USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 160:sc= -0.902 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -164:sc= -0.0331 (180deg=-0.356) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 140:sc= -2.87 USER MOD Single : A 23 THR OG1 : rot -51:sc= 1.29 USER MOD Single : A 24 MET CE :methyl -130:sc= -2.14 (180deg=-5.2!) USER MOD Single : A 27 HIS : no HE2:sc= -1.83 X(o=-1.8,f=-2.2) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.111 (180deg=-0.443) USER MOD Single : A 34 GLN : amide:sc= -1.8 K(o=-1.8,f=-7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 44 TYR OH : rot 30:sc=-0.000564 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -2.21! C(o=-3!,f=-2.2!) USER MOD Single : A 70 MET CE :methyl -172:sc= 0 (180deg=-0.0847) USER MOD Single : A 73 GLN : amide:sc= -0.0873 K(o=-0.087,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.0724 F(o=-0.59,f=-0.072) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.004 -1.215 1.096 1.00 53.11 N ATOM 2 CA GLY A 1 -0.782 -1.367 0.328 1.00 31.03 C ATOM 3 C GLY A 1 -1.032 -1.359 -1.167 1.00 4.22 C ATOM 4 O GLY A 1 -1.501 -2.347 -1.730 1.00 23.41 O ATOM 0 H1 GLY A 1 -1.780 -1.227 2.111 1.00 53.11 H new ATOM 0 H2 GLY A 1 -2.457 -0.311 0.852 1.00 53.11 H new ATOM 0 H3 GLY A 1 -2.652 -1.998 0.876 1.00 53.11 H new ATOM 0 HA2 GLY A 1 -0.094 -0.561 0.582 1.00 31.03 H new ATOM 0 HA3 GLY A 1 -0.295 -2.302 0.607 1.00 31.03 H new ATOM 8 N ALA A 2 -0.719 -0.239 -1.811 1.00 61.42 N ATOM 9 CA ALA A 2 -0.912 -0.107 -3.250 1.00 3.21 C ATOM 10 C ALA A 2 -0.107 1.063 -3.806 1.00 60.12 C ATOM 11 O ALA A 2 0.721 1.646 -3.108 1.00 3.44 O ATOM 12 CB ALA A 2 -2.389 0.066 -3.571 1.00 1.43 C ATOM 0 H ALA A 2 -0.331 0.589 -1.359 1.00 61.42 H new ATOM 0 HA ALA A 2 -0.553 -1.020 -3.725 1.00 3.21 H new ATOM 0 HB1 ALA A 2 -2.518 0.163 -4.649 1.00 1.43 H new ATOM 0 HB2 ALA A 2 -2.943 -0.803 -3.216 1.00 1.43 H new ATOM 0 HB3 ALA A 2 -2.766 0.962 -3.078 1.00 1.43 H new ATOM 18 N MET A 3 -0.356 1.400 -5.067 1.00 62.45 N ATOM 19 CA MET A 3 0.346 2.501 -5.717 1.00 22.32 C ATOM 20 C MET A 3 0.037 3.825 -5.026 1.00 54.24 C ATOM 21 O MET A 3 -0.897 3.917 -4.229 1.00 45.14 O ATOM 22 CB MET A 3 -0.041 2.580 -7.195 1.00 31.23 C ATOM 23 CG MET A 3 0.190 1.283 -7.954 1.00 13.14 C ATOM 24 SD MET A 3 -0.196 1.428 -9.709 1.00 60.41 S ATOM 25 CE MET A 3 -1.969 1.675 -9.647 1.00 2.21 C ATOM 0 H MET A 3 -1.038 0.927 -5.659 1.00 62.45 H new ATOM 0 HA MET A 3 1.417 2.312 -5.640 1.00 22.32 H new ATOM 0 HB2 MET A 3 -1.093 2.854 -7.272 1.00 31.23 H new ATOM 0 HB3 MET A 3 0.532 3.376 -7.670 1.00 31.23 H new ATOM 0 HG2 MET A 3 1.230 0.979 -7.839 1.00 13.14 H new ATOM 0 HG3 MET A 3 -0.423 0.495 -7.515 1.00 13.14 H new ATOM 0 HE1 MET A 3 -2.396 1.500 -10.635 1.00 2.21 H new ATOM 0 HE2 MET A 3 -2.409 0.979 -8.933 1.00 2.21 H new ATOM 0 HE3 MET A 3 -2.183 2.697 -9.336 1.00 2.21 H new ATOM 35 N ALA A 4 0.826 4.848 -5.338 1.00 13.33 N ATOM 36 CA ALA A 4 0.634 6.168 -4.748 1.00 62.44 C ATOM 37 C ALA A 4 0.383 7.218 -5.825 1.00 12.44 C ATOM 38 O ALA A 4 0.171 6.887 -6.991 1.00 44.23 O ATOM 39 CB ALA A 4 1.843 6.550 -3.907 1.00 15.14 C ATOM 0 H ALA A 4 1.604 4.789 -5.995 1.00 13.33 H new ATOM 0 HA ALA A 4 -0.245 6.128 -4.104 1.00 62.44 H new ATOM 0 HB1 ALA A 4 1.687 7.537 -3.472 1.00 15.14 H new ATOM 0 HB2 ALA A 4 1.977 5.819 -3.109 1.00 15.14 H new ATOM 0 HB3 ALA A 4 2.733 6.567 -4.536 1.00 15.14 H new ATOM 45 N ARG A 5 0.407 8.486 -5.425 1.00 33.42 N ATOM 46 CA ARG A 5 0.179 9.585 -6.355 1.00 63.33 C ATOM 47 C ARG A 5 1.494 10.063 -6.964 1.00 24.50 C ATOM 48 O ARG A 5 1.544 10.457 -8.129 1.00 14.14 O ATOM 49 CB ARG A 5 -0.518 10.746 -5.645 1.00 51.31 C ATOM 50 CG ARG A 5 -1.715 10.320 -4.811 1.00 72.22 C ATOM 51 CD ARG A 5 -2.700 9.499 -5.629 1.00 41.02 C ATOM 52 NE ARG A 5 -4.077 9.692 -5.182 1.00 61.43 N ATOM 53 CZ ARG A 5 -5.118 9.064 -5.718 1.00 21.34 C ATOM 54 NH1 ARG A 5 -4.939 8.207 -6.714 1.00 11.04 N ATOM 55 NH2 ARG A 5 -6.341 9.292 -5.256 1.00 61.23 N ATOM 0 H ARG A 5 0.582 8.777 -4.463 1.00 33.42 H new ATOM 0 HA ARG A 5 -0.463 9.221 -7.158 1.00 63.33 H new ATOM 0 HB2 ARG A 5 0.202 11.251 -5.001 1.00 51.31 H new ATOM 0 HB3 ARG A 5 -0.845 11.472 -6.389 1.00 51.31 H new ATOM 0 HG2 ARG A 5 -1.375 9.736 -3.956 1.00 72.22 H new ATOM 0 HG3 ARG A 5 -2.216 11.203 -4.415 1.00 72.22 H new ATOM 0 HD2 ARG A 5 -2.618 9.776 -6.680 1.00 41.02 H new ATOM 0 HD3 ARG A 5 -2.440 8.443 -5.556 1.00 41.02 H new ATOM 0 HE ARG A 5 -4.249 10.344 -4.417 1.00 61.43 H new ATOM 0 HH11 ARG A 5 -4.000 8.028 -7.071 1.00 11.04 H new ATOM 0 HH12 ARG A 5 -5.740 7.726 -7.123 1.00 11.04 H new ATOM 0 HH21 ARG A 5 -6.482 9.950 -4.489 1.00 61.23 H new ATOM 0 HH22 ARG A 5 -7.140 8.810 -5.668 1.00 61.23 H new ATOM 69 N ALA A 6 2.558 10.024 -6.167 1.00 54.44 N ATOM 70 CA ALA A 6 3.873 10.452 -6.628 1.00 31.21 C ATOM 71 C ALA A 6 3.807 11.833 -7.271 1.00 4.14 C ATOM 72 O ALA A 6 4.575 12.140 -8.182 1.00 72.12 O ATOM 73 CB ALA A 6 4.444 9.438 -7.608 1.00 60.12 C ATOM 0 H ALA A 6 2.534 9.701 -5.200 1.00 54.44 H new ATOM 0 HA ALA A 6 4.532 10.515 -5.762 1.00 31.21 H new ATOM 0 HB1 ALA A 6 5.426 9.770 -7.944 1.00 60.12 H new ATOM 0 HB2 ALA A 6 4.537 8.470 -7.117 1.00 60.12 H new ATOM 0 HB3 ALA A 6 3.778 9.347 -8.466 1.00 60.12 H new ATOM 79 N GLU A 7 2.886 12.662 -6.790 1.00 34.53 N ATOM 80 CA GLU A 7 2.720 14.010 -7.320 1.00 21.23 C ATOM 81 C GLU A 7 4.047 14.764 -7.312 1.00 14.10 C ATOM 82 O GLU A 7 4.349 15.517 -8.237 1.00 12.31 O ATOM 83 CB GLU A 7 1.679 14.778 -6.503 1.00 51.53 C ATOM 84 CG GLU A 7 1.415 16.182 -7.021 1.00 55.24 C ATOM 85 CD GLU A 7 0.584 16.189 -8.290 1.00 11.00 C ATOM 86 OE1 GLU A 7 0.537 15.146 -8.975 1.00 32.13 O ATOM 87 OE2 GLU A 7 -0.019 17.238 -8.598 1.00 14.44 O ATOM 0 H GLU A 7 2.244 12.424 -6.034 1.00 34.53 H new ATOM 0 HA GLU A 7 2.374 13.929 -8.350 1.00 21.23 H new ATOM 0 HB2 GLU A 7 0.744 14.218 -6.503 1.00 51.53 H new ATOM 0 HB3 GLU A 7 2.014 14.839 -5.468 1.00 51.53 H new ATOM 0 HG2 GLU A 7 0.901 16.759 -6.252 1.00 55.24 H new ATOM 0 HG3 GLU A 7 2.366 16.680 -7.211 1.00 55.24 H new ATOM 94 N GLU A 8 4.833 14.556 -6.261 1.00 21.43 N ATOM 95 CA GLU A 8 6.126 15.217 -6.132 1.00 23.10 C ATOM 96 C GLU A 8 7.170 14.549 -7.022 1.00 62.32 C ATOM 97 O GLU A 8 8.174 15.161 -7.388 1.00 22.01 O ATOM 98 CB GLU A 8 6.593 15.194 -4.675 1.00 11.21 C ATOM 99 CG GLU A 8 8.025 15.664 -4.487 1.00 45.41 C ATOM 100 CD GLU A 8 8.333 16.037 -3.050 1.00 4.41 C ATOM 101 OE1 GLU A 8 7.705 15.459 -2.139 1.00 3.23 O ATOM 102 OE2 GLU A 8 9.203 16.908 -2.837 1.00 24.20 O ATOM 0 H GLU A 8 4.597 13.935 -5.487 1.00 21.43 H new ATOM 0 HA GLU A 8 6.009 16.252 -6.452 1.00 23.10 H new ATOM 0 HB2 GLU A 8 5.932 15.824 -4.080 1.00 11.21 H new ATOM 0 HB3 GLU A 8 6.499 14.179 -4.288 1.00 11.21 H new ATOM 0 HG2 GLU A 8 8.707 14.877 -4.808 1.00 45.41 H new ATOM 0 HG3 GLU A 8 8.208 16.526 -5.129 1.00 45.41 H new ATOM 109 N HIS A 9 6.926 13.288 -7.367 1.00 51.40 N ATOM 110 CA HIS A 9 7.844 12.536 -8.214 1.00 62.15 C ATOM 111 C HIS A 9 7.604 12.849 -9.688 1.00 40.52 C ATOM 112 O HIS A 9 8.241 12.269 -10.568 1.00 3.33 O ATOM 113 CB HIS A 9 7.686 11.035 -7.968 1.00 14.31 C ATOM 114 CG HIS A 9 8.985 10.290 -7.953 1.00 52.21 C ATOM 115 ND1 HIS A 9 9.496 9.691 -6.821 1.00 73.23 N ATOM 116 CD2 HIS A 9 9.878 10.048 -8.941 1.00 75.32 C ATOM 117 CE1 HIS A 9 10.647 9.113 -7.113 1.00 44.34 C ATOM 118 NE2 HIS A 9 10.902 9.315 -8.394 1.00 33.22 N ATOM 0 H HIS A 9 6.100 12.766 -7.073 1.00 51.40 H new ATOM 0 HA HIS A 9 8.861 12.834 -7.958 1.00 62.15 H new ATOM 0 HB2 HIS A 9 7.178 10.883 -7.015 1.00 14.31 H new ATOM 0 HB3 HIS A 9 7.044 10.614 -8.742 1.00 14.31 H new ATOM 0 HD2 HIS A 9 9.800 10.371 -9.968 1.00 75.32 H new ATOM 0 HE1 HIS A 9 11.273 8.568 -6.422 1.00 44.34 H new ATOM 0 HE2 HIS A 9 11.725 8.981 -8.895 1.00 33.22 H new ATOM 126 N ILE A 10 6.681 13.769 -9.950 1.00 3.03 N ATOM 127 CA ILE A 10 6.358 14.159 -11.316 1.00 51.04 C ATOM 128 C ILE A 10 7.393 15.133 -11.869 1.00 54.15 C ATOM 129 O ILE A 10 8.039 14.860 -12.881 1.00 41.11 O ATOM 130 CB ILE A 10 4.963 14.806 -11.402 1.00 71.02 C ATOM 131 CG1 ILE A 10 3.897 13.843 -10.875 1.00 50.20 C ATOM 