024 -8.334 1.00 64.00 C ATOM 1626 O LYS A 95 0.639 9.434 -7.950 1.00 42.31 O ATOM 1627 CB LYS A 95 0.898 12.187 -8.371 1.00 52.34 C ATOM 1628 CG LYS A 95 0.855 13.703 -8.478 1.00 74.15 C ATOM 1629 CD LYS A 95 0.036 14.156 -9.675 1.00 2.23 C ATOM 1630 CE LYS A 95 0.053 15.668 -9.819 1.00 3.51 C ATOM 1631 NZ LYS A 95 -0.847 16.131 -10.908 1.00 43.12 N ATOM 0 H LYS A 95 -0.587 11.524 -6.127 1.00 14.32 H new ATOM 0 HA LYS A 95 -1.122 11.915 -9.014 1.00 60.12 H new ATOM 0 HB2 LYS A 95 1.517 11.910 -7.518 1.00 52.34 H new ATOM 0 HB3 LYS A 95 1.381 11.783 -9.260 1.00 52.34 H new ATOM 0 HG2 LYS A 95 0.429 14.121 -7.566 1.00 74.15 H new ATOM 0 HG3 LYS A 95 1.870 14.091 -8.563 1.00 74.15 H new ATOM 0 HD2 LYS A 95 0.431 13.698 -10.582 1.00 2.23 H new ATOM 0 HD3 LYS A 95 -0.992 13.811 -9.566 1.00 2.23 H new ATOM 0 HE2 LYS A 95 -0.251 16.126 -8.878 1.00 3.51 H new ATOM 0 HE3 LYS A 95 1.070 16.002 -10.022 1.00 3.51 H new ATOM 0 HZ1 LYS A 95 -0.807 17.168 -10.974 1.00 43.12 H new ATOM 0 HZ2 LYS A 95 -0.542 15.715 -11.811 1.00 43.12 H new ATOM 0 HZ3 LYS A 95 -1.822 15.835 -10.702 1.00 43.12 H new ATOM 1645 N ALA A 96 -1.424 9.401 -8.838 1.00 20.04 N ATOM 1646 CA ALA A 96 -1.466 7.952 -8.945 1.00 22.31 C ATOM 1647 C ALA A 96 -1.805 7.512 -10.363 1.00 23.04 C ATOM 1648 O ALA A 96 -2.971 7.311 -10.711 1.00 43.34 O ATOM 1649 CB ALA A 96 -2.464 7.370 -7.954 1.00 71.43 C ATOM 0 H ALA A 96 -2.260 9.876 -9.179 1.00 20.04 H new ATOM 0 HA ALA A 96 -0.473 7.572 -8.704 1.00 22.31 H new ATOM 0 HB1 ALA A 96 -2.481 6.284 -8.050 1.00 71.43 H new ATOM 0 HB2 ALA A 96 -2.170 7.640 -6.940 1.00 71.43 H new ATOM 0 HB3 ALA A 96 -3.457 7.768 -8.162 1.00 71.43 H new ATOM 1655 N GLU A 97 -0.780 7.392 -11.190 1.00 25.33 N ATOM 1656 CA GLU A 97 -0.955 6.907 -12.548 1.00 1.41 C ATOM 1657 C GLU A 97 -0.580 5.437 -12.640 1.00 0.14 C ATOM 1658 O GLU A 97 0.593 5.072 -12.521 1.00 31.21 O ATOM 1659 CB GLU A 97 -0.122 7.727 -13.528 1.00 4.11 C ATOM 1660 CG GLU A 97 -0.561 9.177 -13.630 1.00 53.42 C ATOM 1661 CD GLU A 97 0.284 9.973 -14.599 1.00 42.50 C ATOM 1662 OE1 GLU A 97 0.165 9.746 -15.821 1.00 44.10 O ATOM 1663 OE2 GLU A 97 1.078 10.823 -14.147 1.00 21.45 O ATOM 0 H GLU A 97 0.182 7.624 -10.944 1.00 25.33 H new ATOM 0 HA GLU A 97 -2.006 7.017 -12.815 1.00 1.41 H new ATOM 0 HB2 GLU A 97 0.923 7.693 -13.221 1.00 4.11 H new ATOM 0 HB3 GLU A 97 -0.180 7.268 -14.515 1.00 4.11 H new ATOM 0 HG2 GLU A 97 -1.604 9.216 -13.946 1.00 53.42 H new ATOM 0 HG3 GLU A 97 -0.509 9.639 -12.644 1.00 53.42 H new ATOM 1670 N LEU A 98 -1.583 4.598 -12.848 1.00 54.42 N ATOM 1671 CA LEU A 98 -1.375 3.164 -12.953 1.00 53.13 C ATOM 1672 C LEU A 98 -1.023 2.790 -14.384 1.00 4.32 C ATOM 1673 O LEU A 98 -1.850 2.260 -15.129 1.00 51.33 O ATOM 1674 CB LEU A 98 -2.627 2.404 -12.501 1.00 3.42 C ATOM 1675 CG LEU A 98 -3.098 2.717 -11.081 1.00 10.33 C ATOM 1676 CD1 LEU A 98 -4.358 1.930 -10.752 