USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 955 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 79 CYS SG : rot 130:sc= -3.09! USER MOD Set 1.2: A 83 MET CE :methyl 148:sc= -0.207 (180deg=-1.51) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.659 K(o=-0.55,f=-2.2!) USER MOD Set 2.2: A 56 TYR OH : rot -45:sc= 0.11 USER MOD Set 3.1: A 28 ASN : amide:sc= -0.0442 K(o=-0.94,f=-1.9) USER MOD Set 3.2: A 29 THR OG1 : rot -160:sc= -0.892 USER MOD Set 3.3: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 15 SER OG : rot 165:sc= 0.422 USER MOD Set 4.2: A 19 SER OG : rot 167:sc= 0.212 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0818 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.177 USER MOD Single : A 10 THR OG1 : rot -60:sc= 0.449 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -63:sc= -0.489 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 78:sc= 0.615 USER MOD Single : A 27 GLN : amide:sc= -0.966 K(o=-0.97,f=-1.7) USER MOD Single : A 37 SER OG : rot -99:sc= 0.118 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.15 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.21! USER MOD Single : A 50 ASN :FLIP amide:sc= -0.75 F(o=-2.4,f=-0.75) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0.347 (180deg=0.217) USER MOD Single : A 58 SER OG : rot 180:sc= -0.283 USER MOD Single : A 63 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.12) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -23:sc= -0.756 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.533 K(o=-0.53,f=-4.1!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -1.55! C(o=-2.5!,f=-1.5!) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.638 F(o=-1.5,f=-0.64) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0864 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 160:sc= -0.296 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.849 18.604 18.808 1.00 70.35 N ATOM 2 CA GLY A 1 9.682 17.811 18.462 1.00 44.40 C ATOM 3 C GLY A 1 9.567 16.555 19.302 1.00 61.02 C ATOM 4 O GLY A 1 10.467 16.208 20.066 1.00 21.14 O ATOM 0 H1 GLY A 1 10.549 19.559 19.090 1.00 70.35 H new ATOM 0 H2 GLY A 1 11.354 18.153 19.597 1.00 70.35 H new ATOM 0 H3 GLY A 1 11.481 18.669 17.985 1.00 70.35 H new ATOM 0 HA2 GLY A 1 8.784 18.415 18.592 1.00 44.40 H new ATOM 0 HA3 GLY A 1 9.732 17.537 17.408 1.00 44.40 H new ATOM 7 N PRO A 2 8.433 15.852 19.166 1.00 21.35 N ATOM 8 CA PRO A 2 8.175 14.617 19.912 1.00 34.32 C ATOM 9 C PRO A 2 9.061 13.464 19.452 1.00 53.25 C ATOM 10 O PRO A 2 9.522 13.441 18.310 1.00 24.51 O ATOM 11 CB PRO A 2 6.704 14.317 19.604 1.00 20.10 C ATOM 12 CG PRO A 2 6.451 14.977 18.293 1.00 72.12 C ATOM 13 CD PRO A 2 7.317 16.205 18.274 1.00 43.25 C ATOM 0 HA PRO A 2 8.388 14.732 20.975 1.00 34.32 H new ATOM 0 HB2 PRO A 2 6.522 13.244 19.549 1.00 20.10 H new ATOM 0 HB3 PRO A 2 6.048 14.712 20.380 1.00 20.10 H new ATOM 0 HG2 PRO A 2 6.700 14.311 17.467 1.00 72.12 H new ATOM 0 HG3 PRO A 2 5.399 15.240 18.185 1.00 72.12 H new ATOM 0 HD2 PRO A 2 7.665 16.435 17.267 1.00 43.25 H new ATOM 0 HD3 PRO A 2 6.778 17.082 18.633 1.00 43.25 H new ATOM 21 N LEU A 3 9.295 12.509 20.346 1.00 11.32 N ATOM 22 CA LEU A 3 10.127 11.353 20.030 1.00 15.01 C ATOM 23 C LEU A 3 9.510 10.073 20.585 1.00 60.55 C ATOM 24 O LEU A 3 8.558 10.116 21.362 1.00 31.41 O ATOM 25 CB LEU A 3 11.534 11.542 20.598 1.00 13.15 C ATOM 26 CG LEU A 3 12.251 12.832 20.198 1.00 12.22 C ATOM 27 CD1 LEU A 3 12.255 13.821 21.353 1.00 41.32 C ATOM 28 CD2 LEU A 3 13.673 12.533 19.745 1.00 13.33 C ATOM 0 H LEU A 3 8.921 12.512 21.295 1.00 11.32 H new ATOM 0 HA LEU A 3 10.189 11.265 18.945 1.00 15.01 H new ATOM 0 HB2 LEU A 3 11.473 11.506 21.686 1.00 13.15 H new ATOM 0 HB3 LEU A 3 12.147 10.697 20.285 1.00 13.15 H new ATOM 0 HG LEU A 3 11.712 13.281 19.364 1.00 12.22 H new ATOM 0 HD11 LEU A 3 12.770 14.733 21.050 1.00 41.32 H new ATOM 0 HD12 LEU A 3 11.228 14.059 21.632 1.00 41.32 H new ATOM 0 HD13 LEU A 3 12.770 13.381 22.207 1.00 41.32 H new ATOM 0 HD21 LEU A 3 14.168 13.462 19.464 1.00 13.33 H new ATOM 0 HD22 LEU A 3 14.223 12.061 20.559 1.00 13.33 H new ATOM 0 HD23 LEU A 3 13.648 11.862 18.887 1.00 13.33 H new ATOM 40 N GLY A 4 10.062 8.933 20.180 1.00 40.05 N ATOM 41 CA GLY A 4 9.555 7.657 20.646 1.00 31.44 C ATOM 42 C GLY A 4 9.877 6.521 19.696 1.00 63.41 C ATOM 43 O GLY A 4 11.002 6.021 19.673 1.00 73.34 O ATOM 0 H GLY A 4 10.852 8.871 19.537 1.00 40.05 H new ATOM 0 HA2 GLY A 4 9.979 7.438 21.626 1.00 31.44 H new ATOM 0 HA3 GLY A 4 8.475 7.724 20.774 1.00 31.44 H new ATOM 47 N SER A 5 8.888 6.112 18.907 1.00 50.10 N ATOM 48 CA SER A 5 9.070 5.024 17.953 1.00 73.33 C ATOM 49 C SER A 5 9.391 3.718 18.673 1.00 40.15 C ATOM 50 O SER A 5 9.755 3.718 19.848 1.00 54.22 O ATOM 51 CB SER A 5 10.189 5.365 16.967 1.00 71.31 C ATOM 52 OG SER A 5 9.946 4.783 15.698 1.00 3.42 O ATOM 0 H SER A 5 7.952 6.518 18.910 1.00 50.10 H new ATOM 0 HA SER A 5 8.138 4.895 17.403 1.00 73.33 H new ATOM 0 HB2 SER A 5 10.270 6.447 16.865 1.00 71.31 H new ATOM 0 HB3 SER A 5 11.143 5.009 17.357 1.00 71.31 H new ATOM 0 HG SER A 5 10.674 5.017 15.086 1.00 3.42 H new ATOM 58 N MET A 6 9.254 2.606 17.957 1.00 73.44 N ATOM 59 CA MET A 6 9.529 1.292 18.527 1.00 44.34 C ATOM 60 C MET A 6 9.506 0.216 17.446 1.00 12.34 C ATOM 61 O MET A 6 10.335 -0.691 17.444 1.00 22.42 O ATOM 62 CB MET A 6 8.509 0.960 19.616 1.00 14.41 C ATOM 63 CG MET A 6 7.071 1.234 19.206 1.00 23.33 C ATOM 64 SD MET A 6 5.882 0.725 20.463 1.00 72.10 S ATOM 65 CE MET A 6 4.516 0.185 19.437 1.00 21.21 C ATOM 0 H MET A 6 8.955 2.589 16.982 1.00 73.44 H new ATOM 0 HA MET A 6 10.525 1.317 18.970 1.00 44.34 H new ATOM 0 HB2 MET A 6 8.607 -0.092 19.886 1.00 14.41 H new ATOM 0 HB3 MET A 6 8.741 1.541 20.509 1.00 14.41 H new ATOM 0 HG2 MET A 6 6.950 2.299 19.007 1.00 23.33 H new ATOM 0 HG3 MET A 6 6.856 0.710 18.275 1.00 23.33 H new ATOM 0 HE1 MET A 6 3.699 -0.160 20.071 1.00 21.21 H new ATOM 0 HE2 MET A 6 4.172 1.017 18.822 1.00 21.21 H new ATOM 0 HE3 MET A 6 4.845 -0.630 18.793 1.00 21.21 H new ATOM 75 N ALA A 7 8.550 0.325 16.530 1.00 31.11 N ATOM 76 CA ALA A 7 8.418 -0.638 15.443 1.00 12.33 C ATOM 77 C ALA A 7 8.130 -2.036 15.981 1.00 73.12 C ATOM 78 O ALA A 7 8.189 -2.271 17.188 1.00 72.52 O ATOM 79 CB ALA A 7 9.680 -0.647 14.593 1.00 64.40 C ATOM 0 H ALA A 7 7.855 1.071 16.519 1.00 31.11 H new ATOM 0 HA ALA A 7 7.575 -0.336 14.821 1.00 12.33 H new ATOM 0 HB1 ALA A 7 9.569 -1.370 13.785 1.00 64.40 H new ATOM 0 HB2 ALA A 7 9.842 0.345 14.172 1.00 64.40 H new ATOM 0 HB3 ALA A 7 10.534 -0.923 15.212 1.00 64.40 H new ATOM 85 N SER A 8 7.818 -2.960 15.078 1.00 5.40 N ATOM 86 CA SER A 8 7.515 -4.333 15.462 1.00 44.32 C ATOM 87 C SER A 8 7.209 -5.186 14.235 1.00 63.13 C ATOM 88 O SER A 8 6.179 -5.010 13.584 1.00 54.34 O ATOM 89 CB SER A 8 6.331 -4.366 16.428 1.00 44.25 C ATOM 90 OG SER A 8 5.505 -3.226 16.260 1.00 33.13 O ATOM 0 H SER A 8 7.769 -2.782 14.075 1.00 5.40 H new ATOM 0 HA SER A 8 8.392 -4.746 15.960 1.00 44.32 H new ATOM 0 HB2 SER A 8 5.746 -5.271 16.261 1.00 44.25 H new ATOM 0 HB3 SER A 8 6.696 -4.407 17.454 1.00 44.25 H new ATOM 0 HG SER A 8 4.754 -3.271 16.888 1.00 33.13 H new ATOM 96 N ALA A 9 8.112 -6.110 13.923 1.00 4.21 N ATOM 97 CA ALA A 9 7.939 -6.991 12.775 1.00 73.33 C ATOM 98 C ALA A 9 9.023 -8.063 12.737 1.00 74.44 C ATOM 99 O ALA A 9 10.120 -7.869 13.260 1.00 22.33 O ATOM 100 CB ALA A 9 7.944 -6.185 11.485 1.00 32.54 C ATOM 0 H ALA A 9 8.971 -6.268 14.450 1.00 4.21 H new ATOM 0 HA ALA A 9 6.975 -7.490 12.874 1.00 73.33 H new ATOM 0 HB1 ALA A 9 7.814 -6.856 10.636 1.00 32.54 H new ATOM 0 HB2 ALA A 9 7.128 -5.462 11.504 1.00 32.54 H new ATOM 0 HB3 ALA A 9 8.893 -5.658 11.389 1.00 32.54 H new ATOM 106 N THR A 10 8.709 -9.194 12.113 1.00 34.03 N ATOM 107 CA THR A 10 9.655 -10.297 12.008 1.00 25.14 C ATOM 108 C THR A 10 9.112 -11.405 11.113 1.00 42.13 C ATOM 109 O THR A 10 8.682 -12.453 11.597 1.00 44.01 O ATOM 110 CB THR A 10 9.988 -10.887 13.392 1.00 15.51 C ATOM 111 OG1 THR A 10 10.723 -12.106 13.241 1.00 22.14 O ATOM 112 CG2 THR A 10 8.717 -11.149 14.188 1.00 61.23 C ATOM 0 H THR A 10 7.806 -9.370 11.673 1.00 34.03 H new ATOM 0 HA THR A 10 10.565 -9.891 11.566 1.00 25.14 H new ATOM 0 HB THR A 10 10.595 -10.163 13.935 1.00 15.51 H new ATOM 0 HG1 THR A 10 10.184 -12.753 12.739 1.00 22.14 H new ATOM 0 HG21 THR A 10 8.977 -11.565 15.161 1.00 61.23 H new ATOM 0 HG22 THR A 10 8.175 -10.213 14.326 1.00 61.23 H new ATOM 0 HG23 THR A 10 8.088 -11.856 13.647 1.00 61.23 H new ATOM 120 N LEU A 11 9.134 -11.168 9.807 1.00 51.54 N ATOM 121 CA LEU A 11 8.643 -12.147 8.843 1.00 61.12 C ATOM 122 C LEU A 11 9.556 -12.215 7.623 1.00 1.02 C ATOM 123 O LEU A 11 10.484 -11.421 7.486 1.00 44.23 O ATOM 124 CB LEU A 11 7.218 -11.796 8.410 1.00 25.03 C ATOM 125 CG LEU A 11 6.111 -12.134 9.406 1.00 32.01 C ATOM 126 CD1 LEU A 11 5.788 -10.928 10.276 1.00 5.13 C ATOM 127 CD2 LEU A 11 4.865 -12.616 8.679 1.00 62.32 C ATOM 0 H LEU A 11 9.487 -10.306 9.390 1.00 51.54 H new ATOM 0 HA LEU A 11 8.639 -13.125 9.325 1.00 61.12 H new ATOM 0 HB2 LEU A 11 7.176 -10.727 8.201 1.00 25.03 H new ATOM 0 HB3 LEU A 11 7.007 -12.313 7.474 1.00 25.03 H new ATOM 0 HG LEU A 11 6.465 -12.939 10.051 1.00 32.01 H new ATOM 0 HD11 LEU A 11 4.997 -11.188 10.979 1.00 5.13 H new ATOM 0 HD12 LEU A 11 6.679 -10.628 10.827 1.00 5.13 H new ATOM 0 HD13 LEU A 11 5.456 -10.103 9.646 1.00 5.13 H new ATOM 0 HD21 LEU A 11 4.088 -12.852 9.406 1.00 62.32 H new ATOM 0 HD22 LEU A 11 4.509 -11.834 8.009 1.00 62.32 H new ATOM 0 HD23 LEU A 11 5.104 -13.509 8.101 1.00 62.32 H new ATOM 139 N GLY A 12 9.283 -13.170 6.738 1.00 43.43 N ATOM 140 CA GLY A 12 10.088 -13.322 5.540 1.00 31.52 C ATOM 141 C GLY A 12 9.268 -13.765 4.343 1.00 0.25 C ATOM 142 O GLY A 12 8.219 -14.389 4.498 1.00 14.54 O ATOM 0 H GLY A 12 8.520 -13.840 6.830 1.00 43.43 H new ATOM 0 HA2 GLY A 12 10.576 -12.375 5.312 1.00 31.52 H new ATOM 0 HA3 GLY A 12 10.877 -14.051 5.726 1.00 31.52 H new ATOM 146 N SER A 13 9.749 -13.442 3.148 1.00 12.11 N ATOM 147 CA SER A 13 9.050 -13.805 1.920 1.00 33.15 C ATOM 148 C SER A 13 9.921 -13.530 0.698 1.00 74.45 C ATOM 149 O SER A 13 10.912 -12.804 0.779 1.00 72.02 O ATOM 150 CB SER A 13 7.734 -13.031 1.808 1.00 21.31 C ATOM 151 OG SER A 13 7.903 -11.680 2.200 1.00 3.41 O ATOM 0 H SER A 13 10.619 -12.930 3.003 1.00 12.11 H new ATOM 0 HA SER A 13 8.833 -14.872 1.957 1.00 33.15 H new ATOM 0 HB2 SER A 13 7.370 -13.072 0.781 1.00 21.31 H new ATOM 0 HB3 SER A 13 6.976 -13.503 2.434 1.00 21.31 H new ATOM 0 HG SER A 13 7.049 -11.206 2.118 1.00 3.41 H new ATOM 157 N SER A 14 9.543 -14.116 -0.433 1.00 61.42 N ATOM 158 CA SER A 14 10.291 -13.940 -1.673 1.00 43.44 C ATOM 159 C SER A 14 9.813 -12.699 -2.422 1.00 22.32 C ATOM 160 O SER A 14 8.687 -12.658 -2.921 1.00 13.45 O ATOM 161 CB SER A 14 10.145 -15.175 -2.563 1.00 10.21 C ATOM 162 OG SER A 14 10.892 -15.034 -3.759 1.00 24.01 O ATOM 0 H SER A 14 8.723 -14.717 -0.517 1.00 61.42 H new ATOM 0 HA SER A 14 11.343 -13.809 -1.419 1.00 43.44 H new ATOM 0 HB2 SER A 14 10.483 -16.059 -2.022 1.00 10.21 H new ATOM 0 HB3 SER A 14 9.093 -15.331 -2.804 1.00 10.21 H new ATOM 0 HG SER A 14 10.783 -15.837 -4.309 1.00 24.01 H new ATOM 168 N SER A 15 10.677 -11.693 -2.500 1.00 65.05 N ATOM 169 CA SER A 15 10.343 -10.449 -3.186 1.00 71.23 C ATOM 170 C SER A 15 11.605 -9.674 -3.550 1.00 54.25 C ATOM 171 O SER A 15 12.720 -10.120 -3.281 1.00 50.23 O ATOM 172 CB SER A 15 9.434 -9.586 -2.308 1.00 61.02 C ATOM 173 OG SER A 15 9.000 -10.303 -1.165 1.00 62.14 O ATOM 0 H SER A 15 11.614 -11.714 -2.097 1.00 65.05 H new ATOM 0 HA SER A 15 9.815 -10.700 -4.106 1.00 71.23 H new ATOM 0 HB2 SER A 15 9.969 -8.689 -1.997 1.00 61.02 H new ATOM 0 HB3 SER A 15 8.570 -9.258 -2.886 1.00 61.02 H new ATOM 0 HG SER A 15 8.629 -9.678 -0.508 1.00 62.14 H new ATOM 179 N SER A 16 11.419 -8.509 -4.162 1.00 41.51 N ATOM 180 CA SER A 16 12.542 -7.671 -4.566 1.00 60.25 C ATOM 181 C SER A 16 13.475 -7.406 -3.389 1.00 73.31 C ATOM 182 O SER A 16 14.626 -7.841 -3.385 1.00 12.43 O ATOM 183 CB SER A 16 12.036 -6.345 -5.140 1.00 14.03 C ATOM 184 OG SER A 16 10.634 -6.380 -5.347 1.00 4.14 O ATOM 0 H SER A 16 10.502 -8.124 -4.389 1.00 41.51 H new ATOM 0 HA SER A 16 13.101 -8.203 -5.336 1.00 60.25 H new ATOM 0 HB2 SER A 16 12.286 -5.531 -4.459 1.00 14.03 H new ATOM 0 HB3 SER A 16 12.541 -6.137 -6.083 1.00 14.03 H new ATOM 0 HG SER A 16 10.419 -7.065 -6.014 1.00 4.14 H new ATOM 190 N SER A 17 12.967 -6.689 -2.390 1.00 61.14 N ATOM 191 CA SER A 17 13.756 -6.362 -1.208 1.00 32.32 C ATOM 192 C SER A 17 12.868 -6.278 0.030 1.00 34.14 C ATOM 193 O SER A 17 12.589 -5.192 0.535 1.00 1.24 O ATOM 194 CB SER A 17 14.493 -5.036 -1.410 1.00 32.43 C ATOM 195 OG SER A 17 15.638 -4.959 -0.582 1.00 4.23 O ATOM 0 H SER A 17 12.014 -6.324 -2.376 1.00 61.14 H new ATOM 0 HA SER A 17 14.487 -7.157 -1.058 1.00 32.32 H new ATOM 0 HB2 SER A 17 14.788 -4.936 -2.454 1.00 32.43 H new ATOM 0 HB3 SER A 17 13.823 -4.206 -1.187 1.00 32.43 H new ATOM 0 HG SER A 17 16.092 -4.103 -0.731 1.00 4.23 H new ATOM 201 N ALA A 18 12.425 -7.435 0.512 1.00 13.15 N ATOM 202 CA ALA A 18 11.571 -7.494 1.692 1.00 13.01 C ATOM 203 C ALA A 18 10.230 -6.815 1.433 1.00 32.31 C ATOM 204 O ALA A 18 10.112 -5.972 0.543 1.00 11.14 O ATOM 205 CB ALA A 18 12.269 -6.853 2.883 1.00 72.15 C ATOM 0 H ALA A 18 12.643 -8.344 0.103 1.00 13.15 H new ATOM 0 HA ALA A 18 11.380 -8.543 1.920 1.00 13.01 H new ATOM 0 HB1 ALA A 18 11.619 -6.905 3.757 1.00 72.15 H new ATOM 0 HB2 ALA A 18 13.198 -7.385 3.090 1.00 72.15 H new ATOM 0 HB3 ALA A 18 12.491 -5.810 2.657 1.00 72.15 H new ATOM 211 N SER A 19 9.223 -7.188 2.216 1.00 62.23 N ATOM 212 CA SER A 19 7.889 -6.617 2.068 1.00 73.53 C ATOM 213 C SER A 19 6.927 -7.212 3.091 1.00 42.04 C ATOM 214 O SER A 19 6.002 -7.953 2.756 1.00 51.33 O ATOM 215 CB SER A 19 7.360 -6.861 0.653 1.00 64.05 C ATOM 216 OG SER A 19 7.945 -8.019 0.083 1.00 63.03 O ATOM 0 H SER A 19 9.305 -7.882 2.959 1.00 62.23 H new ATOM 0 HA SER A 19 7.960 -5.543 2.242 1.00 73.53 H new ATOM 0 HB2 SER A 19 6.276 -6.973 0.681 1.00 64.05 H new ATOM 0 HB3 SER A 19 7.575 -5.995 0.027 1.00 64.05 H new ATOM 0 HG SER A 19 7.450 -8.272 -0.724 1.00 63.03 H new ATOM 222 N PRO A 20 7.149 -6.883 4.372 1.00 71.12 N ATOM 223 CA PRO A 20 6.312 -7.372 5.472 1.00 33.22 C ATOM 224 C PRO A 20 4.915 -6.762 5.454 1.00 14.35 C ATOM 225 O PRO A 20 3.925 -7.448 5.706 1.00 10.42 O ATOM 226 CB PRO A 20 7.074 -6.928 6.723 1.00 5.32 C ATOM 227 CG PRO A 20 7.870 -5.747 6.282 1.00 61.30 C ATOM 228 CD PRO A 20 8.232 -6.005 4.846 1.00 24.22 C ATOM 0 HA PRO A 20 6.152 -8.449 5.414 1.00 33.22 H new ATOM 0 HB2 PRO A 20 6.391 -6.666 7.531 1.00 5.32 H new ATOM 0 HB3 PRO A 20 7.719 -7.723 7.097 1.00 5.32 H new ATOM 0 HG2 PRO A 20 7.292 -4.828 6.380 1.00 61.30 H new ATOM 0 HG3 PRO A 20 8.764 -5.628 6.894 1.00 61.30 H new ATOM 0 HD2 PRO A 20 8.280 -5.080 4.271 1.00 24.22 H new ATOM 0 HD3 PRO A 20 9.206 -6.486 4.758 1.00 24.22 H new ATOM 236 N ALA A 21 4.843 -5.469 5.156 1.00 1.35 N ATOM 237 CA ALA A 21 3.567 -4.767 5.104 1.00 61.24 C ATOM 238 C ALA A 21 2.656 -5.362 4.036 1.00 75.21 C ATOM 239 O ALA A 21 1.439 -5.422 4.206 1.00 13.23 O ATOM 240 CB ALA A 21 3.790 -3.284 4.842 1.00 22.25 C ATOM 0 H ALA A 21 5.654 -4.886 4.947 1.00 1.35 H new ATOM 0 HA ALA A 21 3.077 -4.885 6.070 1.00 61.24 H new ATOM 0 HB1 ALA A 21 2.828 -2.772 4.806 1.00 22.25 H new ATOM 0 HB2 ALA A 21 4.397 -2.860 5.642 1.00 22.25 H new ATOM 0 HB3 ALA A 21 4.305 -3.156 3.890 1.00 22.25 H new ATOM 246 N VAL A 22 3.255 -5.803 2.933 1.00 50.40 N ATOM 247 CA VAL A 22 2.496 -6.394 1.836 1.00 34.34 C ATOM 248 C VAL A 22 1.883 -7.727 2.251 1.00 63.24 C ATOM 249 O VAL A 22 0.697 -7.971 2.031 1.00 65.51 O ATOM 250 CB VAL A 22 3.382 -6.613 0.595 1.00 40.24 C ATOM 251 CG1 VAL A 22 2.528 -6.942 -0.620 1.00 33.15 C ATOM 252 CG2 VAL A 22 4.243 -5.386 0.335 1.00 14.31 C ATOM 0 H VAL A 22 4.262 -5.762 2.776 1.00 50.40 H new ATOM 0 HA VAL A 22 1.700 -5.692 1.585 1.00 34.34 H new ATOM 0 HB VAL A 22 4.042 -7.460 0.785 1.00 40.24 H new ATOM 0 HG11 VAL A 22 3.171 -7.093 -1.487 1.00 33.15 H new ATOM 0 HG12 VAL A 22 1.958 -7.851 -0.428 1.00 33.15 H new ATOM 0 HG13 VAL A 22 1.842 -6.118 -0.817 1.00 33.15 H new ATOM 0 HG21 VAL A 22 4.863 -5.557 -0.545 1.00 14.31 H new ATOM 0 HG22 VAL A 22 3.602 -4.521 0.165 1.00 14.31 H new ATOM 0 HG23 VAL A 22 4.882 -5.200 1.198 1.00 14.31 H new ATOM 262 N ALA A 23 2.699 -8.589 2.849 1.00 11.14 N ATOM 263 CA ALA A 23 2.236 -9.896 3.296 1.00 64.15 C ATOM 264 C ALA A 23 1.257 -9.766 4.456 1.00 53.45 C ATOM 265 O ALA A 23 0.286 -10.516 4.549 1.00 52.12 O ATOM 266 CB ALA A 23 3.420 -10.766 3.696 1.00 70.53 C ATOM 0 H ALA A 23 3.685 -8.405 3.035 1.00 11.14 H new ATOM 0 HA ALA A 23 1.712 -10.371 2.467 1.00 64.15 H new ATOM 0 HB1 ALA A 23 3.060 -11.740 4.028 1.00 70.53 H new ATOM 0 HB2 ALA A 23 4.082 -10.896 2.840 1.00 70.53 H new ATOM 0 HB3 ALA A 23 3.967 -10.285 4.507 1.00 70.53 H new ATOM 272 N GLU A 24 1.519 -8.808 5.341 1.00 15.40 N ATOM 273 CA GLU A 24 0.659 -8.580 6.496 1.00 11.35 C ATOM 274 C GLU A 24 -0.759 -8.228 6.059 1.00 54.52 C ATOM 275 O GLU A 24 -1.731 -8.562 6.736 1.00 15.33 O ATOM 276 CB GLU A 24 1.228 -7.461 7.370 1.00 12.54 C ATOM 277 CG GLU A 24 2.328 -7.923 8.312 1.00 62.01 C ATOM 278 CD GLU A 24 1.891 -7.930 9.763 1.00 51.05 C ATOM 279 OE1 GLU A 24 0.830 -8.520 10.060 1.00 52.14 O ATOM 280 OE2 GLU A 24 2.607 -7.347 10.603 1.00 42.44 O ATOM 0 H GLU A 24 2.319 -8.178 5.280 1.00 15.40 H new ATOM 0 HA GLU A 24 0.622 -9.502 7.076 1.00 11.35 H new ATOM 0 HB2 GLU A 24 1.619 -6.673 6.727 1.00 12.54 H new ATOM 0 HB3 GLU A 24 0.420 -7.023 7.956 1.00 12.54 H new ATOM 0 HG2 GLU A 24 2.646 -8.926 8.028 1.00 62.01 H new ATOM 0 HG3 GLU A 24 3.194 -7.270 8.201 1.00 62.01 H new ATOM 287 N LEU A 25 -0.871 -7.550 4.922 1.00 23.02 N ATOM 288 CA LEU A 25 -2.169 -7.150 4.393 1.00 11.33 C ATOM 289 C LEU A 25 -2.971 -8.366 3.941 1.00 15.54 C ATOM 290 O LEU A 25 -4.155 -8.493 4.257 1.00 61.32 O ATOM 291 CB LEU A 25 -1.990 -6.181 3.223 1.00 31.33 C ATOM 292 CG LEU A 25 -2.322 -4.716 3.507 1.00 70.20 C ATOM 293 CD1 LEU A 25 -3.827 -4.520 3.602 1.00 50.43 C ATOM 294 CD2 LEU A 25 -1.640 -4.252 4.786 1.00 24.31 C ATOM 0 H LEU A 25 -0.077 -7.266 4.348 1.00 23.02 H new ATOM 0 HA LEU A 25 -2.719 -6.650 5.190 1.00 11.33 H new ATOM 0 HB2 LEU A 25 -0.956 -6.239 2.884 1.00 31.33 H new ATOM 0 HB3 LEU A 25 -2.615 -6.521 2.397 1.00 31.33 H new ATOM 0 HG LEU A 25 -1.948 -4.112 2.681 1.00 70.20 H new ATOM 0 HD11 LEU A 25 -4.045 -3.471 3.805 1.00 50.43 H new ATOM 0 HD12 LEU A 25 -4.292 -4.812 2.661 1.00 50.43 H new ATOM 0 HD13 LEU A 25 -4.224 -5.136 4.409 1.00 50.43 H new ATOM 0 HD21 LEU A 25 -1.888 -3.207 4.972 1.00 24.31 H new ATOM 0 HD22 LEU A 25 -1.983 -4.861 5.623 1.00 24.31 H new ATOM 0 HD23 LEU A 25 -0.560 -4.356 4.681 1.00 24.31 H new ATOM 306 N CYS A 26 -2.319 -9.259 3.205 1.00 1.04 N ATOM 307 CA CYS A 26 -2.970 -10.466 2.713 1.00 30.31 C ATOM 308 C CYS A 26 -3.552 -11.280 3.864 1.00 21.22 C ATOM 309 O CYS A 26 -4.446 -12.102 3.666 1.00 62.14 O ATOM 310 CB CYS A 26 -1.978 -11.320 1.921 1.00 60.12 C ATOM 311 SG CYS A 26 -2.588 -11.849 0.303 1.00 4.01 S ATOM 0 H CYS A 26 -1.339 -9.169 2.936 1.00 1.04 H new ATOM 0 HA CYS A 26 -3.786 -10.165 2.056 1.00 30.31 H new ATOM 0 HB2 CYS A 26 -1.057 -10.754 1.783 1.00 60.12 H new ATOM 0 HB3 CYS A 26 -1.725 -12.203 2.508 1.00 60.12 H new ATOM 0 HG CYS A 26 -2.506 -10.860 -0.536 1.00 4.01 H new ATOM 317 N GLN A 27 -3.038 -11.045 5.067 1.00 13.24 N ATOM 318 CA GLN A 27 -3.505 -11.757 6.251 1.00 60.03 C ATOM 319 C GLN A 27 -4.991 -11.503 6.487 1.00 25.33 C ATOM 320 O GLN A 27 -5.652 -12.255 7.201 1.00 11.14 O ATOM 321 CB GLN A 27 -2.701 -11.330 7.480 1.00 21.12 C ATOM 322 CG GLN A 27 -1.197 -11.443 7.292 1.00 71.03 C ATOM 323 CD GLN A 27 -0.431 -11.267 8.588 1.00 54.12 C ATOM 324 OE1 GLN A 27 -0.879 -10.566 9.497 1.00 71.40 O ATOM 325 NE2 GLN A 27 0.730 -11.904 8.682 1.00 23.23 N ATOM 0 H GLN A 27 -2.298 -10.367 5.248 1.00 13.24 H new ATOM 0 HA GLN A 27 -3.359 -12.824 6.084 1.00 60.03 H new ATOM 0 HB2 GLN A 27 -2.951 -10.298 7.727 1.00 21.12 H new ATOM 0 HB3 GLN A 27 -3.000 -11.943 8.330 1.00 21.12 H new ATOM 0 HG2 GLN A 27 -0.961 -12.417 6.864 1.00 71.03 H new ATOM 0 HG3 GLN A 27 -0.867 -10.692 6.575 1.00 71.03 H new ATOM 0 HE21 GLN A 27 1.063 -12.474 7.905 1.00 23.23 H new ATOM 0 HE22 GLN A 27 1.289 -11.823 9.532 1.00 23.23 H new ATOM 334 N ASN A 28 -5.507 -10.439 5.882 1.00 72.21 N ATOM 335 CA ASN A 28 -6.916 -10.087 6.028 1.00 43.23 C ATOM 336 C ASN A 28 -7.744 -10.678 4.892 1.00 31.41 C ATOM 337 O ASN A 28 -8.730 -11.380 5.127 1.00 52.23 O ATOM 338 CB ASN A 28 -7.081 -8.565 6.057 1.00 63.55 C ATOM 339 CG ASN A 28 -8.537 -8.143 6.086 1.00 73.43 C ATOM 340 OD1 ASN A 28 -8.981 -7.350 5.256 1.00 53.31 O ATOM 341 ND2 ASN A 28 -9.289 -8.675 7.042 1.00 55.32 N ATOM 0 H ASN A 28 -4.973 -9.806 5.287 1.00 72.21 H new ATOM 0 HA ASN A 28 -7.275 -10.503 6.969 1.00 43.23 H new ATOM 0 HB2 ASN A 28 -6.571 -8.163 6.933 1.00 63.55 H new ATOM 0 HB3 ASN A 28 -6.597 -8.133 5.181 1.00 63.55 H new ATOM 0 HD21 ASN A 28 -10.277 -8.430 7.109 1.00 55.32 H new ATOM 0 HD22 ASN A 28 -8.879 -9.329 7.709 1.00 55.32 H new ATOM 348 N THR A 29 -7.341 -10.391 3.659 1.00 43.52 N ATOM 349 CA THR A 29 -8.046 -10.893 2.486 1.00 22.11 C ATOM 350 C THR A 29 -7.249 -10.633 1.213 1.00 41.14 C ATOM 351 O THR A 29 -6.500 -9.662 1.107 1.00 42.24 O ATOM 352 CB THR A 29 -9.438 -10.247 2.349 1.00 24.54 C ATOM 353 OG1 THR A 29 -9.592 -9.204 3.317 1.00 64.02 O ATOM 354 CG2 THR A 29 -10.535 -11.284 2.534 1.00 20.15 C ATOM 0 H THR A 29 -6.528 -9.812 3.446 1.00 43.52 H new ATOM 0 HA THR A 29 -8.165 -11.968 2.623 1.00 22.11 H new ATOM 0 HB THR A 29 -9.522 -9.826 1.347 1.00 24.54 H new ATOM 0 HG1 THR A 29 -10.545 -9.017 3.447 1.00 64.02 H new ATOM 0 HG21 THR A 29 -11.509 -10.805 2.433 1.00 20.15 H new ATOM 0 HG22 THR A 29 -10.432 -12.061 1.777 1.00 20.15 H new ATOM 0 HG23 THR A 29 -10.451 -11.730 3.525 1.00 20.15 H new ATOM 362 N PRO A 30 -7.413 -11.521 0.220 1.00 73.02 N ATOM 363 CA PRO A 30 -6.718 -11.407 -1.066 1.00 71.11 C ATOM 364 C PRO A 30 -7.227 -10.234 -1.898 1.00 1.45 C ATOM 365 O PRO A 30 -6.442 -9.412 -2.370 1.00 31.21 O ATOM 366 CB PRO A 30 -7.038 -12.733 -1.759 1.00 62.34 C ATOM 367 CG PRO A 30 -8.321 -13.181 -1.149 1.00 12.52 C ATOM 368 CD PRO A 30 -8.291 -12.702 0.277 1.00 64.44 C ATOM 0 HA PRO A 30 -5.651 -11.223 -0.939 1.00 71.11 H new ATOM 0 HB2 PRO A 30 -7.137 -12.602 -2.837 1.00 62.34 H new ATOM 0 HB3 PRO A 30 -6.246 -13.465 -1.598 1.00 62.34 H new ATOM 0 HG2 PRO A 30 -9.174 -12.763 -1.683 1.00 12.52 H new ATOM 0 HG3 PRO A 30 -8.417 -14.266 -1.194 1.00 12.52 H new ATOM 0 HD2 PRO A 30 -9.288 -12.445 0.636 1.00 64.44 H new ATOM 0 HD3 PRO A 30 -7.897 -13.464 0.949 1.00 64.44 H new ATOM 376 N GLU A 31 -8.542 -10.165 -2.073 1.00 33.23 N ATOM 377 CA GLU A 31 -9.153 -9.092 -2.849 1.00 72.22 C ATOM 378 C GLU A 31 -8.996 -7.750 -2.138 1.00 75.43 C ATOM 379 O GLU A 31 -8.727 -6.727 -2.769 1.00 41.14 O ATOM 380 CB GLU A 31 -10.635 -9.385 -3.087 1.00 55.43 C ATOM 381 CG GLU A 31 -11.320 -8.369 -3.985 1.00 2.11 C ATOM 382 CD GLU A 31 -11.857 -8.986 -5.262 1.00 21.42 C ATOM 383 OE1 GLU A 31 -12.960 -9.573 -5.219 1.00 23.45 O ATOM 384 OE2 GLU A 31 -11.176 -8.884 -6.304 1.00 13.11 O ATOM 0 H GLU A 31 -9.205 -10.838 -1.689 1.00 33.23 H new ATOM 0 HA GLU A 31 -8.642 -9.037 -3.810 1.00 72.22 H new ATOM 0 HB2 GLU A 31 -10.734 -10.375 -3.532 1.00 55.43 H new ATOM 0 HB3 GLU A 31 -11.150 -9.414 -2.127 1.00 55.43 H new ATOM 0 HG2 GLU A 31 -12.140 -7.902 -3.439 1.00 2.11 H new ATOM 0 HG3 GLU A 31 -10.614 -7.578 -4.237 1.00 2.11 H new ATOM 391 N THR A 32 -9.168 -7.762 -0.820 1.00 54.22 N ATOM 392 CA THR A 32 -9.048 -6.546 -0.024 1.00 12.15 C ATOM 393 C THR A 32 -7.622 -6.005 -0.056 1.00 34.52 C ATOM 394 O THR A 32 -7.409 -4.796 -0.128 1.00 72.11 O ATOM 395 CB THR A 32 -9.459 -6.792 1.441 1.00 32.32 C ATOM 396 OG1 THR A 32 -10.839 -7.171 1.506 1.00 42.15 O ATOM 397 CG2 THR A 32 -9.231 -5.547 2.283 1.00 0.53 C ATOM 0 H THR A 32 -9.391 -8.599 -0.281 1.00 54.22 H new ATOM 0 HA THR A 32 -9.722 -5.811 -0.465 1.00 12.15 H new ATOM 0 HB THR A 32 -8.842 -7.598 1.838 1.00 32.32 H new ATOM 0 HG1 THR A 32 -11.092 -7.327 2.440 1.00 42.15 H new ATOM 0 HG21 THR A 32 -9.528 -5.745 3.313 1.00 0.53 H new ATOM 0 HG22 THR A 32 -8.175 -5.277 2.255 1.00 0.53 H new ATOM 0 HG23 THR A 32 -9.826 -4.725 1.885 1.00 0.53 H new ATOM 405 N PHE A 33 -6.651 -6.910 -0.004 1.00 1.03 N ATOM 406 CA PHE A 33 -5.246 -6.523 -0.026 1.00 31.02 C ATOM 407 C PHE A 33 -4.869 -5.920 -1.376 1.00 11.21 C ATOM 408 O PHE A 33 -4.102 -4.959 -1.448 1.00 13.41 O ATOM 409 CB PHE A 33 -4.356 -7.733 0.270 1.00 60.22 C ATOM 410 CG PHE A 33 -3.008 -7.663 -0.390 1.00 75.33 C ATOM 411 CD1 PHE A 33 -2.147 -6.611 -0.125 1.00 12.11 C ATOM 412 CD2 PHE A 33 -2.604 -8.648 -1.276 1.00 11.22 C ATOM 413 CE1 PHE A 33 -0.907 -6.543 -0.731 1.00 11.44 C ATOM 414 CE2 PHE A 33 -1.364 -8.587 -1.883 1.00 41.41 C ATOM 415 CZ PHE A 33 -0.515 -7.531 -1.611 1.00 41.03 C ATOM 0 H PHE A 33 -6.811 -7.916 0.054 1.00 1.03 H new ATOM 0 HA PHE A 33 -5.091 -5.769 0.746 1.00 31.02 H new ATOM 0 HB2 PHE A 33 -4.220 -7.818 1.348 1.00 60.22 H new ATOM 0 HB3 PHE A 33 -4.866 -8.638 -0.059 1.00 60.22 H new ATOM 0 HD1 PHE A 33 -2.448 -5.835 0.563 1.00 12.11 H new ATOM 0 HD2 PHE A 33 -3.266 -9.473 -1.495 1.00 11.22 H new ATOM 0 HE1 PHE A 33 -0.245 -5.717 -0.516 1.00 11.44 H new ATOM 0 HE2 PHE A 33 -1.059 -9.363 -2.569 1.00 41.41 H new ATOM 0 HZ PHE A 33 0.453 -7.479 -2.086 1.00 41.03 H new ATOM 425 N LEU A 34 -5.414 -6.490 -2.445 1.00 74.21 N ATOM 426 CA LEU A 34 -5.136 -6.011 -3.794 1.00 54.31 C ATOM 427 C LEU A 34 -5.541 -4.547 -3.945 1.00 43.32 C ATOM 428 O LEU A 34 -4.771 -3.730 -4.450 1.00 15.31 O ATOM 429 CB LEU A 34 -5.877 -6.865 -4.824 1.00 13.41 C ATOM 430 CG LEU A 34 -5.003 -7.600 -5.840 1.00 60.13 C ATOM 431 CD1 LEU A 34 -4.269 -6.607 -6.728 1.00 54.50 C ATOM 432 CD2 LEU A 34 -4.019 -8.517 -5.132 1.00 4.24 C ATOM 0 H LEU A 34 -6.052 -7.285 -2.403 1.00 74.21 H new ATOM 0 HA LEU A 34 -4.063 -6.093 -3.968 1.00 54.31 H new ATOM 0 HB2 LEU A 34 -6.477 -7.602 -4.291 1.00 13.41 H new ATOM 0 HB3 LEU A 34 -6.570 -6.223 -5.368 1.00 13.41 H new ATOM 0 HG LEU A 34 -5.647 -8.212 -6.471 1.00 60.13 H new ATOM 0 HD11 LEU A 34 -3.652 -7.148 -7.445 1.00 54.50 H new ATOM 0 HD12 LEU A 34 -4.993 -5.993 -7.263 1.00 54.50 H new ATOM 0 HD13 LEU A 34 -3.635 -5.968 -6.113 1.00 54.50 H new ATOM 0 HD21 LEU A 34 -3.405 -9.032 -5.871 1.00 4.24 H new ATOM 0 HD22 LEU A 34 -3.379 -7.927 -4.476 1.00 4.24 H new ATOM 0 HD23 LEU A 34 -4.566 -9.251 -4.540 1.00 4.24 H new ATOM 444 N GLU A 35 -6.753 -4.224 -3.503 1.00 14.33 N ATOM 445 CA GLU A 35 -7.257 -2.859 -3.588 1.00 54.15 C ATOM 446 C GLU A 35 -6.613 -1.974 -2.525 1.00 50.33 C ATOM 447 O GLU A 35 -6.188 -0.854 -2.810 1.00 4.01 O ATOM 448 CB GLU A 35 -8.779 -2.843 -3.428 1.00 25.13 C ATOM 449 CG GLU A 35 -9.525 -2.575 -4.723 1.00 41.42 C ATOM 450 CD GLU A 35 -9.025 -3.429 -5.872 1.00 42.44 C ATOM 451 OE1 GLU A 35 -9.168 -4.666 -5.800 1.00 34.32 O ATOM 452 OE2 GLU A 35 -8.490 -2.857 -6.846 1.00 12.13 O ATOM 