132 CG2 ILE A 10 4.655 15.213 -12.835 1.00 71.45 C ATOM 133 CD1 ILE A 10 2.489 14.386 -10.977 1.00 72.14 C ATOM 0 H ILE A 10 6.144 14.258 -9.234 1.00 3.03 H new ATOM 0 HA ILE A 10 6.364 13.248 -11.914 1.00 51.04 H new ATOM 0 HB ILE A 10 4.955 15.702 -10.781 1.00 71.02 H new ATOM 0 HG12 ILE A 10 3.958 12.907 -11.430 1.00 50.20 H new ATOM 0 HG13 ILE A 10 4.113 13.610 -9.832 1.00 50.20 H new ATOM 0 HG21 ILE A 10 3.666 15.669 -12.879 1.00 71.45 H new ATOM 0 HG22 ILE A 10 5.401 15.930 -13.178 1.00 71.45 H new ATOM 0 HG23 ILE A 10 4.678 14.332 -13.476 1.00 71.45 H new ATOM 0 HD11 ILE A 10 1.786 13.651 -10.585 1.00 72.14 H new ATOM 0 HD12 ILE A 10 2.411 15.306 -10.398 1.00 72.14 H new ATOM 0 HD13 ILE A 10 2.254 14.593 -12.021 1.00 72.14 H new ATOM 145 N TYR A 11 7.545 16.269 -11.198 1.00 43.24 N ATOM 146 CA TYR A 11 8.501 17.285 -11.623 1.00 24.02 C ATOM 147 C TYR A 11 9.582 17.492 -10.566 1.00 30.53 C ATOM 148 O TYR A 11 9.287 17.824 -9.418 1.00 4.43 O ATOM 149 CB TYR A 11 7.784 18.607 -11.899 1.00 54.14 C ATOM 150 CG TYR A 11 6.917 18.578 -13.138 1.00 34.22 C ATOM 151 CD1 TYR A 11 7.481 18.643 -14.406 1.00 73.21 C ATOM 152 CD2 TYR A 11 5.534 18.486 -13.040 1.00 12.20 C ATOM 153 CE1 TYR A 11 6.693 18.617 -15.541 1.00 13.15 C ATOM 154 CE2 TYR A 11 4.738 18.458 -14.169 1.00 1.42 C ATOM 155 CZ TYR A 11 5.322 18.524 -15.417 1.00 1.33 C ATOM 156 OH TYR A 11 4.533 18.498 -16.544 1.00 12.24 O ATOM 0 H TYR A 11 7.019 16.510 -10.358 1.00 43.24 H new ATOM 0 HA TYR A 11 8.976 16.938 -12.541 1.00 24.02 H new ATOM 0 HB2 TYR A 11 7.165 18.862 -11.039 1.00 54.14 H new ATOM 0 HB3 TYR A 11 8.526 19.398 -12.003 1.00 54.14 H new ATOM 0 HD1 TYR A 11 8.554 18.715 -14.506 1.00 73.21 H new ATOM 0 HD2 TYR A 11 5.073 18.436 -12.064 1.00 12.20 H new ATOM 0 HE1 TYR A 11 7.148 18.669 -16.519 1.00 13.15 H new ATOM 0 HE2 TYR A 11 3.665 18.385 -14.075 1.00 1.42 H new ATOM 0 HH TYR A 11 3.591 18.429 -16.282 1.00 12.24 H new ATOM 166 N ARG A 12 10.835 17.292 -10.963 1.00 35.03 N ATOM 167 CA ARG A 12 11.960 17.455 -10.051 1.00 2.33 C ATOM 168 C ARG A 12 12.157 18.924 -9.688 1.00 11.34 C ATOM 169 O ARG A 12 12.382 19.261 -8.526 1.00 20.03 O ATOM 170 CB ARG A 12 13.239 16.899 -10.680 1.00 33.21 C ATOM 171 CG ARG A 12 13.566 17.507 -12.034 1.00 12.01 C ATOM 172 CD ARG A 12 14.156 16.474 -12.981 1.00 20.22 C ATOM 173 NE ARG A 12 14.977 17.089 -14.020 1.00 1.41 N ATOM 174 CZ ARG A 12 15.374 16.453 -15.116 1.00 41.02 C ATOM 175 NH1 ARG A 12 15.027 15.189 -15.316 1.00 13.15 N ATOM 176 NH2 ARG A 12 16.120 17.081 -16.016 1.00 52.22 N ATOM 0 H ARG A 12 11.096 17.017 -11.910 1.00 35.03 H new ATOM 0 HA ARG A 12 11.740 16.899 -9.140 1.00 2.33 H new ATOM 0 HB2 ARG A 12 14.074 17.075 -10.001 1.00 33.21 H new ATOM 0 HB3 ARG A 12 13.140 15.819 -10.791 1.00 33.21 H new ATOM 0 HG2 ARG A 12 12.662 17.929 -12.472 1.00 12.01 H new ATOM 0 HG3 ARG A 12 14.271 18.328 -11.905 1.00 12.01 H new ATOM 0 HD2 ARG A 12 14.760 15.766 -12.414 1.00 20.22 H new ATOM 0 HD3 ARG A 12 13.350 15.906 -13.445 1.00 20.22 H new ATOM 0 HE ARG A 12 15.261 18.061 -13.897 1.00 1.41 H new ATOM 0 HH11 ARG A 12 14.454 14.702 -14.627 1.00 13.15 H new ATOM 0 HH12 ARG A 12 15.334 14.703 -16.159 1.00 13.15 H new ATOM 0 HH21 ARG A 12 16.389 18.053 -15.866 1.00 52.22 H new ATOM 0 HH22 ARG A 12 16.424 16.591 -16.857 1.00 52.22 H new ATOM 190 N GLU A 13 12.071 19.793 -10.690 1.00 53.11 N ATOM 191 CA GLU A 13 12.241 21.225 -10.475 1.00 52.45 C ATOM 192 C GLU A 13 11.219 21.750 -9.470 1.00 64.04 C ATOM 193 O GLU A 13 11.549 22.553 -8.596 1.00 72.55 O ATOM 194 CB GLU A 13 12.105 21.982 -11.799 1.00 23.52 C ATOM 195 CG GLU A 13 13.429 22.204 -12.511 1.00 71.42 C ATOM 196 CD GLU A 13 13.570 23.613 -13.054 1.00 23.54 C ATOM 197 OE1 GLU A 13 12.988 23.899 -14.121 1.00 5.35 O ATOM 198 OE2 GLU A 13 14.263 24.428 -12.410 1.00 42.52 O ATOM 0 H GLU A 13 11.885 19.531 -11.658 1.00 53.11 H new ATOM 0 HA GLU A 13 13.240 21.389 -10.071 1.00 52.45 H new ATOM 0 HB2 GLU A 13 11.436 21.428 -12.458 1.00 23.52 H new ATOM 0 HB3 GLU A 13 11.637 22.948 -11.609 1.00 23.52 