1.00 60.05 C ATOM 1677 CD2 LEU A 98 -2.002 2.411 -10.074 1.00 54.34 C ATOM 0 H LEU A 98 -2.555 4.889 -12.948 1.00 54.42 H new ATOM 0 HA LEU A 98 -0.547 2.885 -12.301 1.00 53.13 H new ATOM 0 HB2 LEU A 98 -3.438 2.627 -13.194 1.00 3.42 H new ATOM 0 HB3 LEU A 98 -2.430 1.334 -12.574 1.00 3.42 H new ATOM 0 HG LEU A 98 -3.330 3.780 -11.023 1.00 10.33 H new ATOM 0 HD11 LEU A 98 -4.679 2.165 -9.737 1.00 60.05 H new ATOM 0 HD12 LEU A 98 -5.148 2.198 -11.454 1.00 60.05 H new ATOM 0 HD13 LEU A 98 -4.151 0.863 -10.829 1.00 60.05 H new ATOM 0 HD21 LEU A 98 -2.357 2.640 -9.069 1.00 54.34 H new ATOM 0 HD22 LEU A 98 -1.738 1.355 -10.133 1.00 54.34 H new ATOM 0 HD23 LEU A 98 -1.124 3.018 -10.296 1.00 54.34 H new ATOM 1689 N HIS A 99 0.197 3.103 -14.780 1.00 33.12 N ATOM 1690 CA HIS A 99 0.645 2.824 -16.129 1.00 4.34 C ATOM 1691 C HIS A 99 1.459 1.537 -16.164 1.00 42.42 C ATOM 1692 O HIS A 99 2.690 1.564 -16.110 1.00 14.45 O ATOM 1693 CB HIS A 99 1.463 3.999 -16.682 1.00 34.23 C ATOM 1694 CG HIS A 99 1.825 3.854 -18.131 1.00 13.42 C ATOM 1695 ND1 HIS A 99 3.007 3.563 -18.725 1.00 64.33 N flip ATOM 1696 CD2 HIS A 99 0.914 3.995 -19.151 1.00 62.31 C flip ATOM 1697 CE1 HIS A 99 2.790 3.532 -20.079 1.00 33.11 C flip ATOM 1698 NE2 HIS A 99 1.516 3.797 -20.307 1.00 31.43 N flip ATOM 0 H HIS A 99 0.894 3.551 -14.185 1.00 33.12 H new ATOM 0 HA HIS A 99 -0.232 2.693 -16.763 1.00 4.34 H new ATOM 0 HB2 HIS A 99 0.895 4.920 -16.549 1.00 34.23 H new ATOM 0 HB3 HIS A 99 2.377 4.101 -16.097 1.00 34.23 H new ATOM 0 HD2 HIS A 99 -0.132 4.231 -19.025 1.00 62.31 H new ATOM 0 HE1 HIS A 99 3.536 3.326 -20.832 1.00 33.11 H new ATOM 0 HE2 HIS A 99 1.072 3.841 -21.224 1.00 31.43 H new ATOM 1707 N ALA A 100 0.757 0.411 -16.221 1.00 31.11 N ATOM 1708 CA ALA A 100 1.400 -0.885 -16.362 1.00 10.00 C ATOM 1709 C ALA A 100 2.061 -0.971 -17.727 1.00 21.40 C ATOM 1710 O ALA A 100 1.408 -1.249 -18.734 1.00 23.00 O ATOM 1711 CB ALA A 100 0.391 -2.011 -16.173 1.00 3.51 C ATOM 0 H ALA A 100 -0.261 0.372 -16.171 1.00 31.11 H new ATOM 0 HA ALA A 100 2.162 -0.994 -15.591 1.00 10.00 H new ATOM 0 HB1 ALA A 100 0.893 -2.972 -16.283 1.00 3.51 H new ATOM 0 HB2 ALA A 100 -0.048 -1.943 -15.178 1.00 3.51 H new ATOM 0 HB3 ALA A 100 -0.395 -1.925 -16.923 1.00 3.51 H new ATOM 1717 N SER A 101 3.360 -0.718 -17.753 1.00 41.32 N ATOM 1718 CA SER A 101 4.087 -0.571 -19.003 1.00 43.14 C ATOM 1719 C SER A 101 4.361 -1.927 -19.645 1.00 61.12 C ATOM 1720 O SER A 101 4.955 -2.012 -20.718 1.00 31.31 O ATOM 1721 CB SER A 101 5.389 0.177 -18.740 1.00 22.21 C ATOM 1722 OG SER A 101 5.150 1.301 -17.907 1.00 60.22 O ATOM 0 H SER A 101 3.935 -0.610 -16.917 1.00 41.32 H new ATOM 0 HA SER A 101 3.477 0.000 -19.702 1.00 43.14 H new ATOM 0 HB2 SER A 101 6.110 -0.489 -18.266 1.00 22.21 H new ATOM 0 HB3 SER A 101 5.827 0.501 -19.684 1.00 22.21 H new ATOM 0 HG SER A 101 4.472 1.875 -18.319 1.00 60.22 H new