0 H GLU A 35 -7.403 -4.889 -3.083 1.00 14.33 H new ATOM 0 HA GLU A 35 -6.998 -2.464 -4.570 1.00 54.15 H new ATOM 0 HB2 GLU A 35 -9.103 -3.802 -3.024 1.00 25.13 H new ATOM 0 HB3 GLU A 35 -9.051 -2.081 -2.698 1.00 25.13 H new ATOM 0 HG2 GLU A 35 -10.588 -2.763 -4.571 1.00 41.42 H new ATOM 0 HG3 GLU A 35 -9.422 -1.522 -4.986 1.00 41.42 H new ATOM 459 N ALA A 36 -6.548 -2.483 -1.300 1.00 4.11 N ATOM 460 CA ALA A 36 -5.954 -1.740 -0.194 1.00 73.23 C ATOM 461 C ALA A 36 -4.496 -1.401 -0.481 1.00 40.13 C ATOM 462 O ALA A 36 -3.970 -0.408 0.022 1.00 12.12 O ATOM 463 CB ALA A 36 -6.071 -2.535 1.098 1.00 25.02 C ATOM 0 H ALA A 36 -6.899 -3.407 -1.047 1.00 4.11 H new ATOM 0 HA ALA A 36 -6.501 -0.804 -0.081 1.00 73.23 H new ATOM 0 HB1 ALA A 36 -5.624 -1.969 1.915 1.00 25.02 H new ATOM 0 HB2 ALA A 36 -7.123 -2.720 1.317 1.00 25.02 H new ATOM 0 HB3 ALA A 36 -5.551 -3.486 0.988 1.00 25.02 H new ATOM 469 N SER A 37 -3.849 -2.232 -1.291 1.00 1.51 N ATOM 470 CA SER A 37 -2.448 -2.022 -1.641 1.00 14.31 C ATOM 471 C SER A 37 -2.314 -0.970 -2.736 1.00 42.32 C ATOM 472 O SER A 37 -1.467 -0.078 -2.660 1.00 15.24 O ATOM 473 CB SER A 37 -1.812 -3.336 -2.097 1.00 44.23 C ATOM 474 OG SER A 37 -2.514 -3.886 -3.200 1.00 1.22 O ATOM 0 H SER A 37 -4.271 -3.057 -1.717 1.00 1.51 H new ATOM 0 HA SER A 37 -1.926 -1.664 -0.753 1.00 14.31 H new ATOM 0 HB2 SER A 37 -0.772 -3.164 -2.373 1.00 44.23 H new ATOM 0 HB3 SER A 37 -1.809 -4.048 -1.272 1.00 44.23 H new ATOM 0 HG SER A 37 -3.122 -4.587 -2.884 1.00 1.22 H new ATOM 480 N LYS A 38 -3.155 -1.080 -3.759 1.00 44.35 N ATOM 481 CA LYS A 38 -3.133 -0.137 -4.873 1.00 34.44 C ATOM 482 C LYS A 38 -3.471 1.272 -4.400 1.00 51.44 C ATOM 483 O LYS A 38 -2.777 2.233 -4.733 1.00 4.33 O ATOM 484 CB LYS A 38 -4.121 -0.575 -5.956 1.00 72.53 C ATOM 485 CG LYS A 38 -3.865 0.066 -7.309 1.00 63.01 C ATOM 486 CD LYS A 38 -5.119 0.085 -8.165 1.00 32.32 C ATOM 487 CE LYS A 38 -6.057 1.211 -7.754 1.00 64.13 C ATOM 488 NZ LYS A 38 -5.672 2.508 -8.376 1.00 72.42 N ATOM 0 H LYS A 38 -3.860 -1.812 -3.840 1.00 44.35 H new ATOM 0 HA LYS A 38 -2.126 -0.128 -5.290 1.00 34.44 H new ATOM 0 HB2 LYS A 38 -4.074 -1.659 -6.062 1.00 72.53 H new ATOM 0 HB3 LYS A 38 -5.133 -0.330 -5.633 1.00 72.53 H new ATOM 0 HG2 LYS A 38 -3.505 1.085 -7.167 1.00 63.01 H new ATOM 0 HG3 LYS A 38 -3.078 -0.481 -7.828 1.00 63.01 H new ATOM 0 HD2 LYS A 38 -4.844 0.203 -9.213 1.00 32.32 H new ATOM 0 HD3 LYS A 38 -5.636 -0.871 -8.077 1.00 32.32 H new ATOM 0 HE2 LYS A 38 -7.077 0.958 -8.043 1.00 64.13 H new ATOM 0 HE3 LYS A 38 -6.049 1.312 -6.669 1.00 64.13 H new ATOM 0 HZ1 LYS A 38 -6.335 3.249 -8.072 1.00 72.42 H new ATOM 0 HZ2 LYS A 38 -4.708 2.762 -8.080 1.00 72.42 H new ATOM 0 HZ3 LYS A 38 -5.704 2.419 -9.412 1.00 72.42 H new ATOM 502 N LEU A 39 -4.541 1.389 -3.621 1.00 60.43 N ATOM 503 CA LEU A 39 -4.972 2.682 -3.102 1.00 35.45 C ATOM 504 C LEU A 39 -3.877 3.319 -2.251 1.00 23.44 C ATOM 505 O LEU A 39 -3.550 4.494 -2.419 1.00 44.34 O ATOM 506 CB LEU A 39 -6.247 2.523 -2.274 1.00 75.20 C ATOM 507 CG LEU A 39 -7.407 1.798 -2.958 1.00 64.24 C ATOM 508 CD1 LEU A 39 -8.205 0.990 -1.948 1.00 54.51 C ATOM 509 CD2 LEU A 39 -8.306 2.794 -3.679 1.00 15.43 C ATOM 0 H LEU A 39 -5.126 0.604 -3.335 1.00 60.43 H new ATOM 0 HA LEU A 39 -5.176 3.336 -3.950 1.00 35.45 H new ATOM 0 HB2 LEU A 39 -5.997 1.985 -1.360 1.00 75.20 H new ATOM 0 HB3 LEU A 39 -6.589 3.514 -1.977 1.00 75.20 H new ATOM 0 HG LEU A 39 -6.995 1.109 -3.695 1.00 64.24 H new ATOM 0 HD11 LEU A 39 -9.025 0.482 -2.455 1.00 54.51 H new ATOM 0 HD12 LEU A 39 -7.556 0.251 -1.479 1.00 54.51 H new ATOM 0 HD13 LEU A 39 -8.607 1.657 -1.185 1.00 54.51 H new ATOM 0 HD21 LEU A 39 -9.126 2.262 -4.160 1.00 15.43 H new ATOM 0 HD22 LEU A 39 -8.709 3.507 -2.960 1.00 15.43 H new ATOM 0 HD23 LEU A 39 -7.727 3.327 -4.433 1.00 15.43 H new ATOM 521 N LEU A 40 -3.312 2.535 -1.340 1.00 63.10 N ATOM 522 CA LEU A 40 -2.251 3.021 -0.464 1.00 21.35 C ATOM 523 C LEU A 40 -1.051 3.499 -1.276 1.00 70.20 C ATOM 524 O LEU A 40 -0.415 4.497 -0.936 1.00 74.11 O ATOM 525 CB LEU A 40 -1.818 1.920 0.506 1.00 21.22 C ATOM 526 CG LEU A 40 -2.765 1.644 1.674 1.00 60.22 C ATOM 527 CD1 LEU A 40 -2.403 0.335 2.357 1.00 75.42 C ATOM 528 CD2 LEU A 40 -2.732 2.795 2.670 1.00 52.14 C ATOM 0 H LEU A 40 -3.570 1.560 -1.188 1.00 63.10 H new ATOM 0 HA LEU A 40 -2.642 3.865 0.105 1.00 21.35 H new ATOM 0 HB2 LEU A 40 -1.690 0.996 -0.058 1.00 21.22 H new ATOM 0 HB3 LEU A 40 -0.841 2.184 0.911 1.00 21.22 H new ATOM 0 HG LEU A 40 -3.779 1.557 1.283 1.00 60.22 H new ATOM 0 HD11 LEU A 40 -3.088 0.155 3.186 1.00 75.42 H new ATOM 0 HD12 LEU A 40 -2.479 -0.483 1.640 1.00 75.42 H new ATOM 0 HD13 LEU A 40 -1.382 0.392 2.736 1.00 75.42 H new ATOM 0 HD21 LEU A 40 -3.412 2.582 3.495 1.00 52.14 H new ATOM 0 HD22 LEU A 40 -1.719 2.914 3.056 1.00 52.14 H new ATOM 0 HD23 LEU A 40 -3.041 3.715 2.173 1.00 52.14 H new ATOM 540 N LEU A 41 -0.748 2.782 -2.352 1.00 61.32 N ATOM 541 CA LEU A 41 0.374 3.134 -3.216 1.00 31.23 C ATOM 542 C LEU A 41 0.122 4.463 -3.921 1.00 60.30 C ATOM 543 O LEU A 41 1.022 5.295 -4.041 1.00 2.42 O ATOM 544 CB LEU A 41 0.613 2.032 -4.249 1.00 52.43 C ATOM 545 CG LEU A 41 2.049 1.890 -4.759 1.00 34.23 C ATOM 546 CD1 LEU A 41 2.467 3.133 -5.527 1.00 23.11 C ATOM 547 CD2 LEU A 41 3.001 1.630 -3.600 1.00 72.22 C ATOM 0 H LEU A 41 -1.263 1.953 -2.648 1.00 61.32 H new ATOM 0 HA LEU A 41 1.262 3.237 -2.593 1.00 31.23 H new ATOM 0 HB2 LEU A 41 0.308 1.081 -3.813 1.00 52.43 H new ATOM 0 HB3 LEU A 41 -0.038 2.215 -5.104 1.00 52.43 H new ATOM 0 HG LEU A 41 2.093 1.038 -5.438 1.00 34.23 H new ATOM 0 HD11 LEU A 41 3.491 3.014 -5.882 1.00 23.11 H new ATOM 0 HD12 LEU A 41 1.802 3.275 -6.379 1.00 23.11 H new ATOM 0 HD13 LEU A 41 2.409 4.002 -4.872 1.00 23.11 H new ATOM 0 HD21 LEU A 41 4.018 1.531 -3.980 1.00 72.22 H new ATOM 0 HD22 LEU A 41 2.955 2.462 -2.898 1.00 72.22 H new ATOM 0 HD23 LEU A 41 2.713 0.710 -3.092 1.00 72.22 H new ATOM 559 N THR A 42 -1.108 4.658 -4.385 1.00 70.43 N ATOM 560 CA THR A 42 -1.480 5.885 -5.077 1.00 3.43 C ATOM 561 C THR A 42 -1.295 7.101 -4.177 1.00 14.41 C ATOM 562 O THR A 42 -0.753 8.123 -4.599 1.00 23.45 O ATOM 563 CB THR A 42 -2.940 5.836 -5.563 1.00 55.34 C ATOM 564 OG1 THR A 42 -3.098 4.797 -6.536 1.00 75.32 O ATOM 565 CG2 THR A 42 -3.355 7.169 -6.166 1.00 42.43 C ATOM 0 H THR A 42 -1.865 3.980 -4.294 1.00 70.43 H new ATOM 0 HA THR A 42 -0.821 5.973 -5.941 1.00 3.43 H new ATOM 0 HB THR A 42 -3.578 5.629 -4.704 1.00 55.34 H new ATOM 0 HG1 THR A 42 -3.049 3.924 -6.093 1.00 75.32 H new ATOM 0 HG21 THR A 42 -4.390 7.110 -6.502 1.00 42.43 H new ATOM 0 HG22 THR A 42 -3.262 7.953 -5.415 1.00 42.43 H new ATOM 0 HG23 THR A 42 -2.711 7.401 -7.014 1.00 42.43 H new ATOM 573 N TYR A 43 -1.751 6.985 -2.934 1.00 43.11 N ATOM 574 CA TYR A 43 -1.638 8.077 -1.974 1.00 4.25 C ATOM 575 C TYR A 43 -0.182 8.502 -1.803 1.00 55.44 C ATOM 576 O TYR A 43 0.125 9.693 -1.761 1.00 3.33 O ATOM 577 CB TYR A 43 -2.220 7.658 -0.623 1.00 31.53 C ATOM 578 CG TYR A 43 -3.718 7.452 -0.647 1.00 63.12 C ATOM 579 CD1 TYR A 43 -4.548 8.328 -1.337 1.00 31.34 C ATOM 580 CD2 TYR A 43 -4.302 6.382 0.018 1.00 32.41 C ATOM 581 CE1 TYR A 43 -5.917 8.144 -1.361 1.00 42.12 C ATOM 582 CE2 TYR A 43 -5.670 6.190 -0.001 1.00 75.44 C ATOM 583 CZ TYR A 43 -6.473 7.074 -0.691 1.00 71.44 C ATOM 584 OH TYR A 43 -7.836 6.887 -0.714 1.00 63.42 O ATOM 0 H TYR A 43 -2.202 6.146 -2.568 1.00 43.11 H new ATOM 0 HA TYR A 43 -2.204 8.926 -2.358 1.00 4.25 H new ATOM 0 HB2 TYR A 43 -1.740 6.734 -0.301 1.00 31.53 H new ATOM 0 HB3 TYR A 43 -1.978 8.419 0.119 1.00 31.53 H new ATOM 0 HD1 TYR A 43 -4.115 9.166 -1.863 1.00 31.34 H new ATOM 0 HD2 TYR A 43 -3.676 5.688 0.559 1.00 32.41 H new ATOM 0 HE1 TYR A 43 -6.548 8.834 -1.901 1.00 42.12 H new ATOM 0 HE2 TYR A 43 -6.108 5.352 0.521 1.00 75.44 H new ATOM 0 HH TYR A 43 -8.065 6.088 -0.195 1.00 63.42 H new ATOM 594 N ALA A 44 0.707 7.521 -1.704 1.00 5.31 N ATOM 595 CA ALA A 44 2.130 7.792 -1.540 1.00 3.11 C ATOM 596 C ALA A 44 2.718 8.421 -2.799 1.00 62.13 C ATOM 597 O ALA A 44 3.694 9.168 -2.734 1.00 34.42 O ATOM 598 CB ALA A 44 2.876 6.513 -1.190 1.00 75.12 C ATOM 0 H ALA A 44 0.467 6.530 -1.734 1.00 5.31 H new ATOM 0 HA ALA A 44 2.246 8.502 -0.721 1.00 3.11 H new ATOM 0 HB1 ALA A 44 3.937 6.732 -1.071 1.00 75.12 H new ATOM 0 HB2 ALA A 44 2.483 6.106 -0.259 1.00 75.12 H new ATOM 0 HB3 ALA A 44 2.743 5.784 -1.989 1.00 75.12 H new ATOM 604 N ASP A 45 2.118 8.113 -3.944 1.00 62.42 N ATOM 605 CA ASP A 45 2.581 8.648 -5.218 1.00 44.31 C ATOM 606 C ASP A 45 2.602 10.174 -5.192 1.00 72.15 C ATOM 607 O ASP A 45 3.566 10.800 -5.630 1.00 1.24 O ATOM 608 CB ASP A 45 1.687 8.157 -6.358 1.00 63.55 C ATOM 609 CG ASP A 45 2.471 7.855 -7.621 1.00 1.35 C ATOM 610 OD1 ASP A 45 3.274 8.715 -8.038 1.00 43.03 O ATOM 611 OD2 ASP A 45 2.283 6.760 -8.188 1.00 64.41 O ATOM 0 H ASP A 45 1.310 7.495 -4.015 1.00 62.42 H new ATOM 0 HA ASP A 45 3.597 8.291 -5.385 1.00 44.31 H new ATOM 0 HB2 ASP A 45 1.157 7.259 -6.039 1.00 63.55 H new ATOM 0 HB3 ASP A 45 0.932 8.913 -6.575 1.00 63.55 H new ATOM 616 N ASN A 46 1.528 10.766 -4.678 1.00 42.21 N ATOM 617 CA ASN A 46 1.422 12.217 -4.596 1.00 61.03 C ATOM 618 C ASN A 46 2.524 12.795 -3.714 1.00 10.54 C ATOM 619 O ASN A 46 3.011 13.901 -3.955 1.00 63.44 O ATOM 620 CB ASN A 46 0.052 12.619 -4.046 1.00 31.30 C ATOM 621 CG ASN A 46 -1.030 12.583 -5.108 1.00 72.55 C ATOM 622 OD1 ASN A 46 -0.764 12.810 -6.290 1.00 11.32 O ATOM 623 ND2 ASN A 46 -2.258 12.298 -4.693 1.00 72.22 N ATOM 0 H ASN A 46 0.720 10.263 -4.312 1.00 42.21 H new ATOM 0 HA ASN A 46 1.536 12.621 -5.602 1.00 61.03 H new ATOM 0 HB2 ASN A 46 -0.220 11.949 -3.231 1.00 31.30 H new ATOM 0 HB3 ASN A 46 0.112 13.623 -3.626 1.00 31.30 H new ATOM 0 HD21 ASN A 46 -3.027 12.260 -5.362 1.00 72.22 H new ATOM 0 HD22 ASN A 46 -2.433 12.117 -3.705 1.00 72.22 H new ATOM 630 N ILE A 47 2.913 12.041 -2.692 1.00 31.33 N ATOM 631 CA ILE A 47 3.960 12.477 -1.776 1.00 75.31 C ATOM 632 C ILE A 47 5.290 12.647 -2.500 1.00 24.45 C ATOM 633 O ILE A 47 5.976 13.656 -2.334 1.00 51.10 O ATOM 634 CB ILE A 47 4.144 11.479 -0.615 1.00 50.52 C ATOM 635 CG1 ILE A 47 2.785 11.087 -0.032 1.00 21.31 C ATOM 636 CG2 ILE A 47 5.035 12.080 0.462 1.00 73.23 C ATOM 637 CD1 ILE A 47 1.955 12.269 0.418 1.00 31.35 C ATOM 0 H ILE A 47 2.519 11.125 -2.477 1.00 31.33 H new ATOM 0 HA ILE A 47 3.644 13.439 -1.372 1.00 75.31 H new ATOM 0 HB ILE A 47 4.627 10.580 -0.999 1.00 50.52 H new ATOM 0 HG12 ILE A 47 2.226 10.525 -0.781 1.00 21.31 H new ATOM 0 HG13 ILE A 47 2.941 10.420 0.816 1.00 21.31 H new ATOM 0 HG21 ILE A 47 5.156 11.364 1.275 1.00 73.23 H new ATOM 0 HG22 ILE A 47 6.011 12.315 0.037 1.00 73.23 H new ATOM 0 HG23 ILE A 47 4.577 12.992 0.846 1.00 73.23 H new ATOM 0 HD11 ILE A 47 1.006 11.915 0.820 1.00 31.35 H new ATOM 0 HD12 ILE A 47 2.493 12.819 1.190 1.00 31.35 H new ATOM 0 HD13 ILE A 47 1.767 12.926 -0.431 1.00 31.35 H new ATOM 649 N LEU A 48 5.649 11.654 -3.307 1.00 31.13 N ATOM 650 CA LEU A 48 6.897 11.694 -4.061 1.00 5.14 C ATOM 651 C LEU A 48 6.843 12.761 -5.149 1.00 74.21 C ATOM 652 O LEU A 48 7.860 13.366 -5.490 1.00 14.21 O ATOM 653 CB LEU A 48 7.182 10.326 -4.686 1.00 15.53 C ATOM 654 CG LEU A 48 7.135 9.130 -3.734 1.00 42.40 C ATOM 655 CD1 LEU A 48 6.678 7.880 -4.470 1.00 5.23 C ATOM 656 CD2 LEU A 48 8.495 8.906 -3.091 1.00 62.02 C ATOM 0 H LEU A 48 5.093 10.812 -3.456 1.00 31.13 H new ATOM 0 HA LEU A 48 7.702 11.947 -3.370 1.00 5.14 H new ATOM 0 HB2 LEU A 48 6.461 10.157 -5.486 1.00 15.53 H new ATOM 0 HB3 LEU A 48 8.169 10.358 -5.148 1.00 15.53 H new ATOM 0 HG LEU A 48 6.414 9.346 -2.945 1.00 42.40 H new ATOM 0 HD11 LEU A 48 6.651 7.039 -3.777 1.00 5.23 H new ATOM 0 HD12 LEU A 48 5.682 8.044 -4.881 1.00 5.23 H new ATOM 0 HD13 LEU A 48 7.373 7.660 -5.280 1.00 5.23 H new ATOM 0 HD21 LEU A 48 8.442 8.051 -2.417 1.00 62.02 H new ATOM 0 HD22 LEU A 48 9.236 8.712 -3.866 1.00 62.02 H new ATOM 0 HD23 LEU A 48 8.782 9.794 -2.529 1.00 62.02 H new ATOM 668 N ARG A 49 5.651 12.989 -5.689 1.00 32.24 N ATOM 669 CA ARG A 49 5.463 13.984 -6.737 1.00 61.31 C ATOM 670 C ARG A 49 5.734 15.389 -6.207 1.00 3.34 C ATOM 671 O ARG A 49 6.413 16.187 -6.854 1.00 34.23 O ATOM 672 CB ARG A 49 4.042 13.905 -7.298 1.00 50.00 C ATOM 673 CG ARG A 49 3.823 12.731 -8.238 1.00 40.01 C ATOM 674 CD ARG A 49 4.699 12.838 -9.476 1.00 31.33 C ATOM 675 NE ARG A 49 3.909 12.957 -10.698 1.00 55.00 N ATOM 676 CZ ARG A 49 4.437 12.992 -11.915 1.00 65.13 C ATOM 677 NH1 ARG A 49 5.751 12.915 -12.074 1.00 32.02 N ATOM 678 NH2 ARG A 49 3.651 13.102 -12.979 1.00 32.13 N ATOM 0 H ARG A 49 4.800 12.497 -5.418 1.00 32.24 H new ATOM 0 HA ARG A 49 6.173 13.771 -7.536 1.00 61.31 H new ATOM 0 HB2 ARG A 49 3.337 13.833 -6.470 1.00 50.00 H new ATOM 0 HB3 ARG A 49 3.818 14.831 -7.828 1.00 50.00 H new ATOM 0 HG2 ARG A 49 4.042 11.800 -7.716 1.00 40.01 H new ATOM 0 HG3 ARG A 49 2.775 12.692 -8.535 1.00 40.01 H new ATOM 0 HD2 ARG A 49 5.354 13.704 -9.382 1.00 31.33 H new ATOM 0 HD3 ARG A 49 5.340 11.959 -9.543 1.00 31.33 H new ATOM 0 HE ARG A 49 2.894 13.017 -10.611 1.00 55.00 H new ATOM 0 HH11 ARG A 49 6.359 12.829 -11.260 1.00 32.02 H new ATOM 0 HH12 ARG A 49 6.154 12.942 -13.011 1.00 32.02 H new ATOM 0 HH21 ARG A 49 2.639 13.160 -12.862 1.00 32.13 H new ATOM 0 HH22 ARG A 49 4.059 13.129 -13.914 1.00 32.13 H new ATOM 692 N ASN A 50 5.200 15.685 -5.027 1.00 52.02 N ATOM 693 CA ASN A 50 5.383 16.994 -4.410 1.00 25.44 C ATOM 694 C ASN A 50 5.534 16.867 -2.897 1.00 30.52 C ATOM 695 O ASN A 50 4.672 17.285 -2.125 1.00 72.13 O ATOM 696 CB ASN A 50 4.201 17.906 -4.741 1.00 44.13 C ATOM 697 CG ASN A 50 3.809 17.838 -6.206 1.00 3.05 C ATOM 698 OD1 ASN A 50 3.023 16.829 -6.560 1.00 64.55 O flip ATOM 699 ND2 ASN A 50 4.210 18.683 -7.006 1.00 72.23 N flip ATOM 0 H ASN A 50 4.636 15.036 -4.478 1.00 52.02 H new ATOM 0 HA ASN A 50 6.296 17.433 -4.812 1.00 25.44 H new ATOM 0 HB2 ASN A 50 3.346 17.626 -4.126 1.00 44.13 H new ATOM 0 HB3 ASN A 50 4.456 18.934 -4.483 1.00 44.13 H new ATOM 0 HD21 ASN A 50 4.813 19.441 -6.687 1.00 72.23 H new ATOM 0 HD22 ASN A 50 3.939 18.625 -7.988 1.00 72.23 H new ATOM 706 N PRO A 51 6.656 16.275 -2.462 1.00 62.22 N ATOM 707 CA PRO A 51 6.947 16.079 -1.039 1.00 23.01 C ATOM 708 C PRO A 51 7.246 17.392 -0.322 1.00 75.14 C ATOM 709 O PRO A 51 6.972 17.535 0.869 1.00 53.52 O ATOM 710 CB PRO A 51 8.189 15.183 -1.051 1.00 74.03 C ATOM 711 CG PRO A 51 8.842 15.459 -2.361 1.00 10.31 C ATOM 712 CD PRO A 51 7.728 15.751 -3.327 1.00 74.34 C ATOM 0 HA PRO A 51 6.099 15.650 -0.505 1.00 23.01 H new ATOM 0 HB2 PRO A 51 8.854 15.417 -0.220 1.00 74.03 H new ATOM 0 HB3 PRO A 51 7.919 14.131 -0.957 1.00 74.03 H new ATOM 0 HG2 PRO A 51 9.525 16.305 -2.286 1.00 10.31 H new ATOM 0 HG3 PRO A 51 9.430 14.603 -2.691 1.00 10.31 H new ATOM 0 HD2 PRO A 51 8.029 16.479 -4.080 1.00 74.34 H new ATOM 0 HD3 PRO A 51 7.412 14.854 -3.860 1.00 74.34 H new ATOM 720 N SER A 52 7.804 18.348 -1.057 1.00 11.11 N ATOM 721 CA SER A 52 8.142 19.649 -0.491 1.00 15.42 C ATOM 722 C SER A 52 6.899 20.527 -0.368 1.00 1.34 C ATOM 723 O SER A 52 6.818 21.386 0.510 1.00 30.55 O ATOM 724 CB SER A 52 9.191 20.349 -1.356 1.00 21.12 C ATOM 725 OG SER A 52 10.474 19.783 -1.158 1.00 65.13 O ATOM 0 H SER A 52 8.032 18.246 -2.046 1.00 11.11 H new ATOM 0 HA SER A 52 8.553 19.488 0.506 1.00 15.42 H new ATOM 0 HB2 SER A 52 8.913 20.269 -2.407 1.00 21.12 H new ATOM 0 HB3 SER A 52 9.217 21.411 -1.113 1.00 21.12 H new ATOM 0 HG SER A 52 11.127 20.246 -1.723 1.00 65.13 H new ATOM 731 N ASP A 53 5.935 20.305 -1.254 1.00 62.54 N ATOM 732 CA ASP A 53 4.697 21.073 -1.247 1.00 35.15 C ATOM 733 C ASP A 53 3.864 20.749 -0.009 1.00 32.52 C ATOM 734 O ASP A 53 3.244 19.689 0.072 1.00 5.30 O ATOM 735 CB ASP A 53 3.885 20.788 -2.512 1.00 14.24 C ATOM 736 CG ASP A 53 4.487 21.436 -3.743 1.00 1.25 C ATOM 737 OD1 ASP A 53 5.718 21.337 -3.925 1.00 22.33 O ATOM 738 OD2 ASP A 53 3.725 22.042 -4.525 1.00 10.24 O ATOM 0 H ASP A 53 5.988 19.598 -1.987 1.00 62.54 H new ATOM 0 HA ASP A 53 4.956 22.132 -1.223 1.00 35.15 H new ATOM 0 HB2 ASP A 53 3.823 19.711 -2.665 1.00 14.24 H new ATOM 0 HB3 ASP A 53 2.866 21.150 -2.376 1.00 14.24 H new ATOM 743 N GLU A 54 3.856 21.669 0.950 1.00 14.15 N ATOM 744 CA GLU A 54 3.101 21.479 2.184 1.00 62.25 C ATOM 745 C GLU A 54 1.625 21.235 1.886 1.00 60.33 C ATOM 746 O GLU A 54 0.906 20.641 2.689 1.00 13.33 O ATOM 747 CB GLU A 54 3.254 22.698 3.095 1.00 41.35 C ATOM 748 CG GLU A 54 4.280 22.508 4.199 1.00 15.22 C ATOM 749 CD GLU A 54 4.449 23.747 5.058 1.00 62.32 C ATOM 750 OE1 GLU A 54 5.267 24.617 4.689 1.00 14.21 O ATOM 751 OE2 GLU A 54 3.765 23.846 6.097 1.00 75.31 O ATOM 0 H GLU A 54 4.363 22.553 0.897 1.00 14.15 H new ATOM 0 HA GLU A 54 3.501 20.602 2.693 1.00 62.25 H new ATOM 0 HB2 GLU A 54 3.538 23.559 2.491 1.00 41.35 H new ATOM 0 HB3 GLU A 54 2.288 22.929 3.544 1.00 41.35 H new ATOM 0 HG2 GLU A 54 3.979 21.671 4.830 1.00 15.22 H new ATOM 0 HG3 GLU A 54 5.240 22.244 3.756 1.00 15.22 H new ATOM 758 N LYS A 55 1.178 21.697 0.723 1.00 61.05 N ATOM 759 CA LYS A 55 -0.212 21.531 0.316 1.00 61.41 C ATOM 760 C LYS A 55 -0.453 20.129 -0.238 1.00 51.21 C ATOM 761 O LYS A 55 -1.577 19.629 -0.221 1.00 51.41 O ATOM 762 CB LYS A 55 -0.587 22.577 -0.736 1.00 11.31 C ATOM 763 CG LYS A 55 0.254 22.499 -1.999 1.00 55.10 C ATOM 764 CD LYS A 55 -0.314 21.494 -2.986 1.00 33.35 C ATOM 765 CE LYS A 55 -0.267 22.023 -4.410 1.00 32.41 C ATOM 766 NZ LYS A 55 0.951 21.565 -5.132 1.00 21.11 N ATOM 0 H LYS A 55 1.759 22.190 0.045 1.00 61.05 H new ATOM 0 HA LYS A 55 -0.840 21.669 1.196 1.00 61.41 H new ATOM 0 HB2 LYS A 55 -1.637 22.453 -1.001 1.00 11.31 H new ATOM 0 HB3 LYS A 55 -0.483 23.571 -0.301 1.00 11.31 H new ATOM 0 HG2 LYS A 55 0.302 23.482 -2.467 1.00 55.10 H new ATOM 0 HG3 LYS A 55 1.275 22.219 -1.740 1.00 55.10 H new ATOM 0 HD2 LYS A 55 0.250 20.563 -2.924 1.00 33.35 H new ATOM 0 HD3 LYS A 55 -1.344 21.261 -2.717 1.00 33.35 H new ATOM 0 HE2 LYS A 55 -1.155 21.693 -4.950 1.00 32.41 H new ATOM 0 HE3 LYS A 55 -0.291 23.113 -4.394 1.00 32.41 H new ATOM 0 HZ1 LYS A 55 1.062 22.113 -6.009 1.00 21.11 H new ATOM 0 HZ2 LYS A 55 1.786 21.705 -4.528 1.00 21.11 H new ATOM 0 HZ3 LYS A 55 0.858 20.556 -5.364 1.00 21.11 H new ATOM 780 N TYR A 56 0.612 19.502 -0.729 1.00 13.04 N ATOM 781 CA TYR A 56 0.515 18.159 -1.288 1.00 3.53 C ATOM 782 C TYR A 56 0.993 17.115 -0.283 1.00 71.44 C ATOM 783 O TYR A 56 1.262 15.969 -0.643 1.00 31.01 O ATOM 784 CB TYR A 56 1.339 18.060 -2.573 1.00 61.32 C ATOM 785 CG TYR A 56 0.579 17.462 -3.735 1.00 72.04 C ATOM 786 CD1 TYR A 56 -0.237 16.351 -3.557 1.00 32.32 C ATOM 787 CD2 TYR A 56 0.676 18.005 -5.010 1.00 52.23 C ATOM 788 CE1 TYR A 56 -0.934 15.800 -4.616 1.00 31.10 C ATOM 789 CE2 TYR A 56 -0.018 17.463 -6.073 1.00 23.22 C ATOM 790 CZ TYR A 56 -0.822 16.360 -5.872 1.00 5.13 C ATOM 791 OH TYR A 56 -1.513 15.814 -6.929 1.00 3.54 O ATOM 0 H TYR A 56 1.550 19.902 -0.751 1.00 13.04 H new ATOM 0 HA TYR A 56 -0.532 17.963 -1.518 1.00 3.53 H new ATOM 0 HB2 TYR A 56 1.685 19.056 -2.850 1.00 61.32 H new ATOM 0 HB3 TYR A 56 2.226 17.456 -2.380 1.00 61.32 H new ATOM 0 HD1 TYR A 56 -0.328 15.911 -2.575 1.00 32.32 H new ATOM 0 HD2 TYR A 56 1.306 18.867 -5.173 1.00 52.23 H new ATOM 0 HE1 TYR A 56 -1.563 14.936 -4.461 1.00 31.10 H new ATOM 0 HE2 TYR A 56 0.068 17.900 -7.057 1.00 23.22 H new ATOM 0 HH TYR A 56 -1.422 14.838 -6.910 1.00 3.54 H new ATOM 801 N ARG A 57 1.095 17.519 0.978 1.00 15.11 N ATOM 802 CA ARG A 57 1.539 16.620 2.035 1.00 71.00 C ATOM 803 C ARG A 57 0.349 15.940 2.708 1.00 42.02 C ATOM 804 O ARG A 57 0.477 15.374 3.793 1.00 13.12 O ATOM 805 CB ARG A 57 2.356 17.388 3.077 1.00 54.11 C ATOM 806 CG ARG A 57 1.506 18.178 4.057 1.00 74.34 C ATOM 807 CD ARG A 57 1.490 17.529 5.432 1.00 43.41 C ATOM 808 NE ARG A 57 2.381 18.210 6.368 1.00 1.25 N ATOM 809 CZ ARG A 57 2.126 19.404 6.890 1.00 4.54 C ATOM 810 NH1 ARG A 57 1.013 20.047 6.570 1.00 50.02 N ATOM 811 NH2 ARG A 57 2.988 19.956 7.734 1.00 14.32 N ATOM 0 H ARG A 57 0.876 18.464 1.293 1.00 15.11 H new ATOM 0 HA ARG A 57 2.167 15.852 1.583 1.00 71.00 H new ATOM 0 HB2 ARG A 57 2.975 16.683 3.632 1.00 54.11 H new ATOM 0 HB3 ARG A 57 3.033 18.071 2.564 1.00 54.11 H new ATOM 0 HG2 ARG A 57 1.892 19.194 4.138 1.00 74.34 H new ATOM 0 HG3 ARG A 57 0.487 18.253 3.678 1.00 74.34 H new ATOM 0 HD2 ARG A 57 0.474 17.539 5.826 1.00 43.41 H new ATOM 0 HD3 ARG A 57 1.787 16.484 5.343 1.00 43.41 H new ATOM 0 HE ARG A 57 3.247 17.742 6.635 1.00 1.25 H new ATOM 0 HH11 ARG A 57 0.349 19.625 5.921 1.00 50.02 H new ATOM 0 HH12 ARG A 57 0.820 20.964 6.973 1.00 50.02 H new ATOM 0 HH21 ARG A 57 3.846 19.463 7.982 1.00 14.32 H new ATOM 0 HH22 ARG A 57 2.793 20.873 8.135 1.00 14.32 H new ATOM 825 N SER A 58 -0.807 16.002 2.055 1.00 0.31 N ATOM 826 CA SER A 58 -2.020 15.396 2.590 1.00 13.01 C ATOM 827 C SER A 58 -2.686 14.501 1.549 1.00 21.05 C ATOM 828 O SER A 58 -2.455 14.648 0.349 1.00 52.35 O ATOM 829 CB SER A 58 -2.998 16.481 3.048 1.00 50.31 C ATOM 830 OG SER A 58 -2.717 16.895 4.373 1.00 42.13 O ATOM 0 H SER A 58 -0.929 16.466 1.155 1.00 0.31 H new ATOM 0 HA SER A 58 -1.742 14.782 3.447 1.00 13.01 H new ATOM 0 HB2 SER A 58 -2.937 17.337 2.376 1.00 50.31 H new ATOM 0 HB3 SER A 58 -4.019 16.103 2.991 1.00 50.31 H new ATOM 0 HG SER A 58 -3.354 17.589 4.641 1.00 42.13 H new ATOM 836 N ILE A 59 -3.512 13.572 2.019 1.00 44.24 N ATOM 837 CA ILE A 59 -4.212 12.653 1.130 1.00 55.42 C ATOM 838 C ILE A 59 -5.706 12.622 1.437 1.00 44.42 C ATOM 839 O ILE A 59 -6.121 12.190 2.511 1.00 12.40 O ATOM 840 CB ILE A 59 -3.648 11.224 1.239 1.00 11.53 C ATOM 841 CG1 ILE A 59 -3.284 10.906 2.691 1.00 11.41 C ATOM 842 CG2 ILE A 59 -2.435 11.063 0.336 1.00 71.31 C ATOM 843 CD1 ILE A 59 -3.008 9.439 2.937 1.00 45.55 C ATOM 0 H ILE A 59 -3.713 13.436 3.010 1.00 44.24 H new ATOM 0 HA ILE A 59 -4.059 13.019 0.115 1.00 55.42 H new ATOM 0 HB ILE A 59 -4.414 10.521 0.913 1.00 11.53 H new ATOM 0 HG12 ILE A 59 -2.404 11.485 2.972 1.00 11.41 H new ATOM 0 HG13 ILE A 59 -4.098 11.228 3.340 1.00 11.41 H new ATOM 0 HG21 ILE A 59 -2.048 10.048 0.424 1.00 71.31 H new ATOM 0 HG22 ILE A 59 -2.723 11.253 -0.698 1.00 71.31 H new ATOM 0 HG23 ILE A 59 -1.663 11.773 0.634 1.00 71.31 H new ATOM 0 HD11 ILE A 59 -2.757 9.287 3.987 1.00 45.55 H new ATOM 0 HD12 ILE A 59 -3.894 8.855 2.688 1.00 45.55 H new ATOM 0 HD13 ILE A 59 -2.174 9.116 2.314 1.00 45.55 H new ATOM 855 N ARG A 60 -6.509 13.084 0.483 1.00 21.33 N ATOM 856 CA ARG A 60 -7.957 13.108 0.650 1.00 2.51 C ATOM 857 C ARG A 60 -8.546 11.708 0.502 1.00 44.14 C ATOM 858 O ARG A 60 -8.258 11.002 -0.466 1.00 11.24 O ATOM 859 CB ARG A 60 -8.592 14.051 -0.373 1.00 72.52 C ATOM 860 CG ARG A 60 -8.337 13.647 -1.817 1.00 14.33 C ATOM 861 CD ARG A 60 -7.705 14.781 -2.608 1.00 43.14 C ATOM 862 NE ARG A 60 -8.525 15.989 -2.584 1.00 65.23 N ATOM 863 CZ ARG A 60 -8.083 17.185 -2.958 1.00 12.31 C ATOM 864 NH1 ARG A 60 -6.835 17.332 -3.381 1.00 72.44 N ATOM 865 NH2 ARG A 60 -8.889 18.237 -2.907 1.00 12.34 N ATOM 0 H ARG A 60 -6.181 13.446 -0.412 1.00 21.33 H new ATOM 0 HA ARG A 60 -8.176 13.470 1.655 1.00 2.51 H new ATOM 0 HB2 ARG A 60 -9.668 14.089 -0.200 1.00 72.52 H new ATOM 0 HB3 ARG A 60 -8.207 15.058 -0.213 1.00 72.52 H new ATOM 0 HG2 ARG A 60 -7.683 12.775 -1.842 1.00 14.33 H new ATOM 0 HG3 ARG A 60 -9.277 13.354 -2.286 1.00 14.33 H new ATOM 0 HD2 ARG A 60 -6.720 15.004 -2.198 1.00 43.14 H new ATOM 0 HD3 ARG A 60 -7.557 14.464 -3.640 1.00 43.14 H new ATOM 0 HE ARG A 60 -9.490 15.910 -2.263 1.00 65.23 H new ATOM 0 HH11 ARG A 60 -6.211 16.526 -3.420 1.00 72.44 H new ATOM 0 HH12 ARG A 60 -6.499 18.251 -3.667 1.00 72.44 H new ATOM 0 HH21 ARG A 60 -9.849 18.128 -2.580 1.00 12.34 H new ATOM 0 HH22 ARG A 60 -8.549 19.155 -3.194 1.00 12.34 H new ATOM 879 N ILE A 61 -9.369 11.313 1.468 1.00 61.15 N ATOM 880 CA ILE A 61 -9.997 9.998 1.444 1.00 34.01 C ATOM 881 C ILE A 61 -11.443 10.072 1.924 1.00 1.20 C ATOM 882 O ILE A 61 -11.813 9.443 2.915 1.00 5.14 O ATOM 883 CB ILE A 61 -9.228 8.991 2.319 1.00 21.21 C ATOM 884 CG1 ILE A 61 -9.042 9.548 3.732 1.00 52.51 C ATOM 885 CG2 ILE A 61 -7.882 8.663 1.691 1.00 0.13 C ATOM 886 CD1 ILE A 61 -8.993 8.480 4.801 1.00 21.14 C ATOM 0 H ILE A 61 -9.616 11.884 2.276 1.00 61.15 H new ATOM 0 HA ILE A 61 -9.977 9.656 0.409 1.00 34.01 H new ATOM 0 HB ILE A 61 -9.809 8.071 2.385 1.00 21.21 H new ATOM 0 HG12 ILE A 61 -8.120 10.128 3.767 1.00 52.51 H new ATOM 0 HG13 ILE A 61 -9.859 10.235 3.953 1.00 52.51 H new ATOM 0 HG21 ILE A 61 -7.350 7.950 2.321 1.00 0.13 H new ATOM 0 HG22 ILE A 61 -8.037 8.229 0.703 1.00 0.13 H new ATOM 0 HG23 ILE A 61 -7.292 9.575 1.598 1.00 0.13 H new ATOM 0 HD11 ILE A 61 -8.859 8.948 5.777 1.00 21.14 H new ATOM 0 HD12 ILE A 61 -9.925 7.915 4.794 1.00 21.14 H new ATOM 0 HD13 ILE A 61 -8.159 7.806 4.604 1.00 21.14 H new ATOM 898 N GLY A 62 -12.258 10.843 1.212 1.00 53.44 N ATOM 899 CA GLY A 62 -13.655 10.983 1.580 1.00 50.34 C ATOM 900 C GLY A 62 -14.528 9.910 0.959 1.00 12.34 C ATOM 901 O GLY A 62 -15.664 9.704 1.385 1.00 2.13 O ATOM 0 H GLY A 62 -11.977 11.373 0.387 1.00 53.44 H new ATOM 0 HA2 GLY A 62 -13.748 10.940 2.665 1.00 50.34 H new ATOM 0 HA3 GLY A 62 -14.013 11.964 1.268 1.00 50.34 H new ATOM 905 N ASN A 63 -13.998 9.227 -0.049 1.00 4.21 N ATOM 906 CA ASN A 63 -14.738 8.171 -0.730 1.00 4.05 C ATOM 907 C ASN A 63 -15.295 7.164 0.273 1.00 73.50 C ATOM 908 O ASN A 63 -14.557 6.606 1.084 1.00 30.53 O ATOM 909 CB ASN A 63 -13.837 7.456 -1.739 1.00 44.42 C ATOM 910 CG ASN A 63 -13.153 8.422 -2.689 1.00 13.25 C ATOM 911 OD1 ASN A 63 -11.948 8.334 -2.922 1.00 72.42 O ATOM 912 ND2 ASN A 63 -13.924 9.351 -3.242 1.00 24.34 N ATOM 0 H ASN A 63 -13.058 9.386 -0.413 1.00 4.21 H new ATOM 0 HA ASN A 63 -15.572 8.630 -1.260 1.00 4.05 H new ATOM 0 HB2 ASN A 63 -13.082 6.881 -1.204 1.00 44.42 H new ATOM 0 HB3 ASN A 63 -14.431 6.745 -2.313 1.00 44.42 H new ATOM 0 HD21 ASN A 63 -13.521 10.029 -3.889 1.00 24.34 H new ATOM 0 HD22 ASN A 63 -14.919 9.387 -3.020 1.00 24.34 H new ATOM 919 N THR A 64 -16.603 6.937 0.209 1.00 10.23 N ATOM 920 CA THR A 64 -17.261 5.999 1.111 1.00 4.32 C ATOM 921 C THR A 64 -16.624 4.617 1.026 1.00 42.12 C ATOM 922 O THR A 64 -16.707 3.826 1.964 1.00 23.04 O ATOM 923 CB THR A 64 -18.764 5.880 0.799 1.00 22.35 C ATOM 924 OG1 THR A 64 -19.119 6.783 -0.253 1.00 55.23 O ATOM 925 CG2 THR A 64 -19.599 6.179 2.036 1.00 60.21 C ATOM 0 H THR A 64 -17.228 7.390 -0.458 1.00 10.23 H new ATOM 0 HA THR A 64 -17.138 6.391 2.120 1.00 4.32 H new ATOM 0 HB THR A 64 -18.967 4.857 0.482 1.00 22.35 H new ATOM 0 HG1 THR A 64 -20.076 6.700 -0.446 1.00 55.23 H new ATOM 0 HG21 THR A 64 -20.657 6.089 1.791 1.00 60.21 H new ATOM 0 HG22 THR A 64 -19.347 5.470 2.825 1.00 60.21 H new ATOM 0 HG23 THR A 64 -19.391 7.193 2.379 1.00 60.21 H new ATOM 933 N ALA A 65 -15.987 4.333 -0.106 1.00 63.24 N ATOM 934 CA ALA A 65 -15.333 3.047 -0.313 1.00 31.33 C ATOM 935 C ALA A 65 -14.248 2.808 0.730 1.00 12.30 C ATOM 936 O ALA A 65 -14.002 1.673 1.139 1.00 73.03 O ATOM 937 CB ALA A 65 -14.747 2.972 -1.714 1.00 24.00 C ATOM 0 H ALA A 65 -15.910 4.977 -0.894 1.00 63.24 H new ATOM 0 HA ALA A 65 -16.084 2.264 -0.203 1.00 31.33 H