H new ATOM 0 HG2 GLU A 13 14.247 22.001 -11.820 1.00 71.42 H new ATOM 0 HG3 GLU A 13 13.520 21.492 -13.331 1.00 71.42 H new ATOM 205 N ILE A 14 9.979 21.291 -9.602 1.00 3.30 N ATOM 206 CA ILE A 14 8.910 21.713 -8.706 1.00 1.52 C ATOM 207 C ILE A 14 9.258 21.408 -7.253 1.00 11.02 C ATOM 208 O ILE A 14 8.689 21.993 -6.332 1.00 32.12 O ATOM 209 CB ILE A 14 7.577 21.028 -9.058 1.00 32.42 C ATOM 210 CG1 ILE A 14 7.150 21.393 -10.481 1.00 2.31 C ATOM 211 CG2 ILE A 14 6.499 21.420 -8.058 1.00 41.54 C ATOM 212 CD1 ILE A 14 6.916 22.874 -10.680 1.00 11.53 C ATOM 0 H ILE A 14 9.690 20.627 -10.321 1.00 3.30 H new ATOM 0 HA ILE A 14 8.799 22.790 -8.832 1.00 1.52 H new ATOM 0 HB ILE A 14 7.717 19.948 -9.007 1.00 32.42 H new ATOM 0 HG12 ILE A 14 7.917 21.057 -11.179 1.00 2.31 H new ATOM 0 HG13 ILE A 14 6.236 20.853 -10.727 1.00 2.31 H new ATOM 0 HG21 ILE A 14 5.563 20.928 -8.321 1.00 41.54 H new ATOM 0 HG22 ILE A 14 6.802 21.113 -7.057 1.00 41.54 H new ATOM 0 HG23 ILE A 14 6.359 22.501 -8.079 1.00 41.54 H new ATOM 0 HD11 ILE A 14 6.616 23.060 -11.711 1.00 11.53 H new ATOM 0 HD12 ILE A 14 6.128 23.212 -10.007 1.00 11.53 H new ATOM 0 HD13 ILE A 14 7.835 23.420 -10.466 1.00 11.53 H new ATOM 224 N MET A 15 10.198 20.489 -7.056 1.00 13.23 N ATOM 225 CA MET A 15 10.624 20.108 -5.714 1.00 50.31 C ATOM 226 C MET A 15 10.982 21.339 -4.888 1.00 3.25 C ATOM 227 O MET A 15 10.913 21.314 -3.659 1.00 63.03 O ATOM 228 CB MET A 15 11.823 19.161 -5.787 1.00 4.35 C ATOM 229 CG MET A 15 12.253 18.620 -4.433 1.00 33.33 C ATOM 230 SD MET A 15 13.011 16.988 -4.546 1.00 64.02 S ATOM 231 CE MET A 15 14.020 16.980 -3.066 1.00 35.42 C ATOM 0 H MET A 15 10.679 19.995 -7.808 1.00 13.23 H new ATOM 0 HA MET A 15 9.794 19.595 -5.227 1.00 50.31 H new ATOM 0 HB2 MET A 15 11.576 18.325 -6.441 1.00 4.35 H new ATOM 0 HB3 MET A 15 12.663 19.685 -6.243 1.00 4.35 H new ATOM 0 HG2 MET A 15 12.959 19.314 -3.977 1.00 33.33 H new ATOM 0 HG3 MET A 15 11.386 18.569 -3.775 1.00 33.33 H new ATOM 0 HE1 MET A 15 14.553 16.032 -2.994 1.00 35.42 H new ATOM 0 HE2 MET A 15 14.739 17.798 -3.111 1.00 35.42 H new ATOM 0 HE3 MET A 15 13.383 17.105 -2.191 1.00 35.42 H new ATOM 241 N GLU A 16 11.365 22.414 -5.570 1.00 0.01 N ATOM 242 CA GLU A 16 11.735 23.654 -4.897 1.00 21.52 C ATOM 243 C GLU A 16 10.624 24.116 -3.959 1.00 53.10 C ATOM 244 O GLU A 16 10.841 24.291 -2.759 1.00 73.51 O ATOM 245 CB GLU A 16 12.039 24.746 -5.924 1.00 12.53 C ATOM 246 CG GLU A 16 13.375 24.569 -6.625 1.00 30.51 C ATOM 247 CD GLU A 16 14.523 24.381 -5.653 1.00 24.42 C ATOM 248 OE1 GLU A 16 14.564 25.103 -4.635 1.00 64.01 O ATOM 249 OE2 GLU A 16 15.381 23.510 -5.910 1.00 44.22 O ATOM 0 H GLU A 16 11.427 22.451 -6.587 1.00 0.01 H new ATOM 0 HA GLU A 16 12.630 23.464 -4.305 1.00 21.52 H new ATOM 0 HB2 GLU A 16 11.246 24.761 -6.671 1.00 12.53 H new ATOM 0 HB3 GLU A 16 12.026 25.715 -5.426 1.00 12.53 H new ATOM 0 HG2 GLU A 16 13.321 23.706 -7.289 1.00 30.51 H new ATOM 0 HG3 GLU A 16 13.572 25.440 -7.250 1.00 30.51 H new ATOM 256 N LEU A 17 9.433 24.314 -4.514 1.00 63.34 N ATOM 257 CA LEU A 17 8.287 24.757 -3.729 1.00 34.30 C ATOM 258 C LEU A 17 7.608 23.576 -3.042 1.00 61.10 C ATOM 259 O LEU A 17 7.284 23.638 -1.856 1.00 33.05 O ATOM 260 CB LEU A 17 7.283 25.487 -4.623 1.00 13.02 C ATOM 261 CG LEU A 17 6.394 26.520 -3.929 1.00 51.12 C ATOM 262 CD1 LEU A 17 6.872 27.930 -4.240 1.00 22.04 C ATOM 263 CD2 LEU A 17 4.942 26.343 -4.350 1.00 22.34 C ATOM 0 H LEU A 17 9.236 24.175 -5.505 1.00 63.34 H new ATOM 0 HA LEU A 17 8.647 25.442 -2.962 1.00 34.30 H new ATOM 0 HB2 LEU A 17 7.833 25.987 -5.420 1.00 13.02 H new ATOM 0 HB3 LEU A 17 6.641 24.744 -5.096 1.00 13.02 H new ATOM 0 HG LEU A 17 6.461 26.364 -2.852 1.00 51.12 H new ATOM 0 HD11 LEU A 17 6.228 28.652 -3.738 1.00 22.04 H new ATOM 0 HD12 LEU A 17 7.897 28.053 -3.889 1.00 22.04 H new ATOM 0 HD13 LEU A 17 6.835 28.098 -5.316 1.00 22.04 H new ATOM 0 HD21 LEU A 17 4.324 27.086 -3.846 1.00 22.34 H new ATOM 0 HD22 LEU A 17 4.858 26.472 -5.429 1.00 22.34 H new ATOM 0 HD23 LEU A 17 4.603 25.344 -4.076 1.00 22.34 H new ATOM 275 N CYS A 18 7.399 22.501 -3.794 1.00 53.33 N ATOM 276 CA CYS A 18 6.760 21.305 -3.257 1.00 61.24 C ATOM 277 C CYS A 18 7.389 20.903 -1.927 1.00 51.22 C ATOM 278 O CYS A 18 6.697 20.461 -1.010 1.00 0.33 O ATOM 279 CB CYS A 18 6.869 20.152 -4.256 1.00 23.41 C ATOM 280 SG CYS A 18 6.287 18.564 -3.616 1.00 64.32 S ATOM 0 H CYS A 18 7.663 22.433 -4.777 1.00 53.33 H new ATOM 0 HA CYS A 18 5.707 21.530 -3.086 1.00 61.24 H new ATOM 0 HB2 CYS A 18 6.297 20.404 -5.149 1.00 23.41 H new ATOM 0 HB3 CYS A 18 7.910 20.049 -4.563 1.00 23.41 H new ATOM 0 HG CYS A 18 5.629 17.937 -4.545 1.00 64.32 H new ATOM 286 N PHE A 19 8.705 21.058 -1.830 1.00 42.13 N ATOM 287 CA PHE A 19 9.428 20.709 -0.613 1.00 45.11 C ATOM 288 C PHE A 19 8.820 21.406 0.600 1.00 13.21 C ATOM 289 O PHE A 19 8.664 20.805 1.663 1.00 64.41 O ATOM 290 CB PHE A 19 10.905 21.088 -0.745 1.00 70.15 C ATOM 291 CG PHE A 19 11.699 20.851 0.507 1.00 64.51 C ATOM 292 CD1 PHE A 19 11.762 21.818 1.497 1.00 30.32 C ATOM 293 CD2 PHE A 19 12.383 19.660 0.694 1.00 1.12 C ATOM 294 CE1 PHE A 19 12.493 21.602 2.650 1.00 31.11 C ATOM 295 CE2 PHE A 19 13.115 19.439 1.845 1.00 25.54 C ATOM 296 CZ PHE A 19 13.169 20.410 2.825 1.00 4.50 C ATOM 0 H PHE A 19 9.293 21.423 -2.580 1.00 42.13 H new ATOM 0 HA PHE A 19 9.347 19.632 -0.469 1.00 45.11 H new ATOM 0 HB2 PHE A 19 11.347 20.515 -1.560 1.00 70.15 H new ATOM 0 HB3 PHE A 19 10.979 22.141 -1.019 1.00 70.15 H new ATOM 0 HD1 PHE A 19 11.234 22.751 1.366 1.00 30.32 H new ATOM 0 HD2 PHE A 19 12.343 18.896 -0.068 1.00 1.12 H new ATOM 0 HE1 PHE A 19 12.536 22.365 3.414 1.00 31.11 H new ATOM 0 HE2 PHE A 19 13.645 18.507 1.978 1.00 25.54 H new ATOM 0 HZ PHE A 19 13.738 20.238 3.726 1.00 4.50 H new ATOM 306 N VAL A 20 8.477 22.680 0.433 1.00 23.23 N ATOM 307 CA VAL A 20 7.885 23.460 1.513 1.00 21.04 C ATOM 308 C VAL A 20 6.421 23.089 1.720 1.00 11.33 C ATOM 309 O VAL A 20 5.946 23.005 2.853 1.00 32.41 O ATOM 310 CB VAL A 20 7.986 24.971 1.235 1.00 42.44 C ATOM 311 CG1 VAL A 20 7.209 25.760 2.278 1.00 42.03 C ATOM 312 CG2 VAL A 20 9.442 25.410 1.199 1.00 64.25 C ATOM 0 H VAL A 20 8.599 23.193 -0.440 1.00 23.23 H new ATOM 0 HA VAL A 20 8.447 23.226 2.417 1.00 21.04 H new ATOM 0 HB VAL A 20 7.545 25.173 0.259 1.00 42.44 H new ATOM 0 HG11 VAL A 20 7.292 26.826 2.065 1.00 42.03 H new ATOM 0 HG12 VAL A 20 6.160 25.465 2.250 1.00 42.03 H new ATOM 0 HG13 VAL A 20 7.617 25.555 3.268 1.00 42.03 H new ATOM 0 HG21 VAL A 20 9.494 26.481 1.001 1.00 64.25 H new ATOM 0 HG22 VAL A 20 9.911 25.195 2.159 1.00 64.25 H new ATOM 0 HG23 VAL A 20 9.966 24.869 0.410 1.00 64.25 H new ATOM 322 N ILE A 21 5.711 22.869 0.619 1.00 31.10 N ATOM 323 CA ILE A 21 4.301 22.505 0.680 1.00 54.41 C ATOM 324 C ILE A 21 4.110 21.154 1.361 1.00 41.33 C ATOM 325 O ILE A 21 3.096 20.916 2.017 1.00 70.12 O ATOM 326 CB ILE A 21 3.672 22.453 -0.725 1.00 14.01 C ATOM 327 CG1 ILE A 21 4.001 23.728 -1.503 1.00 45.41 C ATOM 328 CG2 ILE A 21 2.166 22.262 -0.624 1.00 54.21 C ATOM 329 CD1 ILE A 21 3.657 24.998 -0.756 1.00 44.03 C ATOM 0 H ILE A 21 6.089 22.936 -0.326 1.00 31.10 H new ATOM 0 HA ILE A 21 3.801 23.277 1.265 1.00 54.41 H new ATOM 0 HB ILE A 21 4.092 21.603 -1.263 1.00 14.01 H new ATOM 0 HG12 ILE A 21 5.064 23.734 -1.742 1.00 45.41 H new ATOM 0 HG13 ILE A 21 3.461 23.716 -2.450 1.00 45.41 H new ATOM 0 HG21 ILE A 21 1.736 22.227 -1.625 1.00 54.21 H new ATOM 0 HG22 ILE A 21 1.952 21.328 -0.104 1.00 54.21 H new ATOM 0 HG23 ILE A 21 1.730 23.094 -0.070 1.00 54.21 H new ATOM 0 HD11 ILE A 21 3.917 25.862 -1.368 1.00 44.03 H new ATOM 0 HD12 ILE A 21 2.589 25.015 -0.540 1.00 44.03 H new ATOM 0 HD13 ILE A 21 4.217 25.033 0.179 1.00 44.03 H new ATOM 341 N ARG A 22 5.093 20.274 1.202 1.00 73.15 N ATOM 342 CA ARG A 22 5.034 18.946 1.801 1.00 12.44 C ATOM 343 C ARG A 22 5.151 19.031 3.320 1.00 33.55 C ATOM 344 O ARG A 22 4.627 18.182 4.043 1.00 63.51 O ATOM 345 CB ARG A 22 6.148 18.061 1.242 1.00 63.53 C ATOM 346 CG ARG A 22 6.321 16.751 1.993 1.00 31.24 C ATOM 347 CD ARG A 22 7.393 15.880 1.357 1.00 53.13 C ATOM 348 