new ATOM 0 HB1 ALA A 65 -14.262 2.006 -1.854 1.00 24.00 H new ATOM 0 HB2 ALA A 65 -15.544 3.088 -2.448 1.00 24.00 H new ATOM 0 HB3 ALA A 65 -14.014 3.768 -1.845 1.00 24.00 H new ATOM 943 N PHE A 66 -13.598 3.886 1.159 1.00 73.43 N ATOM 944 CA PHE A 66 -12.537 3.794 2.155 1.00 22.30 C ATOM 945 C PHE A 66 -13.088 3.318 3.495 1.00 45.31 C ATOM 946 O PHE A 66 -12.501 2.458 4.151 1.00 11.41 O ATOM 947 CB PHE A 66 -11.849 5.149 2.325 1.00 1.01 C ATOM 948 CG PHE A 66 -11.009 5.244 3.566 1.00 42.54 C ATOM 949 CD1 PHE A 66 -9.678 4.859 3.549 1.00 20.21 C ATOM 950 CD2 PHE A 66 -11.550 5.717 4.751 1.00 41.02 C ATOM 951 CE1 PHE A 66 -8.903 4.944 4.689 1.00 11.45 C ATOM 952 CE2 PHE A 66 -10.778 5.806 5.894 1.00 51.25 C ATOM 953 CZ PHE A 66 -9.455 5.418 5.863 1.00 5.13 C ATOM 0 H PHE A 66 -13.788 4.833 0.832 1.00 73.43 H new ATOM 0 HA PHE A 66 -11.806 3.065 1.804 1.00 22.30 H new ATOM 0 HB2 PHE A 66 -11.220 5.340 1.455 1.00 1.01 H new ATOM 0 HB3 PHE A 66 -12.607 5.932 2.348 1.00 1.01 H new ATOM 0 HD1 PHE A 66 -9.241 4.488 2.633 1.00 20.21 H new ATOM 0 HD2 PHE A 66 -12.586 6.019 4.782 1.00 41.02 H new ATOM 0 HE1 PHE A 66 -7.867 4.640 4.663 1.00 11.45 H new ATOM 0 HE2 PHE A 66 -11.210 6.179 6.811 1.00 51.25 H new ATOM 0 HZ PHE A 66 -8.851 5.485 6.756 1.00 5.13 H new ATOM 963 N SER A 67 -14.220 3.886 3.897 1.00 74.44 N ATOM 964 CA SER A 67 -14.850 3.523 5.161 1.00 53.54 C ATOM 965 C SER A 67 -15.483 2.138 5.076 1.00 33.24 C ATOM 966 O SER A 67 -15.718 1.486 6.095 1.00 25.34 O ATOM 967 CB SER A 67 -15.912 4.558 5.541 1.00 31.34 C ATOM 968 OG SER A 67 -16.630 4.153 6.695 1.00 61.14 O ATOM 0 H SER A 67 -14.720 4.599 3.366 1.00 74.44 H new ATOM 0 HA SER A 67 -14.078 3.504 5.930 1.00 53.54 H new ATOM 0 HB2 SER A 67 -15.436 5.521 5.725 1.00 31.34 H new ATOM 0 HB3 SER A 67 -16.603 4.697 4.709 1.00 31.34 H new ATOM 0 HG SER A 67 -17.301 4.832 6.918 1.00 61.14 H new ATOM 974 N THR A 68 -15.755 1.692 3.855 1.00 1.41 N ATOM 975 CA THR A 68 -16.361 0.383 3.635 1.00 52.42 C ATOM 976 C THR A 68 -15.300 -0.710 3.582 1.00 61.54 C ATOM 977 O THR A 68 -15.477 -1.786 4.154 1.00 41.54 O ATOM 978 CB THR A 68 -17.179 0.356 2.330 1.00 24.55 C ATOM 979 OG1 THR A 68 -16.311 0.536 1.204 1.00 31.41 O ATOM 980 CG2 THR A 68 -18.243 1.442 2.334 1.00 33.21 C ATOM 0 H THR A 68 -15.566 2.217 3.002 1.00 1.41 H new ATOM 0 HA THR A 68 -17.029 0.196 4.476 1.00 52.42 H new ATOM 0 HB THR A 68 -17.673 -0.613 2.258 1.00 24.55 H new ATOM 0 HG1 THR A 68 -15.492 0.992 1.492 1.00 31.41 H new ATOM 0 HG21 THR A 68 -18.807 1.402 1.402 1.00 33.21 H new ATOM 0 HG22 THR A 68 -18.919 1.286 3.174 1.00 33.21 H new ATOM 0 HG23 THR A 68 -17.767 2.418 2.428 1.00 33.21 H new ATOM 988 N ARG A 69 -14.200 -0.428 2.892 1.00 21.31 N ATOM 989 CA ARG A 69 -13.113 -1.390 2.763 1.00 4.22 C ATOM 990 C ARG A 69 -11.758 -0.694 2.859 1.00 42.43 C ATOM 991 O ARG A 69 -11.125 -0.402 1.843 1.00 10.32 O ATOM 992 CB ARG A 69 -13.219 -2.140 1.435 1.00 75.54 C ATOM 993 CG ARG A 69 -12.041 -3.058 1.156 1.00 15.23 C ATOM 994 CD ARG A 69 -11.208 -2.558 -0.013 1.00 42.04 C ATOM 995 NE ARG A 69 -10.770 -3.648 -0.880 1.00 64.12 N ATOM 996 CZ ARG A 69 -11.582 -4.313 -1.692 1.00 71.24 C ATOM 997 NH1 ARG A 69 -12.870 -4.000 -1.750 1.00 40.42 N ATOM 998 NH2 ARG A 69 -11.109 -5.292 -2.452 1.00 21.51 N ATOM 0 H ARG A 69 -14.038 0.458 2.414 1.00 21.31 H new ATOM 0 HA ARG A 69 -13.196 -2.104 3.582 1.00 4.22 H new ATOM 0 HB2 ARG A 69 -14.136 -2.729 1.433 1.00 75.54 H new ATOM 0 HB3 ARG A 69 -13.304 -1.416 0.625 1.00 75.54 H new ATOM 0 HG2 ARG A 69 -11.415 -3.129 2.046 1.00 15.23 H new ATOM 0 HG3 ARG A 69 -12.405 -4.063 0.941 1.00 15.23 H new ATOM 0 HD2 ARG A 69 -11.792 -1.845 -0.595 1.00 42.04 H new ATOM 0 HD3 ARG A 69 -10.337 -2.024 0.365 1.00 42.04 H new ATOM 0 HE ARG A 69 -9.785 -3.913 -0.860 1.00 64.12 H new ATOM 0 HH11 ARG A 69 -13.238 -3.246 -1.170 1.00 40.42 H new ATOM 0 HH12 ARG A 69 -13.492 -4.513 -2.375 1.00 40.42 H new ATOM 0 HH21 ARG A 69 -10.119 -5.535 -2.413 1.00 21.51 H new ATOM 0 HH22 ARG A 69 -11.735 -5.802 -3.075 1.00 21.51 H new ATOM 1012 N LEU A 70 -11.319 -0.433 4.085 1.00 40.50 N ATOM 1013 CA LEU A 70 -10.038 0.230 4.314 1.00 73.12 C ATOM 1014 C LEU A 70 -9.849 0.550 5.794 1.00 1.21 C ATOM 1015 O LEU A 70 -8.803 0.257 6.374 1.00 40.31 O ATOM 1016 CB LEU A 70 -9.951 1.513 3.487 1.00 23.41 C ATOM 1017 CG LEU A 70 -8.755 1.620 2.539 1.00 70.20 C ATOM 1018 CD1 LEU A 70 -9.177 2.242 1.217 1.00 51.41 C ATOM 1019 CD2 LEU A 70 -7.638 2.429 3.181 1.00 50.53 C ATOM 0 H LEU A 70 -11.830 -0.670 4.936 1.00 40.50 H new ATOM 0 HA LEU A 70 -9.244 -0.449 4.003 1.00 73.12 H new ATOM 0 HB2 LEU A 70 -10.864 1.606 2.899 1.00 23.41 H new ATOM 0 HB3 LEU A 70 -9.924 2.361 4.171 1.00 23.41 H new ATOM 0 HG LEU A 70 -8.380 0.616 2.340 1.00 70.20 H new ATOM 0 HD11 LEU A 70 -8.314 2.310 0.555 1.00 51.41 H new ATOM 0 HD12 LEU A 70 -9.943 1.622 0.751 1.00 51.41 H new ATOM 0 HD13 LEU A 70 -9.577 3.240 1.396 1.00 51.41 H new ATOM 0 HD21 LEU A 70 -6.795 2.495 2.493 1.00 50.53 H new ATOM 0 HD22 LEU A 70 -8.000 3.432 3.409 1.00 50.53 H new ATOM 0 HD23 LEU A 70 -7.318 1.941 4.101 1.00 50.53 H new ATOM 1031 N LEU A 71 -10.868 1.151 6.399 1.00 45.51 N ATOM 1032 CA LEU A 71 -10.814 1.511 7.811 1.00 43.12 C ATOM 1033 C LEU A 71 -11.125 0.305 8.691 1.00 14.00 C ATOM 1034 O LEU A 71 -10.312 -0.124 9.510 1.00 2.41 O ATOM 1035 CB LEU A 71 -11.801 2.642 8.108 1.00 60.13 C ATOM 1036 CG LEU A 71 -11.198 3.928 8.674 1.00 20.45 C ATOM 1037 CD1 LEU A 71 -12.272 4.988 8.852 1.00 73.31 C ATOM 1038 CD2 LEU A 71 -10.497 3.650 9.996 1.00 3.12 C ATOM 0 H LEU A 71 -11.741 1.399 5.934 1.00 45.51 H new ATOM 0 HA LEU A 71 -9.803 1.852 8.036 1.00 43.12 H new ATOM 0 HB2 LEU A 71 -12.330 2.887 7.187 1.00 60.13 H new ATOM 0 HB3 LEU A 71 -12.545 2.272 8.814 1.00 60.13 H new ATOM 0 HG LEU A 71 -10.460 4.304 7.965 1.00 20.45 H new ATOM 0 HD11 LEU A 71 -11.824 5.896 9.256 1.00 73.31 H new ATOM 0 HD12 LEU A 71 -12.730 5.207 7.888 1.00 73.31 H new ATOM 0 HD13 LEU A 71 -13.034 4.622 9.541 1.00 73.31 H new ATOM 0 HD21 LEU A 71 -10.073 4.576 10.385 1.00 3.12 H new ATOM 0 HD22 LEU A 71 -11.215 3.251 10.712 1.00 3.12 H new ATOM 0 HD23 LEU A 71 -9.699 2.924 9.839 1.00 3.12 H new ATOM 1050 N PRO A 72 -12.330 -0.258 8.520 1.00 74.11 N ATOM 1051 CA PRO A 72 -12.776 -1.425 9.287 1.00 74.23 C ATOM 1052 C PRO A 72 -12.021 -2.693 8.906 1.00 70.51 C ATOM 1053 O PRO A 72 -12.112 -3.712 9.590 1.00 10.24 O ATOM 1054 CB PRO A 72 -14.255 -1.551 8.915 1.00 61.53 C ATOM 1055 CG PRO A 72 -14.364 -0.911 7.574 1.00 31.43 C ATOM 1056 CD PRO A 72 -13.351 0.200 7.563 1.00 60.34 C ATOM 0 HA PRO A 72 -12.601 -1.301 10.356 1.00 74.23 H new ATOM 0 HB2 PRO A 72 -14.567 -2.595 8.882 1.00 61.53 H new ATOM 0 HB3 PRO A 72 -14.891 -1.051 9.645 1.00 61.53 H new ATOM 0 HG2 PRO A 72 -14.163 -1.631 6.780 1.00 31.43 H new ATOM 0 HG3 PRO A 72 -15.369 -0.524 7.406 1.00 31.43 H new ATOM 0 HD2 PRO A 72 -12.931 0.350 6.569 1.00 60.34 H new ATOM 0 HD3 PRO A 72 -13.792 1.149 7.869 1.00 60.34 H new ATOM 1064 N VAL A 73 -11.273 -2.624 7.809 1.00 71.01 N ATOM 1065 CA VAL A 73 -10.500 -3.767 7.338 1.00 22.20 C ATOM 1066 C VAL A 73 -9.098 -3.766 7.936 1.00 41.30 C ATOM 1067 O VAL A 73 -8.454 -2.721 8.034 1.00 21.31 O ATOM 1068 CB VAL A 73 -10.391 -3.774 5.801 1.00 21.45 C ATOM 1069 CG1 VAL A 73 -11.755 -3.551 5.167 1.00 32.30 C ATOM 1070 CG2 VAL A 73 -9.397 -2.722 5.333 1.00 44.24 C ATOM 0 H VAL A 73 -11.186 -1.789 7.230 1.00 71.01 H new ATOM 0 HA VAL A 73 -11.029 -4.663 7.662 1.00 22.20 H new ATOM 0 HB VAL A 73 -10.027 -4.751 5.485 1.00 21.45 H new ATOM 0 HG11 VAL A 73 -11.657 -3.559 4.081 1.00 32.30 H new ATOM 0 HG12 VAL A 73 -12.434 -4.345 5.476 1.00 32.30 H new ATOM 0 HG13 VAL A 73 -12.153 -2.588 5.488 1.00 32.30 H new ATOM 0 HG21 VAL A 73 -9.332 -2.741 4.245 1.00 44.24 H new ATOM 0 HG22 VAL A 73 -9.729 -1.737 5.660 1.00 44.24 H new ATOM 0 HG23 VAL A 73 -8.416 -2.934 5.758 1.00 44.24 H new ATOM 1080 N ARG A 74 -8.630 -4.945 8.333 1.00 72.21 N ATOM 1081 CA ARG A 74 -7.304 -5.080 8.924 1.00 31.53 C ATOM 1082 C ARG A 74 -6.225 -5.079 7.844 1.00 71.30 C ATOM 1083 O ARG A 74 -6.239 -5.912 6.939 1.00 72.43 O ATOM 1084 CB ARG A 74 -7.217 -6.369 9.744 1.00 40.23 C ATOM 1085 CG ARG A 74 -5.802 -6.726 10.169 1.00 64.52 C ATOM 1086 CD ARG A 74 -5.142 -5.585 10.929 1.00 72.43 C ATOM 1087 NE ARG A 74 -4.643 -6.013 12.232 1.00 54.50 N ATOM 1088 CZ ARG A 74 -3.580 -6.794 12.393 1.00 51.45 C ATOM 1089 NH1 ARG A 74 -2.908 -7.230 11.336 1.00 74.24 N ATOM 1090 NH2 ARG A 74 -3.189 -7.139 13.612 1.00 25.31 N ATOM 0 H ARG A 74 -9.149 -5.820 8.256 1.00 72.21 H new ATOM 0 HA ARG A 74 -7.138 -4.226 9.581 1.00 31.53 H new ATOM 0 HB2 ARG A 74 -7.839 -6.267 10.633 1.00 40.23 H new ATOM 0 HB3 ARG A 74 -7.630 -7.191 9.159 1.00 40.23 H new ATOM 0 HG2 ARG A 74 -5.824 -7.617 10.796 1.00 64.52 H new ATOM 0 HG3 ARG A 74 -5.207 -6.970 9.289 1.00 64.52 H new ATOM 0 HD2 ARG A 74 -4.318 -5.185 10.339 1.00 72.43 H new ATOM 0 HD3 ARG A 74 -5.860 -4.776 11.064 1.00 72.43 H new ATOM 0 HE ARG A 74 -5.138 -5.695 13.065 1.00 54.50 H new ATOM 0 HH11 ARG A 74 -3.207 -6.966 10.397 1.00 74.24 H new ATOM 0 HH12 ARG A 74 -2.092 -7.829 11.462 1.00 74.24 H new ATOM 0 HH21 ARG A 74 -3.704 -6.805 14.426 1.00 25.31 H new ATOM 0 HH22 ARG A 74 -2.373 -7.739 13.735 1.00 25.31 H new ATOM 1104 N GLY A 75 -5.293 -4.137 7.947 1.00 35.11 N ATOM 1105 CA GLY A 75 -4.222 -4.044 6.972 1.00 53.12 C ATOM 1106 C GLY A 75 -3.936 -2.614 6.559 1.00 52.23 C ATOM 1107 O GLY A 75 -2.796 -2.157 6.628 1.00 51.45 O ATOM 0 H GLY A 75 -5.260 -3.437 8.688 1.00 35.11 H new ATOM 0 HA2 GLY A 75 -3.317 -4.487 7.388 1.00 53.12 H new ATOM 0 HA3 GLY A 75 -4.486 -4.628 6.090 1.00 53.12 H new ATOM 1111 N ALA A 76 -4.975 -1.906 6.125 1.00 3.52 N ATOM 1112 CA ALA A 76 -4.830 -0.520 5.699 1.00 32.05 C ATOM 1113 C ALA A 76 -4.493 0.385 6.880 1.00 32.12 C ATOM 1114 O ALA A 76 -3.540 1.163 6.827 1.00 51.41 O ATOM 1115 CB ALA A 76 -6.101 -0.042 5.013 1.00 64.42 C ATOM 0 H ALA A 76 -5.926 -2.270 6.060 1.00 3.52 H new ATOM 0 HA ALA A 76 -4.005 -0.470 4.988 1.00 32.05 H new ATOM 0 HB1 ALA A 76 -5.978 0.995 4.700 1.00 64.42 H new ATOM 0 HB2 ALA A 76 -6.299 -0.663 4.140 1.00 64.42 H new ATOM 0 HB3 ALA A 76 -6.938 -0.115 5.707 1.00 64.42 H new ATOM 1121 N VAL A 77 -5.280 0.278 7.946 1.00 4.11 N ATOM 1122 CA VAL A 77 -5.066 1.086 9.140 1.00 4.21 C ATOM 1123 C VAL A 77 -3.676 0.850 9.721 1.00 24.11 C ATOM 1124 O VAL A 77 -2.956 1.795 10.038 1.00 42.42 O ATOM 1125 CB VAL A 77 -6.120 0.782 10.221 1.00 45.44 C ATOM 1126 CG1 VAL A 77 -5.916 1.679 11.433 1.00 42.20 C ATOM 1127 CG2 VAL A 77 -7.522 0.948 9.656 1.00 31.31 C ATOM 0 H VAL A 77 -6.072 -0.361 8.007 1.00 4.11 H new ATOM 0 HA VAL A 77 -5.158 2.129 8.837 1.00 4.21 H new ATOM 0 HB VAL A 77 -6.000 -0.253 10.541 1.00 45.44 H new ATOM 0 HG11 VAL A 77 -6.670 1.450 12.186 1.00 42.20 H new ATOM 0 HG12 VAL A 77 -4.923 1.508 11.849 1.00 42.20 H new ATOM 0 HG13 VAL A 77 -6.009 2.723 11.133 1.00 42.20 H new ATOM 0 HG21 VAL A 77 -8.255 0.730 10.432 1.00 31.31 H new ATOM 0 HG22 VAL A 77 -7.655 1.973 9.309 1.00 31.31 H new ATOM 0 HG23 VAL A 77 -7.662 0.261 8.821 1.00 31.31 H new ATOM 1137 N GLU A 78 -3.305 -0.421 9.856 1.00 43.52 N ATOM 1138 CA GLU A 78 -2.001 -0.782 10.399 1.00 55.11 C ATOM 1139 C GLU A 78 -0.881 -0.367 9.449 1.00 74.45 C ATOM 1140 O GLU A 78 0.226 -0.047 9.880 1.00 44.04 O ATOM 1141 CB GLU A 78 -1.931 -2.287 10.660 1.00 15.23 C ATOM 1142 CG GLU A 78 -0.729 -2.706 11.490 1.00 24.13 C ATOM 1143 CD GLU A 78 -0.742 -4.184 11.830 1.00 3.24 C ATOM 1144 OE1 GLU A 78 -0.698 -5.009 10.894 1.00 61.02 O ATOM 1145 OE2 GLU A 78 -0.794 -4.515 13.033 1.00 2.30 O ATOM 0 H GLU A 78 -3.889 -1.216 9.597 1.00 43.52 H new ATOM 0 HA GLU A 78 -1.870 -0.251 11.342 1.00 55.11 H new ATOM 0 HB2 GLU A 78 -2.841 -2.601 11.170 1.00 15.23 H new ATOM 0 HB3 GLU A 78 -1.903 -2.812 9.705 1.00 15.23 H new ATOM 0 HG2 GLU A 78 0.185 -2.470 10.944 1.00 24.13 H new ATOM 0 HG3 GLU A 78 -0.708 -2.125 12.412 1.00 24.13 H new ATOM 1152 N CYS A 79 -1.180 -0.375 8.154 1.00 22.24 N ATOM 1153 CA CYS A 79 -0.200 -0.002 7.141 1.00 22.12 C ATOM 1154 C CYS A 79 0.212 1.458 7.295 1.00 50.21 C ATOM 1155 O CYS A 79 1.401 1.779 7.335 1.00 32.44 O ATOM 1156 CB CYS A 79 -0.766 -0.240 5.740 1.00 2.41 C ATOM 1157 SG CYS A 79 0.308 0.331 4.403 1.00 40.03 S ATOM 0 H CYS A 79 -2.093 -0.636 7.782 1.00 22.24 H new ATOM 0 HA CYS A 79 0.683 -0.626 7.278 1.00 22.12 H new ATOM 0 HB2 CYS A 79 -0.952 -1.306 5.612 1.00 2.41 H new ATOM 0 HB3 CYS A 79 -1.729 0.264 5.658 1.00 2.41 H new ATOM 0 HG CYS A 79 0.455 -0.619 3.528 1.00 40.03 H new ATOM 1163 N LEU A 80 -0.777 2.341 7.379 1.00 14.21 N ATOM 1164 CA LEU A 80 -0.518 3.768 7.527 1.00 42.42 C ATOM 1165 C LEU A 80 0.040 4.081 8.912 1.00 33.02 C ATOM 1166 O LEU A 80 1.001 4.838 9.051 1.00 74.01 O ATOM 1167 CB LEU A 80 -1.801 4.567 7.290 1.00 22.13 C ATOM 1168 CG LEU A 80 -2.609 4.184 6.050 1.00 41.14 C ATOM 1169 CD1 LEU A 80 -4.069 3.953 6.413 1.00 24.04 C ATOM 1170 CD2 LEU A 80 -2.490 5.262 4.982 1.00 45.51 C ATOM 0 H LEU A 80 -1.766 2.093 7.347 1.00 14.21 H new ATOM 0 HA LEU A 80 0.225 4.055 6.783 1.00 42.42 H new ATOM 0 HB2 LEU A 80 -2.441 4.456 8.165 1.00 22.13 H new ATOM 0 HB3 LEU A 80 -1.540 5.623 7.217 1.00 22.13 H new ATOM 0 HG LEU A 80 -2.203 3.255 5.649 1.00 41.14 H new ATOM 0 HD11 LEU A 80 -4.628 3.681 5.518 1.00 24.04 H new ATOM 0 HD12 LEU A 80 -4.139 3.147 7.143 1.00 24.04 H new ATOM 0 HD13 LEU A 80 -4.487 4.865 6.839 1.00 24.04 H new ATOM 0 HD21 LEU A 80 -3.071 4.973 4.107 1.00 45.51 H new ATOM 0 HD22 LEU A 80 -2.869 6.206 5.374 1.00 45.51 H new ATOM 0 