NE ARG A 22 8.713 16.501 1.423 1.00 51.03 N ATOM 349 CZ ARG A 22 9.784 16.017 0.805 1.00 64.05 C ATOM 350 NH1 ARG A 22 9.692 14.912 0.078 1.00 71.13 N ATOM 351 NH2 ARG A 22 10.952 16.639 0.912 1.00 34.13 N ATOM 0 H ARG A 22 5.940 20.457 0.663 1.00 73.15 H new ATOM 0 HA ARG A 22 4.069 18.504 1.551 1.00 12.44 H new ATOM 0 HB2 ARG A 22 5.937 17.844 0.195 1.00 63.53 H new ATOM 0 HB3 ARG A 22 7.088 18.613 1.270 1.00 63.53 H new ATOM 0 HG2 ARG A 22 6.587 16.957 3.030 1.00 31.24 H new ATOM 0 HG3 ARG A 22 5.374 16.211 2.008 1.00 31.24 H new ATOM 0 HD2 ARG A 22 7.421 14.914 1.861 1.00 53.13 H new ATOM 0 HD3 ARG A 22 7.134 15.689 0.316 1.00 53.13 H new ATOM 0 HE ARG A 22 8.818 17.353 1.974 1.00 51.03 H new ATOM 0 HH11 ARG A 22 8.797 14.431 -0.008 1.00 71.13 H new ATOM 0 HH12 ARG A 22 10.517 14.543 -0.395 1.00 71.13 H new ATOM 0 HH21 ARG A 22 11.028 17.490 1.470 1.00 34.13 H new ATOM 0 HH22 ARG A 22 11.774 16.266 0.437 1.00 34.13 H new ATOM 365 N THR A 23 5.842 20.060 3.800 1.00 52.34 N ATOM 366 CA THR A 23 6.029 20.255 5.232 1.00 63.22 C ATOM 367 C THR A 23 4.720 20.639 5.911 1.00 54.25 C ATOM 368 O THR A 23 4.547 20.430 7.111 1.00 62.01 O ATOM 369 CB THR A 23 7.081 21.343 5.518 1.00 63.01 C ATOM 370 OG1 THR A 23 6.502 22.641 5.349 1.00 53.43 O ATOM 371 CG2 THR A 23 8.280 21.193 4.594 1.00 62.14 C ATOM 0 H THR A 23 6.282 20.772 3.217 1.00 52.34 H new ATOM 0 HA THR A 23 6.379 19.305 5.637 1.00 63.22 H new ATOM 0 HB THR A 23 7.419 21.228 6.548 1.00 63.01 H new ATOM 0 HG1 THR A 23 6.062 22.691 4.475 1.00 53.43 H new ATOM 0 HG21 THR A 23 9.009 21.972 4.815 1.00 62.14 H new ATOM 0 HG22 THR A 23 8.737 20.215 4.746 1.00 62.14 H new ATOM 0 HG23 THR A 23 7.954 21.284 3.558 1.00 62.14 H new ATOM 379 N MET A 24 3.799 21.202 5.134 1.00 21.24 N ATOM 380 CA MET A 24 2.503 21.614 5.662 1.00 63.53 C ATOM 381 C MET A 24 1.475 20.498 5.509 1.00 33.50 C ATOM 382 O MET A 24 0.838 20.091 6.480 1.00 32.22 O ATOM 383 CB MET A 24 2.015 22.875 4.946 1.00 31.43 C ATOM 384 CG MET A 24 2.854 24.106 5.245 1.00 44.24 C ATOM 385 SD MET A 24 2.531 24.787 6.882 1.00 11.44 S ATOM 386 CE MET A 24 0.791 25.191 6.743 1.00 5.44 C ATOM 0 H MET A 24 3.926 21.383 4.138 1.00 21.24 H new ATOM 0 HA MET A 24 2.622 21.831 6.724 1.00 63.53 H new ATOM 0 HB2 MET A 24 2.017 22.696 3.871 1.00 31.43 H new ATOM 0 HB3 MET A 24 0.982 23.070 5.235 1.00 31.43 H new ATOM 0 HG2 MET A 24 3.910 23.849 5.165 1.00 44.24 H new ATOM 0 HG3 MET A 24 2.654 24.869 4.493 1.00 44.24 H new ATOM 0 HE1 MET A 24 0.628 26.217 7.074 1.00 5.44 H new ATOM 0 HE2 MET A 24 0.476 25.090 5.704 1.00 5.44 H new ATOM 0 HE3 MET A 24 0.209 24.512 7.366 1.00 5.44 H new ATOM 396 N ALA A 25 1.318 20.007 4.284 1.00 52.11 N ATOM 397 CA ALA A 25 0.368 18.937 4.005 1.00 12.22 C ATOM 398 C ALA A 25 0.974 17.572 4.311 1.00 33.31 C ATOM 399 O ALA A 25 2.181 17.451 4.522 1.00 74.35 O ATOM 400 CB ALA A 25 -0.089 19.001 2.555 1.00 1.43 C ATOM 0 H ALA A 25 1.837 20.333 3.469 1.00 52.11 H new ATOM 0 HA ALA A 25 -0.497 19.075 4.653 1.00 12.22 H new ATOM 0 HB1 ALA A 25 -0.798 18.196 2.361 1.00 1.43 H new ATOM 0 HB2 ALA A 25 -0.570 19.961 2.367 1.00 1.43 H new ATOM 0 HB3 ALA A 25 0.773 18.892 1.897 1.00 1.43 H new ATOM 406 N ARG A 26 0.129 16.546 4.335 1.00 55.33 N ATOM 407 CA ARG A 26 0.581 15.189 4.617 1.00 41.50 C ATOM 408 C ARG A 26 0.403 14.292 3.396 1.00 44.03 C ATOM 409 O ARG A 26 -0.382 13.344 3.418 1.00 71.11 O ATOM 410 CB ARG A 26 -0.188 14.610 5.806 1.00 63.54 C ATOM 411 CG ARG A 26 0.584 13.546 6.569 1.00 32.25 C ATOM 412 CD ARG A 26 0.960 14.024 7.963 1.00 32.43 C ATOM 413 NE ARG A 26 0.939 12.937 8.939 1.00 73.23 N ATOM 414 CZ ARG A 26 1.393 13.055 10.181 1.00 2.42 C ATOM 415 NH1 ARG A 26 1.901 14.207 10.598 1.00 42.14 N ATOM 416 NH2 ARG A 26 1.340 12.021 11.010 1.00 33.32 N ATOM 0 H ARG A 26 -0.873 16.629 4.162 1.00 55.33 H new ATOM 0 HA ARG A 26 1.642 15.230 4.864 1.00 41.50 H new ATOM 0 HB2 ARG A 26 -0.447 15.419 6.489 1.00 63.54 H new ATOM 0 HB3 ARG A 26 -1.124 14.182 5.449 1.00 63.54 H new ATOM 0 HG2 ARG A 26 -0.019 12.641 6.644 1.00 32.25 H new ATOM 0 HG3 ARG A 26 1.487 13.284 6.017 1.00 32.25 H new ATOM 0 HD2 ARG A 26 1.955 14.469 7.938 1.00 32.43 H new ATOM 0 HD3 ARG A 26 0.269 14.806 8.277 1.00 32.43 H new ATOM 0 HE ARG A 26 0.554 12.038 8.650 1.00 73.23 H new ATOM 0 HH11 ARG A 26 1.944 15.005 9.964 1.00 42.14 H new ATOM 0 HH12 ARG A 26 2.249 14.295 11.553 1.00 42.14 H new ATOM 0 HH21 ARG A 26 0.950 11.133 10.694 1.00 33.32 H new ATOM 0 HH22 ARG A 26 1.689 12.114 11.964 1.00 33.32 H new ATOM 430 N HIS A 27 1.138 14.598 2.331 1.00 50.01 N ATOM 431 CA HIS A 27 1.062 13.819 1.100 1.00 13.11 C ATOM 432 C HIS A 27 1.308 12.339 1.378 1.00 52.25 C ATOM 433 O HIS A 27 0.879 11.475 0.613 1.00 33.21 O ATOM 434 CB HIS A 27 2.078 14.335 0.081 1.00 25.14 C ATOM 435 CG HIS A 27 3.488 13.929 0.384 1.00 1.41 C ATOM 436 ND1 HIS A 27 4.348 13.426 -0.569 1.00 52.35 N ATOM 437 CD2 HIS A 27 4.188 13.957 1.542 1.00 32.44 C ATOM 438 CE1 HIS A 27 5.515 13.160 -0.010 1.00 73.14 C ATOM 439 NE2 HIS A 27 5.444 13.473 1.271 1.00 41.32 N ATOM 0 H HIS A 27 1.793 15.379 2.296 1.00 50.01 H new ATOM 0 HA HIS A 27 0.059 13.931 0.689 1.00 13.11 H new ATOM 0 HB2 HIS A 27 1.807 13.967 -0.909 1.00 25.14 H new ATOM 0 HB3 HIS A 27 2.022 15.423 0.043 1.00 25.14 H new ATOM 0 HD1 HIS A 27 4.119 13.282 -1.552 1.00 52.35 H new ATOM 0 HD2 HIS A 27 3.826 14.297 2.501 1.00 32.44 H new ATOM 0 HE1 HIS A 27 6.380 12.755 -0.515 1.00 73.14 H new ATOM 447 N ARG A 28 2.001 12.055 2.475 1.00 44.20 N ATOM 448 CA ARG A 28 2.306 10.680 2.852 1.00 41.22 C ATOM 449 C ARG A 28 1.048 9.818 2.826 1.00 34.20 C ATOM 450 O ARG A 28 1.087 8.656 2.419 1.00 2.54 O ATOM 451 CB ARG A 28 2.937 10.639 4.245 1.00 65.54 C ATOM 452 CG ARG A 28 4.406 10.245 4.236 1.00 14.33 C ATOM 453 CD ARG A 28 4.578 8.740 4.111 1.00 65.25 C ATOM 454 NE ARG A 28 5.686 8.246 4.924 1.00 45.22 N ATOM 455 CZ ARG A 28 6.237 7.047 4.766 1.00 14.44 C ATOM 456 NH1 ARG A 28 5.784 6.224 3.831 1.00 41.44 N ATOM 457 NH2 ARG A 28 7.242 6.670 5.546 1.00 61.13 N ATOM 0 H ARG A 28 2.362 12.759 3.119 1.00 44.20 H new ATOM 0 HA ARG A 28 3.015 10.279 2.128 1.00 41.22 H new ATOM 0 HB2 ARG A 28 2.835 11.620 4.710 1.00 65.54 H new ATOM 0 HB3 ARG A 28 2.384 9.933 4.865 1.00 65.54 H new ATOM 0 HG2 ARG A 28 4.912 10.740 3.407 1.00 14.33 H new ATOM 0 HG3 ARG A 28 4.883 10.592 5.153 1.00 14.33 H new ATOM 0 HD2 ARG A 28 3.656 8.243 4.414 1.00 65.25 H new ATOM 0 HD3 ARG A 28 4.751 8.480 3.067 1.00 65.25 H new ATOM 0 HE ARG A 28 6.057 8.855 5.653 1.00 45.22 H new ATOM 0 HH11 ARG A 28 5.011 6.510 3.231 1.00 41.44 H new ATOM 0 HH12 ARG A 28 6.209 5.304 3.712 1.00 41.44 H new ATOM 0 HH21 ARG A 28 7.592 7.301 6.267 1.00 61.13 H new ATOM 0 HH22 ARG A 28 7.665 5.750 5.424 1.00 61.13 H new ATOM 471 N ARG A 29 -0.067 10.394 3.263 1.00 33.04 N ATOM 472 CA ARG A 29 -1.337 9.678 3.292 1.00 21.21 C ATOM 473 C ARG A 29 -2.425 10.471 2.574 1.00 20.03 C ATOM 474 O ARG A 29 -3.569 10.026 2.475 1.00 25.13 O ATOM 475 CB ARG A 29 -1.759 9.404 4.737 1.00 75.44 C ATOM 476 CG ARG A 29 -1.726 7.931 5.112 1.00 55.12 C ATOM 477 CD ARG A 29 -3.052 7.477 5.703 1.00 60.12 C ATOM 478 NE ARG A 29 -4.173 7.752 4.808 1.00 30.11 N ATOM 479 CZ ARG A 29 -5.445 7.699 5.186 1.00 33.33 C ATOM 480 NH1 ARG A 29 -5.756 7.383 6.436 1.00 72.11 N ATOM 481 NH2 ARG A 29 -6.410 7.962 4.314 1.00 43.32 N ATOM 0 H ARG A 29 -0.117 11.355 3.602 1.00 33.04 H new ATOM 0 HA ARG A 29 -1.202 8.729 2.774 1.00 21.21 H new ATOM 0 HB2 ARG A 29 -1.102 9.956 5.409 1.00 75.44 H new ATOM 0 HB3 ARG A 29 -2.768 9.787 4.891 1.00 75.44 H new ATOM 0 HG2 ARG A 29 -1.497 7.335 4.229 1.00 55.12 H new ATOM 0 HG3 ARG A 29 -0.926 7.755 5.832 1.00 55.12 H new ATOM 0 HD2 ARG A 29 -3.009 6.408 5.912 1.00 60.12 H new ATOM 0 HD3 ARG A 29 -3.216 7.981 6.655 1.00 60.12 H new ATOM 0 HE ARG A 29 -3.968 7.998 3.840 1.00 30.11 H new ATOM 0 HH11 ARG A 29 -5.017 7.180 7.110 1.00 72.11 H new ATOM 0 HH12 ARG A 29 -6.734 7.343 6.724 1.00 72.11 H new ATOM 0 HH21 ARG A 29 -6.175 8.205 3.352 1.00 43.32 H new ATOM 0 HH22 ARG A 29 -7.386 7.921 4.606 1.00 43.32 H new ATOM 495 N ASP A 30 -2.061 11.647 2.076 