HD23 LEU A 80 -1.444 5.381 4.700 1.00 45.51 H new ATOM 1182 N PHE A 81 -0.570 3.490 9.936 1.00 22.22 N ATOM 1183 CA PHE A 81 -0.133 3.704 11.311 1.00 54.02 C ATOM 1184 C PHE A 81 1.315 3.261 11.497 1.00 41.11 C ATOM 1185 O PHE A 81 2.099 3.933 12.168 1.00 53.02 O ATOM 1186 CB PHE A 81 -1.040 2.942 12.280 1.00 12.25 C ATOM 1187 CG PHE A 81 -2.148 3.782 12.848 1.00 33.55 C ATOM 1188 CD1 PHE A 81 -3.223 4.159 12.060 1.00 61.01 C ATOM 1189 CD2 PHE A 81 -2.117 4.190 14.172 1.00 15.40 C ATOM 1190 CE1 PHE A 81 -4.244 4.931 12.580 1.00 41.03 C ATOM 1191 CE2 PHE A 81 -3.136 4.962 14.697 1.00 1.43 C ATOM 1192 CZ PHE A 81 -4.202 5.333 13.900 1.00 3.24 C ATOM 0 H PHE A 81 -1.367 2.861 9.839 1.00 22.22 H new ATOM 0 HA PHE A 81 -0.198 4.771 11.525 1.00 54.02 H new ATOM 0 HB2 PHE A 81 -1.472 2.085 11.763 1.00 12.25 H new ATOM 0 HB3 PHE A 81 -0.436 2.549 13.098 1.00 12.25 H new ATOM 0 HD1 PHE A 81 -3.264 3.846 11.027 1.00 61.01 H new ATOM 0 HD2 PHE A 81 -1.287 3.902 14.800 1.00 15.40 H new ATOM 0 HE1 PHE A 81 -5.075 5.220 11.954 1.00 41.03 H new ATOM 0 HE2 PHE A 81 -3.099 5.275 15.730 1.00 1.43 H new ATOM 0 HZ PHE A 81 -5.000 5.936 14.308 1.00 3.24 H new ATOM 1202 N GLU A 82 1.662 2.125 10.900 1.00 53.44 N ATOM 1203 CA GLU A 82 3.015 1.592 11.002 1.00 62.10 C ATOM 1204 C GLU A 82 4.003 2.468 10.237 1.00 0.14 C ATOM 1205 O GLU A 82 5.089 2.774 10.730 1.00 60.40 O ATOM 1206 CB GLU A 82 3.065 0.160 10.464 1.00 45.43 C ATOM 1207 CG GLU A 82 2.521 -0.874 11.435 1.00 54.43 C ATOM 1208 CD GLU A 82 3.535 -1.278 12.487 1.00 53.43 C ATOM 1209 OE1 GLU A 82 4.647 -1.702 12.106 1.00 73.31 O ATOM 1210 OE2 GLU A 82 3.220 -1.169 13.690 1.00 13.14 O ATOM 0 H GLU A 82 1.025 1.557 10.341 1.00 53.44 H new ATOM 0 HA GLU A 82 3.298 1.587 12.055 1.00 62.10 H new ATOM 0 HB2 GLU A 82 2.496 0.109 9.536 1.00 45.43 H new ATOM 0 HB3 GLU A 82 4.097 -0.091 10.219 1.00 45.43 H new ATOM 0 HG2 GLU A 82 1.634 -0.474 11.926 1.00 54.43 H new ATOM 0 HG3 GLU A 82 2.207 -1.758 10.880 1.00 54.43 H new ATOM 1217 N MET A 83 3.619 2.869 9.028 1.00 22.04 N ATOM 1218 CA MET A 83 4.472 3.708 8.196 1.00 43.35 C ATOM 1219 C MET A 83 4.723 5.057 8.863 1.00 44.31 C ATOM 1220 O MET A 83 5.794 5.644 8.713 1.00 52.13 O ATOM 1221 CB MET A 83 3.832 3.918 6.823 1.00 72.44 C ATOM 1222 CG MET A 83 4.840 4.200 5.719 1.00 73.33 C ATOM 1223 SD MET A 83 5.009 2.824 4.565 1.00 13.24 S ATOM 1224 CE MET A 83 3.339 2.707 3.929 1.00 32.22 C ATOM 0 H MET A 83 2.724 2.626 8.604 1.00 22.04 H new ATOM 0 HA MET A 83 5.428 3.200 8.070 1.00 43.35 H new ATOM 0 HB2 MET A 83 3.256 3.031 6.560 1.00 72.44 H new ATOM 0 HB3 MET A 83 3.129 4.748 6.882 1.00 72.44 H new ATOM 0 HG2 MET A 83 4.534 5.092 5.172 1.00 73.33 H new ATOM 0 HG3 MET A 83 5.811 4.416 6.165 1.00 73.33 H new ATOM 0 HE1 MET A 83 3.367 2.367 2.894 1.00 32.22 H new ATOM 0 HE2 MET A 83 2.770 1.997 4.529 1.00 32.22 H new ATOM 0 HE3 MET A 83 2.862 3.686 3.976 1.00 32.22 H new ATOM 1234 N GLY A 84 3.728 5.543 9.599 1.00 5.32 N ATOM 1235 CA GLY A 84 3.862 6.819 10.277 1.00 41.00 C ATOM 1236 C GLY A 84 2.729 7.771 9.951 1.00 0.42 C ATOM 1237 O GLY A 84 2.509 8.752 10.662 1.00 64.43 O ATOM 0 H GLY A 84 2.832 5.076 9.738 1.00 5.32 H new ATOM 0 HA2 GLY A 84 3.894 6.653 11.354 1.00 41.00 H new ATOM 0 HA3 GLY A 84 4.810 7.278 9.997 1.00 41.00 H new ATOM 1241 N PHE A 85 2.008 7.482 8.873 1.00 51.30 N ATOM 1242 CA PHE A 85 0.892 8.322 8.452 1.00 2.44 C ATOM 1243 C PHE A 85 -0.008 8.663 9.636 1.00 51.24 C ATOM 1244 O PHE A 85 0.049 8.014 10.680 1.00 45.52 O ATOM 1245 CB PHE A 85 0.079 7.618 7.364 1.00 11.13 C ATOM 1246 CG PHE A 85 0.499 7.984 5.970 1.00 63.32 C ATOM 1247 CD1 PHE A 85 0.124 9.199 5.416 1.00 4.03 C ATOM 1248 CD2 PHE A 85 1.266 7.115 5.212 1.00 13.43 C ATOM 1249 CE1 PHE A 85 0.509 9.539 4.133 1.00 44.42 C ATOM 1250 CE2 PHE A 85 1.655 7.451 3.928 1.00 15.44 C ATOM 1251 CZ PHE A 85 1.274 8.664 3.389 1.00 65.42 C ATOM 0 H PHE A 85 2.176 6.673 8.275 1.00 51.30 H new ATOM 0 HA PHE A 85 1.299 9.249 8.049 1.00 2.44 H new ATOM 0 HB2 PHE A 85 0.173 6.540 7.492 1.00 11.13 H new ATOM 0 HB3 PHE A 85 -0.975 7.863 7.493 1.00 11.13 H new ATOM 0 HD1 PHE A 85 -0.476 9.887 5.994 1.00 4.03 H new ATOM 0 HD2 PHE A 85 1.564 6.164 5.628 1.00 13.43 H new ATOM 0 HE1 PHE A 85 0.211 10.488 3.713 1.00 44.42 H new ATOM 0 HE2 PHE A 85 2.256 6.766 3.348 1.00 15.44 H new ATOM 0 HZ PHE A 85 1.575 8.928 2.386 1.00 65.42 H new ATOM 1261 N GLU A 86 -0.839 9.687 9.463 1.00 13.52 N ATOM 1262 CA GLU A 86 -1.749 10.116 10.518 1.00 15.34 C ATOM 1263 C GLU A 86 -3.203 9.974 10.074 1.00 25.13 C ATOM 1264 O GLU A 86 -3.636 10.621 9.121 1.00 41.01 O ATOM 1265 CB GLU A 86 -1.465 11.567 10.911 1.00 44.33 C ATOM 1266 CG GLU A 86 -2.295 12.054 12.087 1.00 3.40 C ATOM 1267 CD GLU A 86 -2.032 13.510 12.423 1.00 64.51 C ATOM 1268 OE1 GLU A 86 -0.923 13.997 12.122 1.00 72.34 O ATOM 1269 OE2 GLU A 86 -2.937 14.161 12.987 1.00 44.22 O ATOM 0 H GLU A 86 -0.900 10.233 8.604 1.00 13.52 H new ATOM 0 HA GLU A 86 -1.586 9.474 11.384 1.00 15.34 H new ATOM 0 HB2 GLU A 86 -0.408 11.667 11.157 1.00 44.33 H new ATOM 0 HB3 GLU A 86 -1.655 12.211 10.052 1.00 44.33 H new ATOM 0 HG2 GLU A 86 -3.353 11.923 11.860 1.00 3.40 H new ATOM 0 HG3 GLU A 86 -2.078 11.438 12.960 1.00 3.40 H new ATOM 1276 N GLU A 87 -3.948 9.123 10.771 1.00 23.44 N ATOM 1277 CA GLU A 87 -5.352 8.895 10.446 1.00 2.43 C ATOM 1278 C GLU A 87 -6.200 10.107 10.818 1.00 3.12 C ATOM 1279 O GLU A 87 -6.300 10.473 11.989 1.00 12.04 O ATOM 1280 CB GLU A 87 -5.870 7.652 11.173 1.00 71.22 C ATOM 1281 CG GLU A 87 -7.376 7.469 11.067 1.00 4.14 C ATOM 1282 CD GLU A 87 -8.101 7.850 12.343 1.00 2.11 C ATOM 1283 OE1 GLU A 87 -7.617 7.479 13.433 1.00 62.42 O ATOM 1284 OE2 GLU A 87 -9.151 8.518 12.251 1.00 51.53 O ATOM 0 H GLU A 87 -3.604 8.580 11.563 1.00 23.44 H new ATOM 0 HA GLU A 87 -5.429 8.737 9.370 1.00 2.43 H new ATOM 0 HB2 GLU A 87 -5.376 6.770 10.765 1.00 71.22 H new ATOM 0 HB3 GLU A 87 -5.593 7.715 12.225 1.00 71.22 H new ATOM 0 HG2 GLU A 87 -7.755 8.075 10.244 1.00 4.14 H new ATOM 0 HG3 GLU A 87 -7.596 6.429 10.825 1.00 4.14 H new ATOM 1291 N GLY A 88 -6.810 10.726 9.812 1.00 51.33 N ATOM 1292 CA GLY A 88 -7.641 11.892 10.055 1.00 42.15 C ATOM 1293 C GLY A 88 -9.119 11.556 10.068 1.00 32.50 C ATOM 1294 O GLY A 88 -9.495 10.388 10.158 1.00 71.23 O ATOM 0 H GLY A 88 -6.744 10.442 8.835 1.00 51.33 H new ATOM 0 HA2 GLY A 88 -7.364 12.339 11.010 1.00 42.15 H new ATOM 0 HA3 GLY A 88 -7.448 12.639 9.285 1.00 42.15 H new ATOM 1298 N GLU A 89 -9.959 12.583 9.980 1.00 1.20 N ATOM 1299 CA GLU A 89 -11.404 12.390 9.985 1.00 10.23 C ATOM 1300 C GLU A 89 -11.935 12.219 8.566 1.00 51.34 C ATOM 1301 O GLU A 89 -12.743 11.329 8.295 1.00 40.12 O ATOM 1302 CB GLU A 89 -12.096 13.575 10.663 1.00 21.20 C ATOM 1303 CG GLU A 89 -12.329 13.375 12.151 1.00 64.24 C ATOM 1304 CD GLU A 89 -12.752 14.651 12.852 1.00 74.13 C ATOM 1305 OE1 GLU A 89 -11.887 15.527 13.059 1.00 54.55 O ATOM 1306 OE2 GLU A 89 -13.947 14.771 13.195 1.00 4.20 O ATOM 0 H GLU A 89 -9.664 13.556 9.904 1.00 1.20 H new ATOM 0 HA GLU A 89 -11.622 11.482 10.547 1.00 10.23 H new ATOM 0 HB2 GLU A 89 -11.492 14.470 10.516 1.00 21.20 H new ATOM 0 HB3 GLU A 89 -13.054 13.753 10.175 1.00 21.20 H new ATOM 0 HG2 GLU A 89 -13.096 12.614 12.296 1.00 64.24 H new ATOM 0 HG3 GLU A 89 -11.415 12.998 12.611 1.00 64.24 H new ATOM 1313 N THR A 90 -11.477 13.081 7.662 1.00 73.40 N ATOM 1314 CA THR A 90 -11.908 13.027 6.270 1.00 42.02 C ATOM 1315 C THR A 90 -10.733 12.741 5.342 1.00 44.30 C ATOM 1316 O THR A 90 -10.913 12.238 4.232 1.00 11.44 O ATOM 1317 CB THR A 90 -12.579 14.345 5.839 1.00 41.11 C ATOM 1318 OG1 THR A 90 -12.089 15.428 6.637 1.00 64.15 O ATOM 1319 CG2 THR A 90 -14.091 14.253 5.975 1.00 53.41 C ATOM 0 H THR A 90 -10.809 13.823 7.869 1.00 73.40 H new ATOM 0 HA THR A 90 -12.633 12.217 6.194 1.00 42.02 H new ATOM 0 HB THR A 90 -12.335 14.525 4.792 1.00 41.11 H new ATOM 0 HG1 THR A 90 -12.519 16.262 6.356 1.00 64.15 H new ATOM 0 HG21 THR A 90 -14.542 15.196 5.665 1.00 53.41 H new ATOM 0 HG22 THR A 90 -14.465 13.447 5.344 1.00 53.41 H new ATOM 0 HG23 THR A 90 -14.351 14.051 7.014 1.00 53.41 H new ATOM 1327 N HIS A 91 -9.528 13.065 5.803 1.00 12.11 N ATOM 1328 CA HIS A 91 -8.322 12.840 5.013 1.00 55.44 C ATOM 1329 C HIS A 91 -7.132 12.529 5.917 1.00 61.32 C ATOM 1330 O HIS A 91 -7.156 12.814 7.114 1.00 55.53 O ATOM 1331 CB HIS A 91 -8.017 14.066 4.152 1.00 44.11 C ATOM 1332 CG HIS A 91 -7.890 15.335 4.938 1.00 62.20 C ATOM 1333 ND1 HIS A 91 -7.882 15.368 6.316 1.00 52.44 N ATOM 1334 CD2 HIS A 91 -7.765 16.619 4.532 1.00 74.22 C ATOM 1335 CE1 HIS A 91 -7.760 16.619 6.723 1.00 61.10 C ATOM 1336 NE2 HIS A 91 -7.687 17.398 5.660 1.00 1.34 N ATOM 0 H HIS A 91 -9.361 13.484 6.718 1.00 12.11 H new ATOM 0 HA HIS A 91 -8.496 11.983 4.363 1.00 55.44 H new ATOM 0 HB2 HIS A 91 -7.090 13.893 3.604 1.00 44.11 H new ATOM 0 HB3 HIS A 91 -8.808 14.185 3.411 1.00 44.11 H new ATOM 0 HD1 HIS A 91 -7.958 14.554 6.926 1.00 52.44 H new ATOM 0 HD2 HIS A 91 -7.733 16.967 3.510 1.00 74.22 H new ATOM 0 HE1 HIS A 91 -7.726 16.948 7.751 1.00 61.10 H new ATOM 1344 N LEU A 92 -6.093 11.940 5.334 1.00 72.13 N ATOM 1345 CA LEU A 92 -4.893 11.589 6.087 1.00 72.42 C ATOM 1346 C LEU A 92 -3.780 12.602 5.839 1.00 25.33 C ATOM 1347 O LEU A 92 -3.638 13.125 4.734 1.00 4.34 O ATOM 1348 CB LEU A 92 -4.419 10.186 5.699 1.00 15.45 C ATOM 1349 CG LEU A 92 -4.828 9.055 6.644 1.00 62.45 C ATOM 1350 CD1 LEU A 92 -5.994 8.271 6.062 1.00 14.20 C ATOM 1351 CD2 LEU A 92 -3.648 8.135 6.916 1.00 64.31 C ATOM 0 H LEU A 92 -6.057 11.696 4.344 1.00 72.13 H new ATOM 0 HA LEU A 92 -5.140 11.602 7.148 1.00 72.42 H new ATOM 0 HB2 LEU A 92 -4.801 9.957 4.704 1.00 15.45 H new ATOM 0 HB3 LEU A 92 -3.331 10.198 5.628 1.00 15.45 H new ATOM 0 HG LEU A 92 -5.146 9.494 7.590 1.00 62.45 H new ATOM 0 HD11 LEU A 92 -6.272 7.470 6.747 1.00 14.20 H new ATOM 0 HD12 LEU A 92 -6.845 8.937 5.918 1.00 14.20 H new ATOM 0 HD13 LEU A 92 -5.702 7.843 5.103 1.00 14.20 H new ATOM 0 HD21 LEU A 92 -3.957 7.336 7.590 1.00 64.31 H new ATOM 0 HD22 LEU A 92 -3.299 7.703 5.978 1.00 64.31 H new ATOM 0 HD23 LEU A 92 -2.840 8.705 7.375 1.00 64.31 H new ATOM 1363 N ILE A 93 -2.994 12.870 6.876 1.00 45.43 N ATOM 1364 CA ILE A 93 -1.890 13.818 6.769 1.00 11.15 C ATOM 1365 C ILE A 93 -0.546 13.097 6.760 1.00 43.41 C ATOM 1366 O ILE A 93 -0.351 12.113 7.472 1.00 75.23 O ATOM 1367 CB ILE A 93 -1.907 14.832 7.928 1.00 12.43 C ATOM 1368 CG1 ILE A 93 -2.965 15.907 7.678 1.00 55.34 C ATOM 1369 CG2 ILE A 93 -0.532 15.463 8.099 1.00 35.10 C ATOM 1370 CD1 ILE A 93 -4.383 15.379 7.704 1.00 23.52 C ATOM 0 H ILE A 93 -3.100 12.446 7.798 1.00 45.43 H new ATOM 0 HA ILE A 93 -2.020 14.351 5.827 1.00 11.15 H new ATOM 0 HB ILE A 93 -2.161 14.306 8.848 1.00 12.43 H new ATOM 0 HG12 ILE A 93 -2.863 16.688 8.432 1.00 55.34 H new ATOM 0 HG13 ILE A 93 -2.777 16.372 6.710 1.00 55.34 H new ATOM 0 HG21 ILE A 93 -0.559 16.177 8.922 1.00 35.10 H new ATOM 0 HG22 ILE A 93 0.200 14.686 8.317 1.00 35.10 H new ATOM 0 HG23 ILE A 93 -0.251 15.978 7.180 1.00 35.10 H new ATOM 0 HD11 ILE A 93 -5.079 16.197 7.519 1.00 23.52 H new ATOM 0 HD12 ILE A 93 -4.503 14.619 6.932 1.00 23.52 H new ATOM 0 HD13 ILE A 93 -4.590 14.940 8.680 1.00 23.52 H new ATOM 1382 N PHE A 94 0.379 13.596 5.947 1.00 25.24 N ATOM 1383 CA PHE A 94 1.707 13.000 5.843 1.00 23.20 C ATOM 1384 C PHE A 94 2.662 13.621 6.859 1.00 43.01 C ATOM 1385 O PHE A 94 2.881 14.832 6.883 1.00 42.11 O ATOM 1386 CB PHE A 94 2.262 13.182 4.428 1.00 35.54 C ATOM 1387 CG PHE A 94 3.417 12.275 4.117 1.00 44.24 C ATOM 1388 CD1 PHE A 94 4.673 12.525 4.648 1.00 35.04 C ATOM 1389 CD2 PHE A 94 3.249 11.173 3.295 1.00 4.05 C ATOM 1390 CE1 PHE A 94 5.739 11.693 4.362 1.00 53.20 C ATOM 1391 CE2 PHE A 94 4.312 10.337 3.005 1.00 14.33 C ATOM 1392 CZ PHE A 94 5.559 10.597 3.542 1.00 53.01 C ATOM 0 H PHE A 94 0.234 14.411 5.351 1.00 25.24 H new ATOM 0 HA PHE A 94 1.618 11.935 6.057 1.00 23.20 H new ATOM 0 HB2 PHE A 94 1.464 13.002 3.707 1.00 35.54 H new ATOM 0 HB3 PHE A 94 2.579 14.217 4.301 1.00 35.54 H new ATOM 0 HD1 PHE A 94 4.820 13.379 5.292 1.00 35.04 H new ATOM 0 HD2 PHE A 94 2.276 10.964 2.875 1.00 4.05 H new ATOM 0 HE1 PHE A 94 6.713 11.900 4.780 1.00 53.20 H new ATOM 0 HE2 PHE A 94 4.168 9.483 2.360 1.00 14.33 H new ATOM 0 HZ PHE A 94 6.390 9.944 3.321 1.00 53.01 H new ATOM 1402 N PRO A 95 3.243 12.772 7.719 1.00 65.12 N ATOM 1403 CA PRO A 95 4.185 13.213 8.753 1.00 61.55 C ATOM 1404 C PRO A 95 5.511 13.684 8.167 1.00 23.21 C ATOM 1405 O PRO A 95 6.100 13.011 7.319 1.00 43.44 O ATOM 1406 CB PRO A 95 4.391 11.957 9.603 1.00 33.13 C ATOM 1407 CG PRO A 95 4.098 10.824 8.682 1.00 32.54 C ATOM 1408 CD PRO A 95 3.029 11.315 7.747 1.00 73.34 C ATOM 0 HA PRO A 95 3.804 14.066 9.314 1.00 61.55 H new ATOM 0 HB2 PRO A 95 5.410 11.902 9.987 1.00 33.13 H new ATOM 0 HB3 PRO A 95 3.724 11.949 10.465 1.00 33.13 H new ATOM 0 HG2 PRO A 95 4.991 10.528 8.132 1.00 32.54 H new ATOM 0 HG3 PRO A 95 3.760 9.948 9.236 1.00 32.54 H new ATOM 0 HD2 PRO A 95 3.130 10.875 6.755 1.00 73.34 H new ATOM 0 HD3 PRO A 95 2.032 11.062 8.108 1.00 73.34 H new ATOM 1416 N LYS A 96 5.978 14.841 8.623 1.00 22.40 N ATOM 1417 CA LYS A 96 7.237 15.400 8.147 1.00 72.11 C ATOM 1418 C LYS A 96 8.417 14.539 8.587 1.00 50.55 C ATOM 1419 O LYS A 96 9.533 14.697 8.091 1.00 13.45 O ATOM 1420 CB LYS A 96 7.413 16.828 8.666 1.00 54.54 C ATOM 1421 CG LYS A 96 6.424 17.817 8.072 1.00 41.13 C ATOM 1422 CD LYS A 96 6.634 19.217 8.625 1.00 64.00 C ATOM 1423 CE LYS A 96 5.911 19.407 9.949 1.00 42.41 C ATOM 1424 NZ LYS A 96 5.479 20.818 10.149 1.00 52.35 N ATOM 0 H LYS A 96 5.502 15.411 9.323 1.00 22.40 H new ATOM 0 HA LYS A 96 7.209 15.416 7.057 1.00 72.11 H new ATOM 0 HB2 LYS A 96 7.306 16.827 9.751 1.00 54.54 H new ATOM 0 HB3 LYS A 96 8.426 17.164 8.446 1.00 54.54 H new ATOM 0 HG2 LYS A 96 6.532 17.833 6.987 1.00 41.13 H new ATOM 0 HG3 LYS A 96 5.407 17.489 8.286 1.00 41.13 H new ATOM 0 HD2 LYS A 96 7.700 19.399 8.762 1.00 64.00 H new ATOM 0 HD3 LYS A 96 6.275 19.952 7.904 1.00 64.00 H new ATOM 0 HE2 LYS A 96 5.040 18.752 9.984 1.00 42.41 H new ATOM 0 HE3 LYS A 96 6.567 19.109 10.767 1.00 42.41 H new ATOM 0 HZ1 LYS A 96 4.990 20.905 11.063 1.00 52.35 H new ATOM 0 HZ2 LYS A 96 6.312 21.441 10.141 1.00 52.35 H new ATOM 0 HZ3 LYS A 96 4.833 21.095 9.383 1.00 52.35 H new ATOM 1438 N LYS A 97 8.163 13.627 9.518 1.00 42.35 N ATOM 1439 CA LYS A 97 9.202 12.739 10.024 1.00 64.21 C ATOM 1440 C LYS A 97 9.364 11.521 9.119 1.00 21.14 C ATOM 1441 O LYS A 97 10.389 10.840 9.158 1.00 74.21 O ATOM 1442 CB LYS A 97 8.869 12.289 11.447 1.00 2.24 C ATOM 1443 CG LYS A 97 8.805 13.431 12.447 1.00 45.41 C ATOM 1444 CD LYS A 97 7.614 13.290 13.381 1.00 4.30 C ATOM 1445 CE LYS A 97 6.517 14.287 13.038 1.00 65.21 C ATOM 1446 NZ LYS A 97 5.194 13.620 12.876 1.00 65.01 N ATOM 0 H LYS A 97 7.245 13.483 9.938 1.00 42.35 H new ATOM 0 HA LYS A 97 10.142 13.290 10.035 1.00 64.21 H new ATOM 0 HB2 LYS A 97 7.911 11.769 11.440 1.00 2.24 H new ATOM 0 HB3 LYS A 97 9.619 11.570 11.777 1.00 2.24 H new ATOM 0 HG2 LYS A 97 9.725 13.456 13.031 1.00 45.41 H new ATOM 0 HG3 LYS A 97 8.740 14.379 11.914 1.00 45.41 H new ATOM 0 HD2 LYS A 97 7.219 12.276 13.318 1.00 4.30 H new ATOM 0 HD3 LYS A 97 7.937 13.443 14.411 1.00 4.30 H new ATOM 0 HE2 LYS A 97 6.451 15.039 13.824 1.00 65.21 H new ATOM 0 HE3 LYS A 97 6.776 14.810 12.117 1.00 65.21 H new ATOM 0 HZ1 LYS A 97 4.473 14.332 12.643 1.00 65.01 H new ATOM 0 HZ2 LYS A 97 5.250 12.920 12.109 1.00 65.01 H new ATOM 0 HZ3 LYS A 97 4.935 13.142 13.763 1.00 65.01 H new ATOM 1460 N ALA A 98 8.347 11.253 8.308 1.00 72.13 N ATOM 1461 CA ALA A 98 8.379 10.120 7.392 1.00 63.23 C ATOM 1462 C ALA A 98 9.490 10.279 6.359 1.00 62.02 C ATOM 1463 O ALA A 98 9.952 11.389 6.096 1.00 14.11 O ATOM 1464 CB ALA A 98 7.033 9.963 6.699 1.00 13.33 C ATOM 0 H ALA A 98 7.490 11.805 8.266 1.00 72.13 H new ATOM 0 HA ALA A 98 8.584 9.221 7.974 1.00 63.23 H new ATOM 0 HB1 ALA A 98 7.071 9.113 6.018 1.00 13.33 H new ATOM 0 HB2 ALA A 98 6.257 9.795 7.446 1.00 13.33 H new ATOM 0 HB3 ALA A 98 6.805 10.869 6.137 1.00 13.33 H new ATOM 1470 N SER A 99 9.916 9.161 5.778 1.00 63.03 N ATOM 1471 CA SER A 99 10.977 9.177 4.778 1.00 40.04 C ATOM 1472 C SER A 99 10.440 8.768 3.410 1.00 3.10 C ATOM 1473 O SER A 99 10.077 7.611 3.193 1.00 72.12 O ATOM 1474 CB SER A 99 12.113 8.240 5.194 1.00 3.13 C ATOM 1475 OG SER A 99 11.764 7.496 6.350 1.00 54.00 O ATOM 0 H SER A 99 9.543 8.234 5.983 1.00 63.03 H new ATOM 0 HA SER A 99 11.362 10.194 4.708 1.00 40.04 H new ATOM 0 HB2 SER A 99 12.345 7.559 4.375 1.00 3.13 H new ATOM 0 HB3 SER A 99 13.014 8.821 5.390 1.00 3.13 H new ATOM 0 HG SER A 99 12.506 6.904 6.594 1.00 54.00 H new ATOM 1481 N VAL A 100 10.393 9.724 2.488 1.00 12.01 N ATOM 1482 CA VAL A 100 9.902 9.466 1.140 1.00 20.44 C ATOM 1483 C VAL A 100 10.750 8.410 0.440 1.00 2.43 C ATOM 1484 O VAL A 100 10.254 7.659 -0.399 1.00 64.52 O ATOM 1485 CB VAL A 100 9.893 10.748 0.290 1.00 43.34 C ATOM 1486 CG1 VAL A 100 8.770 11.675 0.730 1.00 4.00 C ATOM 1487 CG2 VAL A 100 11.240 11.453 0.375 1.00 15.22 C ATOM 0 H VAL A 100 10.690 10.686 2.651 1.00 12.01 H new ATOM 0 HA VAL A 100 8.880 9.100 1.240 1.00 20.44 H new ATOM 0 HB VAL A 100 9.717 10.471 -0.749 1.00 43.34 H new ATOM 0 HG11 VAL A 100 8.781 12.576 0.117 1.00 4.00 H new ATOM 0 HG12 VAL A 100 7.812 11.168 0.613 1.00 4.00 H new ATOM 0 HG13 VAL A 100 8.911 11.947 1.776 1.00 4.00 H new ATOM 0 HG21 VAL A 100 11.216 12.358 -0.232 1.00 15.22 H new ATOM 0 HG22 VAL A 100 11.448 11.717 1.412 1.00 15.22 H new ATOM 0 HG23 VAL A 100 12.022 10.789 0.006 1.00 15.22 H new ATOM 1497 N GLU A 101 12.030 8.357 0.793 1.00 42.12 N ATOM 1498 CA GLU A 101 12.948 7.393 0.197 1.00 33.13 C ATOM 1499 C GLU A 101 12.543 5.966 0.554 1.00 3.41 C ATOM 1500 O GLU A 101 12.649 5.057 -0.269 1.00 4.32 O ATOM 1501 CB GLU A 101 14.380 7.661 0.665 1.00 10.42 C ATOM 1502 CG GLU A 101 15.151 8.602 -0.244 1.00 11.52 C ATOM 1503 CD GLU A 101 16.643 8.577 0.021 1.00 0.34 C ATOM 1504 OE1 GLU A 101 17.185 7.478 0.262 1.00 10.41 O ATOM 1505 OE2 GLU A 101 17.270 9.657 -0.012 1.00 43.43 O ATOM 0 H GLU A 101 12.455 8.970 1.489 1.00 42.12 H new ATOM 0 HA GLU A 101 12.901 7.506 -0.886 1.00 33.13 H new ATOM 0 HB2 GLU A 101 14.352 8.082 1.670 1.00 10.42 H new ATOM 0 HB3 GLU A 101 14.915 6.714 0.731 1.00 10.42 H new ATOM 0 HG2 GLU A 101 14.966 8.330 -1.283 1.00 11.52 H new ATOM 0 HG3 GLU A 101 14.779 9.618 -0.109 1.00 11.52 H new ATOM 1512 N GLN A 102 12.080 5.779 1.785 1.00 4.54 N ATOM 1513 CA GLN A 102 11.661 4.461 2.252 1.00 40.14 C ATOM 1514 C GLN A 102 10.324 4.067 1.635 1.00 30.41 C ATOM 1515 O GLN A 102 10.145 2.934 1.186 1.00 22.52 O ATOM 1516 CB GLN A 102 11.557 4.447 3.777 1.00 15.22 C ATOM 1517 CG GLN A 102 10.792 3.253 4.324 1.00 0.21 C ATOM 1518 CD GLN A 102 9.296 3.493 4.379 1.00 73.52 C ATOM 1519 OE1 GLN A 102 8.545 2.752 3.572 1.00 64.14 O flip ATOM 1520 NE2 GLN A 102 8.819 4.337 5.139 1.00 3.14 N flip ATOM 0 H GLN A 102 11.985 6.522 2.477 1.00 4.54 H new ATOM 0 HA GLN A 102 12.412 3.736 1.940 1.00 40.14 H new ATOM 0 HB2 GLN A 102 12.561 4.450 4.201 1.00 15.22 H new ATOM 0 HB3 GLN A 102 11.068 5.363 4.108 1.00 15.22 H new ATOM 0 HG2 GLN A 102 10.993 2.381 3.701 1.00 0.21 H new ATOM 0 HG3 GLN A 102 11.156 3.021 5.325 1.00 0.21 H new ATOM 0 HE21 GLN A 102 9.432 4.885 5.742 1.00 3.14 H new ATOM 0 HE22 GLN A 102 7.811 4.488 5.165 1.00 3.14 H new ATOM 1529 N LEU A 103 9.386 5.007 1.616 1.00 22.40 N ATOM 1530 CA LEU A 103 8.062 4.757 1.054 1.00 52.44 C ATOM 1531 C LEU A 103 8.162 4.339 -0.409 1.00 53.43 C ATOM 1532 O LEU A 103 7.403 3.490 -0.875 1.00 32.12 O ATOM 1533 CB LEU A 103 7.189 6.006 1.181 1.00 62.43 C ATOM 1534 CG LEU A 103 6.057 5.932 2.206 1.00 32.14 C ATOM 1535 CD1 LEU A 103 5.634 7.328 2.638 1.00 44.45 C ATOM 1536 CD2 LEU A 103 4.872 5.166 1.637 1.00 15.35 C ATOM 0 H LEU A 103 9.517 5.950 1.983 1.00 22.40 H new ATOM 0 HA LEU A 103 7.604 3.942 1.615 1.00 52.44 H new ATOM 0 HB2 LEU A 103 7.831 6.849 1.438 1.00 62.43 H new ATOM 0 HB3 LEU A 103 6.755 6.222 0.205 1.00 62.43 H new ATOM 0 HG LEU A 103 6.422 5.398 3.083 1.00 32.14 H new ATOM 0 HD11 LEU A 103 4.827 7.254 3.368 1.00 44.45 H new ATOM 0 HD12 LEU A 103 6.483 7.843 3.087 1.00 44.45 H new ATOM 0 HD13 LEU A 103 5.288 7.888 1.770 1.00 44.45 H new ATOM 0 HD21 LEU A 103 4.076 5.123 2.380 1.00 15.35 H new ATOM 0 HD22 LEU A 103 4.507 5.672 0.743 1.00 15.35 H new ATOM 0 HD23 LEU A 103 5.183 4.153 1.380 1.00 15.35 H new ATOM 1548 N GLN A 104 9.104 4.941 -1.128 1.00 44.45 N ATOM 1549 CA GLN A 104 9.305 4.629 -2.538 1.00 55.14 C ATOM 1550 C GLN A 104 9.896 3.234 -2.710 1.00 50.32 C ATOM 1551 O GLN A 104 9.431 2.448 -3.536 1.00 1.44 O ATOM 1552 CB GLN A 104 10.222 5.668 -3.187 1.00 13.21 C ATOM 1553 CG GLN A 104 10.379 5.488 -4.688 1.00 21.23 C ATOM 1554 CD GLN A 104 10.443 6.807 -5.431 1.00 33.23 C ATOM 1555 OE1 GLN A 104 9.425 7.082 -6.239 1.00 30.05 O flip ATOM 1556 NE2 GLN A 104 11.396 7.572 -5.283 1.00 32.41 N flip ATOM 0 H GLN A 104 9.740 5.647 -0.757 1.00 44.45 H new ATOM 0 HA GLN A 104 8.333 4.654 -3.030 1.00 55.14 H new ATOM 0 HB2 GLN A 104 9.826 6.664 -2.988 1.00 13.21 H new ATOM 0 HB3 GLN A 104 11.205 5.616 -2.718 1.00 13.21 H new ATOM 0 HG2 GLN A 104 11.286 4.918 -4.889 1.00 21.23 H new ATOM 0 HG3 GLN A 104 9.543 4.901 -5.069 1.00 21.23 H new ATOM 0 HE21 GLN A 104 12.158 7.322 -4.652 1.00 32.41 H new ATOM 0 HE22 GLN A 104 11.424 8.456 -5.791 1.00 32.41 H new ATOM 1565 N LYS A 105 10.923 2.933 -1.923 1.00 22.43 N ATOM 1566 CA LYS A 105 11.579 1.632 -1.986 1.00 44.20 C ATOM 1567 C LYS A 105 10.565 0.504 -1.827 1.00 20.14 C ATOM 1568 O LYS A 105 10.590 -0.476 -2.573 1.00 41.23 O ATOM 1569 CB LYS A 105 12.652 1.525 -0.900 1.00 41.35 C ATOM 1570 CG LYS A 105 14.064 1.740 -1.418 1.00 0.23 C ATOM 1571 CD LYS A 105 15.094 1.567 -0.313 1.00 61.33 C ATOM 1572 CE LYS A 105 16.512 1.651 -0.857 1.00 4.24 C ATOM 1573 NZ LYS A 105 17.087 3.015 -0.697 1.00 60.22 N ATOM 0 H LYS A 105 11.319 3.572 -1.234 1.00 22.43 H new ATOM 0 HA LYS A 105 12.051 1.538 -2.964 1.00 44.20 H new ATOM 0 HB2 LYS A 105 12.444 2.259 -0.121 1.00 41.35 H new ATOM 0 HB3 LYS A 105 12.590 0.541 -0.435 1.00 41.35 H new ATOM 0 HG2 LYS A 105 14.269 1.034 -2.222 1.00 0.23 H new ATOM 0 HG3 LYS A 105 14.149 2.740 -1.843 1.00 0.23 H new ATOM 0 HD2 LYS A 105 14.948 2.336 0.446 1.00 61.33 H new ATOM 0 HD3 LYS A 105 14.947 0.604 0.176 1.00 61.33 H new ATOM 0 HE2 LYS A 105 17.143 0.928 -0.340 1.00 4.24 H new ATOM 0 HE3 LYS A 105 16.513 1.378 -1.912 1.00 4.24 H new ATOM 0 HZ1 LYS A 105 18.054 3.031 -1.080 1.00 60.22 H new ATOM 0 HZ2 LYS A 105 16.499 3.702 -1.211 1.00 60.22 H new ATOM 0 HZ3 LYS A 105 17.110 3.266 0.312 1.00 60.22 H new ATOM 1587 N ILE A 106 9.675 0.647 -0.851 1.00 0.54 N ATOM 1588 CA ILE A 106 8.653 -0.359 -0.596 1.00 53.12 C ATOM 1589 C ILE A 106 7.522 -0.263 -1.614 1.00 54.51 C ATOM 1590 O ILE A 106 6.896 -1.266 -1.958 1.00 51.21 O ATOM 1591 CB ILE A 106 8.067 -0.219 0.822 1.00 71.05 C ATOM 1592 CG1 ILE A 106 7.189 -1.428 1.156 1.00 42.30 C ATOM 1593 CG2 ILE A 106 7.268 1.070 0.939 1.00 2.41 C ATOM 1594 CD1 ILE A 106 6.948 -1.607 2.638 1.00 24.21 C ATOM 0 H ILE A 106 9.641 1.451 -0.224 1.00 0.54 H new ATOM 0 HA ILE A 106 9.137 -1.331 -0.685 1.00 53.12 H new ATOM 0 HB ILE A 106 8.889 -0.181 1.537 1.00 71.05 H new ATOM 0 HG12 ILE A 106 6.229 -1.321 0.650 1.00 42.30 H new ATOM 0 HG13 ILE A 106 7.659 -2.329 0.761 1.00 42.30 H new ATOM 0 HG21 ILE A 106 6.860 1.155 1.946 1.00 2.41 H new ATOM 0 HG22 ILE A 106 7.919 1.921 0.738 1.00 2.41 H new ATOM 0 HG23 ILE A 106 6.452 1.059 0.217 1.00 2.41 H new ATOM 0 HD11 ILE A 106 6.319 -2.482 2.801 1.00 24.21 H new ATOM 0 HD12 ILE A 106 7.902 -1.746 3.148 1.00 24.21 H new ATOM 0 HD13 ILE A 106 6.450 -0.723 3.035 1.00 24.21 H new ATOM 1606 N ARG A 107 7.266 0.949 -2.093 1.00 13.54 N ATOM 1607 CA ARG A 107 6.210 1.178 -3.072 1.00 23.22 C ATOM 1608 C ARG A 107 6.506 0.437 -4.373 1.00 1.30 C ATOM 1609 O ARG A 107 5.592 0.029 -5.089 1.00 53.03 O ATOM 1610 CB ARG A 107 6.055 2.674 -3.349 1.00 64.13 C ATOM 1611 CG ARG A 107 5.736 2.996 -4.801 1.00 30.44 C ATOM 1612 CD ARG A 107 5.348 4.455 -4.975 1.00 34.01 C ATOM 1613 NE ARG A 107 4.928 4.749 -6.343 1.00 13.44 N ATOM 1614 CZ ARG A 107 5.761 4.784 -7.376 1.00 40.34 C ATOM 1615 NH1 ARG A 107 7.052 4.543 -7.199 1.00 3.44 N ATOM 1616 NH2 ARG A 107 5.303 5.060 -8.591 1.00 34.23 N ATOM 0 H ARG A 107 7.776 1.789 -1.819 1.00 13.54 H new ATOM 0 HA ARG A 107 5.277 0.795 -2.658 1.00 23.22 H new ATOM 0 HB2 ARG A 107 5.263 3.072 -2.715 1.00 64.13 H new ATOM 0 HB3 ARG A 107 6.976 3.184 -3.066 1.00 64.13 H new ATOM 0 HG2 ARG A 107 6.602 2.772 -5.423 1.00 30.44 H new ATOM 0 HG3 ARG A 107 4.922 2.358 -5.146 1.00 30.44 H new ATOM 0 HD2 ARG A 107 4.539 4.700 -4.287 1.00 34.01 H new ATOM 0 HD3 ARG A 107 6.194 5.089 -4.711 1.00 34.01 H new ATOM 0 HE ARG A 107 3.940 4.938 -6.514 1.00 13.44 H new ATOM 0 HH11 ARG A 107 7.408 4.330 -6.267 1.00 3.44 H new ATOM 0 HH12 ARG A 107 7.690 4.571 -7.995 1.00 3.44 H new ATOM 0 HH21 ARG A 107 4.310 5.246 -8.732 1.00 34.23 H new ATOM 0 HH22 ARG A 107 5.944 5.087 -9.384 1.00 34.23 H new ATOM 1630 N ASP A 108 7.789 0.265 -4.671 1.00 3.42 N ATOM 1631 CA ASP A 108 8.207 -0.426 -5.885 1.00 62.31 C ATOM 1632 C ASP A 108 7.691 -1.861 -5.896 1.00 61.51 C ATOM 1633 O ASP A 108 7.335 -2.397 -6.948 1.00 72.44 O ATOM 1634 CB ASP A 108 9.732 -0.420 -6.002 1.00 63.02 C ATOM 1635 CG ASP A 108 10.221 0.457 -7.139 1.00 53.55 C ATOM 1636 OD1 ASP A 108 10.158 1.697 -7.001 1.00 62.14 O ATOM 1637 OD2 ASP A 108 10.667 -0.097 -8.165 1.00 73.20 O ATOM 0 H ASP A 108 8.558 0.595 -4.088 1.00 3.42 H new ATOM 0 HA ASP A 108 7.783 0.102 -6.739 1.00 62.31 H new ATOM 0 HB2 ASP A 108 10.164 -0.070 -5.065 1.00 63.02 H new ATOM 0 HB3 ASP A 108 10.086 -1.440 -6.155 1.00 63.02 H new ATOM 1642 N LEU A 109 7.653 -2.482 -4.722 1.00 71.14 N ATOM 1643 CA LEU A 109 7.181 -3.857 -4.597 1.00 40.22 C ATOM 1644 C LEU A 109 5.677 -3.940 -4.843 1.00 3.33 C ATOM 1645 O LEU A 109 5.183 -4.926 -5.390 1.00 63.14 O ATOM 1646 CB LEU A 109 7.514 -4.406 -3.209 1.00 3.22 C ATOM 1647 CG LEU A 109 8.916 -4.992 -3.038 1.00 72.41 C ATOM 1648 CD1 LEU A 109 9.713 -4.181 -2.029 1.00 24.02 C ATOM 1649 CD2 LEU A 109 8.835 -6.450 -2.609 1.00 73.24 C ATOM 0 H LEU A 109 7.944 -2.055 -3.842 1.00 71.14 H new ATOM 0 HA LEU A 109 7.688 -4.460 -5.350 1.00 40.22 H new ATOM 0 HB2 LEU A 109 7.386 -3.604 -2.483 1.00 3.22 H new ATOM 0 HB3 LEU A 109 6.786 -5.179 -2.962 1.00 3.22 H new ATOM 0 HG LEU A 109 9.429 -4.944 -3.998 1.00 72.41 H new ATOM 0 HD11 LEU A 109 10.708 -4.612 -1.920 1.00 24.02 H new ATOM 0 HD12 LEU A 109 9.800 -3.152 -2.377 1.00 24.02 H new ATOM 0 HD13 LEU A 109 9.203 -4.197 -1.066 1.00 24.02 H new ATOM 0 HD21 LEU A 109 9.842 -6.851 -2.492 1.00 73.24 H new ATOM 0 HD22 LEU A 109 8.303 -6.521 -1.660 1.00 73.24 H new ATOM 0 HD23 LEU A 109 8.302 -7.023 -3.367 1.00 73.24 H new ATOM 1661 N ILE A 110 4.958 -2.900 -4.436 1.00 13.33 N ATOM 1662 CA ILE A 110 3.512 -2.855 -4.615 1.00 1.12 C ATOM 1663 C ILE A 110 3.145 -2.661 -6.083 1.00 44.03 C ATOM 1664 O ILE A 110 2.314 -3.386 -6.626 1.00 62.40 O ATOM 1665 CB ILE A 110 2.877 -1.724 -3.786 1.00 11.32 C ATOM 1666 CG1 ILE A 110 3.608 -1.570 -2.450 1.00 42.54 C ATOM 1667 CG2 ILE A 110 1.397 -2.001 -3.556 1.00 4.11 C ATOM 1668 CD1 ILE A 110 3.778 -2.873 -1.700 1.00 55.12 C ATOM 0 H ILE A 110 5.353 -2.077 -3.980 1.00 13.33 H new ATOM 0 HA ILE A 110 3.122 -3.812 -4.268 1.00 1.12 H new ATOM 0 HB ILE A 110 2.970 -0.791 -4.341 1.00 11.32 H new ATOM 0 HG12 ILE A 110 4.590 -1.133 -2.631 1.00 42.54 H new ATOM 0 HG13 ILE A 110 3.058 -0.868 -1.823 1.00 42.54 H new ATOM 0 HG21 ILE A 110 0.963 -1.192 -2.968 1.00 4.11 H new ATOM 0 HG22 ILE A 110 0.886 -2.067 -4.516 1.00 4.11 H new ATOM 0 HG23 ILE A 110 1.282 -2.942 -3.018 1.00 4.11 H new ATOM 0 HD11 ILE A 110 4.304 -2.688 -0.763 1.00 55.12 H new ATOM 0 HD12 ILE A 110 2.798 -3.301 -1.488 1.00 55.12 H new ATOM 0 HD13 ILE A 110 4.354 -3.570 -2.308 1.00 55.12 H new ATOM 1680 N ALA A 111 3.773 -1.677 -6.719 1.00 3.34 N ATOM 1681 CA ALA A 111 3.517 -1.389 -8.124 1.00 74.35 C ATOM 1682 C ALA A 111 3.713 -2.633 -8.984 1.00 53.32 C ATOM 1683 O ALA A 111 2.902 -2.926 -9.863 1.00 51.22 O ATOM 1684 CB ALA A 111 4.421 -0.264 -8.606 1.00 3.30 C ATOM 0 H ALA A 111 4.463 -1.066 -6.282 1.00 3.34 H new ATOM 0 HA ALA A 111 2.479 -1.072 -8.221 1.00 74.35 H new ATOM 0 HB1 ALA A 111 4.219 -0.060 -9.657 1.00 3.30 H new ATOM 0 HB2 ALA A 111 4.229 0.634 -8.018 1.00 3.30 H new ATOM 0 HB3 ALA A 111 5.464 -0.559 -8.488 1.00 3.30 H new ATOM 1690 N ILE A 112 4.793 -3.361 -8.725 1.00 1.20 N ATOM 1691 CA ILE A 112 5.095 -4.573 -9.475 1.00 64.32 C ATOM 1692 C ILE A 112 4.157 -5.711 -9.083 1.00 40.14 C ATOM 1693 O ILE A 112 3.757 -6.515 -9.923 1.00 30.31 O ATOM 1694 CB ILE A 112 6.550 -5.026 -9.255 1.00 1.13 C ATOM 1695 CG1 ILE A 112 6.868 -6.240 -10.130 1.00 3.12 C ATOM 1696 CG2 ILE A 112 6.790 -5.346 -7.787 1.00 72.43 C ATOM 1697 CD1 ILE A 112 6.734 -5.969 -11.612 1.00 12.13 C ATOM 0 H ILE A 112 5.474 -3.132 -8.001 1.00 1.20 H new ATOM 0 HA ILE A 112 4.953 -4.333 -10.529 1.00 64.32 H new ATOM 0 HB ILE A 112 7.215 -4.211 -9.542 1.00 1.13 H new ATOM 0 HG12 ILE A 112 7.885 -6.572 -9.920 1.00 3.12 H new ATOM 0 HG13 ILE A 112 6.202 -7.059 -9.857 1.00 3.12 H new ATOM 0 HG21 ILE A 112 7.823 -5.665 -7.648 1.00 72.43 H new ATOM 0 HG22 ILE A 112 6.600 -4.457 -7.185 1.00 72.43 H new ATOM 0 HG23 ILE A 112 6.119 -6.146 -7.474 1.00 72.43 H new ATOM 0 HD11 ILE A 112 6.975 -6.874 -12.171 1.00 12.13 H new ATOM 0 HD12 ILE A 112 5.711 -5.666 -11.835 1.00 12.13 H new ATOM 0 HD13 ILE A 112 7.420 -5.172 -11.900 1.00 12.13 H new ATOM 1709 N GLU A 113 3.808 -5.767 -7.801 1.00 25.30 N ATOM 1710 CA GLU A 113 2.916 -6.805 -7.298 1.00 71.01 C ATOM 1711 C GLU A 113 1.566 -6.754 -8.010 1.00 22.32 C ATOM 1712 O GLU A 113 0.944 -7.787 -8.255 1.00 34.21 O ATOM 1713 CB GLU A 113 2.716 -6.649 -5.790 1.00 31.30 C ATOM 1714 CG GLU A 113 1.887 -7.760 -5.168 1.00 43.40 C ATOM 1715 CD GLU A 113 2.639 -9.074 -5.087 1.00 5.12 C ATOM 1716 OE1 GLU A 113 3.655 -9.133 -4.361 1.00 52.24 O ATOM 1717 OE2 GLU A 113 2.214 -10.043 -5.748 1.00 75.34 O ATOM 0 H GLU A 113 4.129 -5.107 -7.093 1.00 25.30 H new ATOM 0 HA GLU A 113 3.376 -7.773 -7.498 1.00 71.01 H new ATOM 0 HB2 GLU A 113 3.691 -6.619 -5.304 1.00 31.30 H new ATOM 0 HB3 GLU A 113 2.232 -5.692 -5.593 1.00 31.30 H new ATOM 0 HG2 GLU A 113 1.578 -7.460 -4.167 1.00 43.40 H new ATOM 0 HG3 GLU A 113 0.978 -7.901 -5.753 1.00 43.40 H new ATOM 1724 N ARG A 114 1.122 -5.545 -8.337 1.00 71.32 N ATOM 1725 CA ARG A 114 -0.154 -5.358 -9.018 1.00 3.23 C ATOM 1726 C ARG A 114 -0.193 -6.149 -10.322 1.00 75.14 C ATOM 1727 O ARG A 114 -1.154 -6.872 -10.591 1.00 42.12 O ATOM 1728 CB ARG A 114 -0.391 -3.874 -9.302 1.00 21.50 C ATOM 1729 CG ARG A 114 -1.416 -3.235 -8.380 1.00 52.31 C ATOM 1730 CD ARG A 114 -1.002 -3.350 -6.921 1.00 23.02 C ATOM 1731 NE ARG A 114 -1.508 -4.574 -6.305 1.00 2.35 N ATOM 1732 CZ ARG A 114 -0.937 -5.159 -5.258 1.00 51.15 C ATOM 1733 NH1 ARG A 114 0.153 -4.636 -4.714 1.00 62.35 N ATOM 1734 NH2 ARG A 114 -1.457 -6.270 -4.753 1.00 30.24 N ATOM 0 H ARG A 114 1.627 -4.680 -8.142 1.00 71.32 H new ATOM 0 HA ARG A 114 -0.945 -5.727 -8.365 1.00 3.23 H new ATOM 0 HB2 ARG A 114 0.554 -3.339 -9.208 1.00 21.50 H new ATOM 0 HB3 ARG A 114 -0.721 -3.758 -10.334 1.00 21.50 H new ATOM 0 HG2 ARG A 114 -1.538 -2.184 -8.643 1.00 52.31 H new ATOM 0 HG3 ARG A 114 -2.384 -3.714 -8.523 1.00 52.31 H new ATOM 0 HD2 ARG A 114 0.086 -3.331 -6.850 1.00 23.02 H new ATOM 0 HD3 ARG A 114 -1.373 -2.486 -6.369 1.00 23.02 H new ATOM 0 HE ARG A 114 -2.345 -5.003 -6.700 1.00 2.35 H new ATOM 0 HH11 ARG A 114 0.556 -3.782 -5.099 1.00 62.35 H new ATOM 0 HH12 ARG A 114 0.589 -5.088 -3.910 1.00 62.35 H new ATOM 0 HH21 ARG A 114 -2.296 -6.675 -5.169 1.00 30.24 H new ATOM 0 HH22 ARG A 114 -1.018 -6.719 -3.949 1.00 30.24 H new ATOM 1748 N SER A 115 0.854 -6.007 -11.128 1.00 34.41 N ATOM 1749 CA SER A 115 0.935 -6.705 -12.406 1.00 52.42 C ATOM 1750 C SER A 115 1.035 -8.213 -12.196 1.00 32.11 C ATOM 1751 O SER A 115 0.520 -8.997 -12.993 1.00 13.41 O ATOM 1752 CB SER A 115 2.141 -6.210 -13.206 1.00 53.52 C ATOM 1753 OG SER A 115 2.613 -4.971 -12.702 1.00 12.24 O ATOM 0 H SER A 115 1.658 -5.415 -10.919 1.00 34.41 H new ATOM 0 HA SER A 115 0.024 -6.493 -12.966 1.00 52.42 H new ATOM 0 HB2 SER A 115 2.939 -6.951 -13.163 1.00 53.52 H new ATOM 0 HB3 SER A 115 1.865 -6.098 -14.255 1.00 53.52 H new ATOM 0 HG SER A 115 3.385 -4.676 -13.229 1.00 12.24 H new ATOM 1759 N SER A 116 1.702 -8.610 -11.117 1.00 62.34 N ATOM 1760 CA SER A 116 1.874 -10.024 -10.802 1.00 65.33 C ATOM 1761 C SER A 116 0.527 -10.692 -10.548 1.00 54.25 C ATOM 1762 O SER A 116 0.340 -11.871 -10.847 1.00 14.10 O ATOM 1763 CB SER A 116 2.778 -10.190 -9.580 1.00 44.50 C ATOM 1764 OG SER A 116 3.931 -10.951 -9.898 1.00 20.03 O ATOM 0 H SER A 116 2.132 -7.973 -10.446 1.00 62.34 H new ATOM 0 HA SER A 116 2.343 -10.507 -11.659 1.00 65.33 H new ATOM 0 HB2 SER A 116 3.077 -9.210 -9.209 1.00 44.50 H new ATOM 0 HB3 SER A 116 2.225 -10.680 -8.778 1.00 44.50 H new ATOM 0 HG SER A 116 4.493 -11.041 -9.101 1.00 20.03 H new ATOM 1770 N ARG A 117 -0.409 -9.928 -9.993 1.00 64.11 N ATOM 1771 CA ARG A 117 -1.739 -10.445 -9.696 1.00 14.44 C ATOM 1772 C ARG A 117 -2.582 -10.537 -10.964 1.00 13.43 C ATOM 1773 O ARG A 117 -3.492 -11.363 -11.060 1.00 62.24 O ATOM 1774 CB ARG A 117 -2.439 -9.552 -8.669 1.00 34.32 C ATOM 1775 CG ARG A 117 -3.803 -10.069 -8.243 1.00 0.51 C ATOM 1776 CD ARG A 117 -3.681 -11.184 -7.215 1.00 65.22 C ATOM 1777 NE ARG A 117 -3.836 -12.504 -7.821 1.00 62.22 N ATOM 1778 CZ ARG A 117 -3.594 -13.640 -7.177 1.00 23.32 C ATOM 1779 NH1 ARG A 117 -3.188 -13.619 -5.915 1.00 63.14 N ATOM 1780 NH2 ARG A 117 -3.758 -14.803 -7.797 1.00 14.24 N ATOM 0 H ARG A 117 -0.270 -8.950 -9.740 1.00 64.11 H new ATOM 0 HA ARG A 117 -1.628 -11.447 -9.281 1.00 14.44 H new ATOM 0 HB2 ARG A 117 -1.804 -9.459 -7.788 1.00 34.32 H new ATOM 0 HB3 ARG A 117 -2.553 -8.552 -9.087 1.00 34.32 H new ATOM 0 HG2 ARG A 117 -4.389 -9.250 -7.825 1.00 0.51 H new ATOM 0 HG3 ARG A 117 -4.343 -10.435 -9.116 1.00 0.51 H new ATOM 0 HD2 ARG A 117 -2.709 -11.121 -6.725 1.00 65.22 H new ATOM 0 HD3 ARG A 117 -4.437 -11.049 -6.442 1.00 65.22 H new ATOM 0 HE ARG A 117 -4.147 -12.556 -8.791 1.00 62.22 H new ATOM 0 HH11 ARG A 117 -3.060 -12.728 -5.435 1.00 63.14 H new ATOM 0 HH12 ARG A 117 -3.003 -14.494 -5.424 1.00 63.14 H new ATOM 0 HH21 ARG A 117 -4.070 -14.824 -8.768 1.00 14.24 H new ATOM 0 HH22 ARG A 117 -3.572 -15.675 -7.302 1.00 14.24 H new ATOM 1794 N LEU A 118 -2.277 -9.684 -11.935 1.00 51.33 N ATOM 1795 CA LEU A 118 -3.007 -9.667 -13.197 1.00 1.10 C ATOM 1796 C LEU A 118 -2.767 -10.954 -13.983 1.00 5.14 C ATOM 1797 O LEU A 118 -3.711 -11.631 -14.387 1.00 41.04 O ATOM 1798 CB LEU A 118 -2.587 -8.459 -14.037 1.00 71.42 C ATOM 1799 CG LEU A 118 -3.427 -8.184 -15.286 1.00 14.03 C ATOM 1800 CD1 LEU A 118 -4.374 -7.020 -15.045 1.00 42.25 C ATOM 1801 CD2 LEU A 118 -2.529 -7.907 -16.481 1.00 42.13 C ATOM 0 H LEU A 118 -1.528 -8.994 -11.872 1.00 51.33 H new ATOM 0 HA LEU A 118 -4.071 -9.593 -12.971 1.00 1.10 H new ATOM 0 HB2 LEU A 118 -2.615 -7.573 -13.402 1.00 71.42 H new ATOM 0 HB3 LEU A 118 -1.550 -8.598 -14.344 1.00 71.42 H new ATOM 0 HG LEU A 118 -4.023 -9.070 -15.504 1.00 14.03 H new ATOM 0 HD11 LEU A 118 -4.963 -6.838 -15.944 1.00 42.25 H new ATOM 0 HD12 LEU A 118 -5.040 -7.259 -14.216 1.00 42.25 H new ATOM 0 HD13 LEU A 118 -3.798 -6.127 -14.802 1.00 42.25 H new ATOM 0 HD21 LEU A 118 -3.143 -7.714 -17.361 1.00 42.13 H new ATOM 0 HD22 LEU A 118 -1.907 -7.036 -16.274 1.00 42.13 H new ATOM 0 HD23 LEU A 118 -1.892 -8.772 -16.666 1.00 42.13 H new ATOM 1813 N ASP A 119 -1.497 -11.284 -14.191 1.00 5.55 N ATOM 1814 CA ASP A 119 -1.131 -12.491 -14.924 1.00 23.13 C ATOM 1815 C ASP A 119 -1.827 -12.535 -16.280 1.00 53.21 C ATOM 1816 O ASP A 119 -2.097 -13.609 -16.817 1.00 41.41 O ATOM 1817 CB ASP A 119 -1.492 -13.736 -14.110 1.00 71.12 C ATOM 1818 CG ASP A 119 -0.420 -14.804 -14.181 1.00 2.41 C ATOM 1819 OD1 ASP A 119 -0.170 -15.323 -15.289 1.00 64.34 O ATOM 1820 OD2 ASP A 119 0.172 -15.121 -13.128 1.00 44.54 O ATOM 0 H ASP A 119 -0.704 -10.733 -13.863 1.00 5.55 H new ATOM 0 HA ASP A 119 -0.054 -12.474 -15.090 1.00 23.13 H new ATOM 0 HB2 ASP A 119 -1.650 -13.453 -13.069 1.00 71.12 H new ATOM 0 HB3 ASP A 119 -2.434 -14.145 -14.476 1.00 71.12 H new ATOM 1825 N GLY A 120 -2.118 -11.358 -16.829 1.00 21.54 N ATOM 1826 CA GLY A 120 -2.781 -11.286 -18.118 1.00 53.13 C ATOM 1827 C GLY A 120 -1.814 -11.010 -19.253 1.00 12.20 C ATOM 1828 O GLY A 120 -2.217 -10.554 -20.323 1.00 61.43 O ATOM 0 H GLY A 120 -1.907 -10.455 -16.404 1.00 21.54 H new ATOM 0 HA2 GLY A 120 -3.301 -12.225 -18.308 1.00 53.13 H new ATOM 0 HA3 GLY A 120 -3.538 -10.502 -18.091 1.00 53.13 H new ATOM 1832 N SER A 121 -0.535 -11.283 -19.019 1.00 33.13 N ATOM 1833 CA SER A 121 0.492 -11.056 -20.027 1.00 65.53 C ATOM 1834 C SER A 121 0.434 -9.625 -20.550 1.00 41.24 C ATOM 1835 O SER A 121 -0.142 -9.361 -21.605 1.00 70.11 O ATOM 1836 CB SER A 121 0.325 -12.042 -21.187 1.00 0.11 C ATOM 1837 OG SER A 121 0.076 -13.353 -20.709 1.00 63.44 O ATOM 0 H SER A 121 -0.185 -11.662 -18.139 1.00 33.13 H new ATOM 0 HA SER A 121 1.464 -11.215 -19.561 1.00 65.53 H new ATOM 0 HB2 SER A 121 -0.498 -11.722 -21.825 1.00 0.11 H new ATOM 0 HB3 SER A 121 1.225 -12.040 -21.802 1.00 0.11 H new ATOM 0 HG SER A 121 -0.029 -13.964 -21.468 1.00 63.44 H new ATOM 1843 N SER A 122 1.034 -8.704 -19.803 1.00 70.04 N ATOM 1844 CA SER A 122 1.047 -7.297 -20.188 1.00 33.11 C ATOM 1845 C SER A 122 2.133 -6.537 -19.431 1.00 72.43 C ATOM 1846 O SER A 122 2.868 -7.115 -18.630 1.00 12.51 O ATOM 1847 CB SER A 122 -0.317 -6.660 -19.920 1.00 24.22 C ATOM 1848 OG SER A 122 -0.748 -6.916 -18.594 1.00 71.53 O ATOM 0 H SER A 122 1.517 -8.906 -18.928 1.00 70.04 H new ATOM 0 HA SER A 122 1.263 -7.240 -21.255 1.00 33.11 H new ATOM 0 HB2 SER A 122 -0.258 -5.584 -20.085 1.00 24.22 H new ATOM 0 HB3 SER A 122 -1.050 -7.051 -20.626 1.00 24.22 H new ATOM 0 HG SER A 122 -1.432 -6.261 -18.340 1.00 71.53 H new ATOM 1854 N LYS A 123 2.228 -5.239 -19.692 1.00 50.12 N ATOM 1855 CA LYS A 123 3.222 -4.396 -19.037 1.00 20.13 C ATOM 1856 C LYS A 123 2.753 -2.947 -18.978 1.00 41.15 C ATOM 1857 O LYS A 123 2.577 -2.297 -20.009 1.00 53.12 O ATOM 1858 CB LYS A 123 4.559 -4.482 -19.776 1.00 11.32 C ATOM 1859 CG LYS A 123 5.736 -3.958 -18.968 1.00 70.45 C ATOM 1860 CD LYS A 123 6.065 -2.519 -19.331 1.00 32.22 C ATOM 1861 CE LYS A 123 6.905 -2.443 -20.596 1.00 15.35 C ATOM 1862 NZ LYS A 123 8.363 -2.424 -20.293 1.00 13.25 N ATOM 0 H LYS A 123 1.628 -4.746 -20.354 1.00 50.12 H new ATOM 0 HA LYS A 123 3.354 -4.757 -18.017 1.00 20.13 H new ATOM 0 HB2 LYS A 123 4.749 -5.521 -20.047 1.00 11.32 H new ATOM 0 HB3 LYS A 123 4.488 -3.918 -20.706 1.00 11.32 H new ATOM 0 HG2 LYS A 123 5.506 -4.022 -17.905 1.00 70.45 H new ATOM 0 HG3 LYS A 123 6.608 -4.587 -19.144 1.00 70.45 H new ATOM 0 HD2 LYS A 123 5.141 -1.958 -19.472 1.00 32.22 H new ATOM 0 HD3 LYS A 123 6.602 -2.048 -18.507 1.00 32.22 H new ATOM 0 HE2 LYS A 123 6.678 -3.297 -21.235 1.00 15.35 H new ATOM 0 HE3 LYS A 123 6.639 -1.546 -21.156 1.00 15.35 H new ATOM 0 HZ1 LYS A 123 8.902 -2.372 -21.181 1.00 13.25 H new ATOM 0 HZ2 LYS A 123 8.585 -1.596 -19.705 1.00 13.25 H new ATOM 0 HZ3 LYS A 123 8.623 -3.291 -19.781 1.00 13.25 H new ATOM 1876 N LYS A 124 2.553 -2.443 -17.764 1.00 51.42 N ATOM 1877 CA LYS A 124 2.108 -1.068 -17.571 1.00 15.32 C ATOM 1878 C LYS A 124 0.855 -0.781 -18.392 1.00 63.52 C ATOM 1879 O LYS A 124 -0.010 -0.012 -17.973 1.00 75.21 O ATOM 1880 CB LYS A 124 3.220 -0.091 -17.957 1.00 73.12 C ATOM 1881 CG LYS A 124 3.124 1.250 -17.247 1.00 3.54 C ATOM 1882 CD LYS A 124 4.304 1.470 -16.315 1.00 2.44 C ATOM 1883 CE LYS A 124 4.077 2.664 -15.401 1.00 54.33 C ATOM 1884 NZ LYS A 124 5.170 3.668 -15.517 1.00 2.54 N ATOM 0 H LYS A 124 2.692 -2.966 -16.900 1.00 51.42 H new ATOM 0 HA LYS A 124 1.867 -0.935 -16.516 1.00 15.32 H new ATOM 0 HB2 LYS A 124 4.185 -0.544 -17.731 1.00 73.12 H new ATOM 0 HB3 LYS A 124 3.190 0.074 -19.034 1.00 73.12 H new ATOM 0 HG2 LYS A 124 3.086 2.052 -17.984 1.00 3.54 H new ATOM 0 HG3 LYS A 124 2.195 1.296 -16.678 1.00 3.54 H new ATOM 0 HD2 LYS A 124 4.466 0.575 -15.713 1.00 2.44 H new ATOM 0 HD3 LYS A 124 5.209 1.627 -16.902 1.00 2.44 H new ATOM 0 HE2 LYS A 124 3.125 3.134 -15.647 1.00 54.33 H new ATOM 0 HE3 LYS A 124 4.006 2.322 -14.368 1.00 54.33 H new ATOM 0 HZ1 LYS A 124 4.978 4.466 -14.878 1.00 2.54 H new ATOM 0 HZ2 LYS A 124 6.075 3.227 -15.257 1.00 2.54 H new ATOM 0 HZ3 LYS A 124 5.222 4.013 -16.497 1.00 2.54 H new TER 1898 LYS A 124