1.00 1.42 N ATOM 496 CA ASP A 30 -3.005 12.503 1.367 1.00 35.30 C ATOM 497 C ASP A 30 -2.727 12.493 -0.133 1.00 11.22 C ATOM 498 O ASP A 30 -3.534 12.973 -0.927 1.00 75.14 O ATOM 499 CB ASP A 30 -2.932 13.933 1.903 1.00 53.42 C ATOM 500 CG ASP A 30 -3.392 14.036 3.344 1.00 52.33 C ATOM 501 OD1 ASP A 30 -4.234 13.212 3.759 1.00 62.24 O ATOM 502 OD2 ASP A 30 -2.910 14.941 4.057 1.00 60.32 O ATOM 0 H ASP A 30 -1.118 12.030 2.150 1.00 1.42 H new ATOM 0 HA ASP A 30 -4.009 12.112 1.535 1.00 35.30 H new ATOM 0 HB2 ASP A 30 -1.907 14.295 1.825 1.00 53.42 H new ATOM 0 HB3 ASP A 30 -3.548 14.583 1.281 1.00 53.42 H new ATOM 507 N GLY A 31 -1.577 11.944 -0.513 1.00 12.01 N ATOM 508 CA GLY A 31 -1.212 11.883 -1.916 1.00 51.51 C ATOM 509 C GLY A 31 -0.838 13.241 -2.477 1.00 3.12 C ATOM 510 O GLY A 31 0.343 13.565 -2.605 1.00 24.45 O ATOM 0 H GLY A 31 -0.892 11.541 0.126 1.00 12.01 H new ATOM 0 HA2 GLY A 31 -0.373 11.198 -2.041 1.00 51.51 H new ATOM 0 HA3 GLY A 31 -2.045 11.474 -2.488 1.00 51.51 H new ATOM 514 N LYS A 32 -1.846 14.038 -2.815 1.00 5.34 N ATOM 515 CA LYS A 32 -1.618 15.369 -3.366 1.00 24.14 C ATOM 516 C LYS A 32 -1.371 16.383 -2.254 1.00 4.35 C ATOM 517 O LYS A 32 -1.839 16.210 -1.128 1.00 2.32 O ATOM 518 CB LYS A 32 -2.816 15.805 -4.211 1.00 50.34 C ATOM 519 CG LYS A 32 -3.454 14.670 -4.994 1.00 1.23 C ATOM 520 CD LYS A 32 -2.432 13.937 -5.846 1.00 24.12 C ATOM 521 CE LYS A 32 -1.821 14.853 -6.895 1.00 64.11 C ATOM 522 NZ LYS A 32 -2.863 15.588 -7.664 1.00 4.31 N ATOM 0 H LYS A 32 -2.829 13.785 -2.717 1.00 5.34 H new ATOM 0 HA LYS A 32 -0.731 15.326 -3.998 1.00 24.14 H new ATOM 0 HB2 LYS A 32 -3.566 16.252 -3.559 1.00 50.34 H new ATOM 0 HB3 LYS A 32 -2.496 16.580 -4.907 1.00 50.34 H new ATOM 0 HG2 LYS A 32 -3.923 13.969 -4.304 1.00 1.23 H new ATOM 0 HG3 LYS A 32 -4.244 15.066 -5.632 1.00 1.23 H new ATOM 0 HD2 LYS A 32 -1.644 13.537 -5.208 1.00 24.12 H new ATOM 0 HD3 LYS A 32 -2.907 13.087 -6.336 1.00 24.12 H new ATOM 0 HE2 LYS A 32 -1.156 15.568 -6.410 1.00 64.11 H new ATOM 0 HE3 LYS A 32 -1.211 14.264 -7.580 1.00 64.11 H new ATOM 0 HZ1 LYS A 32 -2.431 16.026 -8.503 1.00 4.31 H new ATOM 0 HZ2 LYS A 32 -3.606 14.925 -7.964 1.00 4.31 H new ATOM 0 HZ3 LYS A 32 -3.281 16.327 -7.064 1.00 4.31 H new ATOM 536 N ILE A 33 -0.634 17.441 -2.577 1.00 14.23 N ATOM 537 CA ILE A 33 -0.328 18.484 -1.605 1.00 74.13 C ATOM 538 C ILE A 33 -1.077 19.773 -1.928 1.00 62.31 C ATOM 539 O ILE A 33 -1.069 20.237 -3.068 1.00 5.34 O ATOM 540 CB ILE A 33 1.182 18.780 -1.554 1.00 62.30 C ATOM 541 CG1 ILE A 33 1.979 17.559 -2.019 1.00 41.34 C ATOM 542 CG2 ILE A 33 1.595 19.184 -0.147 1.00 23.44 C ATOM 543 CD1 ILE A 33 3.477 17.736 -1.905 1.00 0.12 C ATOM 0 H ILE A 33 -0.238 17.598 -3.504 1.00 14.23 H new ATOM 0 HA ILE A 33 -0.650 18.113 -0.632 1.00 74.13 H new ATOM 0 HB ILE A 33 1.398 19.610 -2.227 1.00 62.30 H new ATOM 0 HG12 ILE A 33 1.678 16.693 -1.430 1.00 41.34 H new ATOM 0 HG13 ILE A 33 1.725 17.343 -3.057 1.00 41.34 H new ATOM 0 HG21 ILE A 33 2.665 19.390 -0.127 1.00 23.44 H new ATOM 0 HG22 ILE A 33 1.048 20.079 0.150 1.00 23.44 H new ATOM 0 HG23 ILE A 33 1.369 18.373 0.546 1.00 23.44 H new ATOM 0 HD11 ILE A 33 3.978 16.832 -2.252 1.00 0.12 H new ATOM 0 HD12 ILE A 33 3.791 18.582 -2.516 1.00 0.12 H new ATOM 0 HD13 ILE A 33 3.743 17.922 -0.864 1.00 0.12 H new ATOM 555 N GLN A 34 -1.721 20.346 -0.917 1.00 31.45 N ATOM 556 CA GLN A 34 -2.474 21.582 -1.093 1.00 5.00 C ATOM 557 C GLN A 34 -2.412 22.441 0.166 1.00 41.13 C ATOM 558 O GLN A 34 -2.498 21.931 1.283 1.00 53.02 O ATOM 559 CB GLN A 34 -3.930 21.272 -1.442 1.00 71.03 C ATOM 560 CG GLN A 34 -4.098 20.567 -2.779 1.00 15.33 C ATOM 561 CD GLN A 34 -4.190 19.061 -2.637 1.00 35.23 C ATOM 562 OE1 GLN A 34 -3.548 18.467 -1.770 1.00 41.03 O ATOM 563 NE2 GLN A 34 -4.993 18.433 -3.489 1.00 4.50 N ATOM 0 H GLN A 34 -1.737 19.974 0.033 1.00 31.45 H new ATOM 0 HA GLN A 34 -2.022 22.139 -1.914 1.00 5.00 H new ATOM 0 HB2 GLN A 34 -4.359 20.650 -0.656 1.00 71.03 H new ATOM 0 HB3 GLN A 34 -4.497 22.203 -1.457 1.00 71.03 H new ATOM 0 HG2 GLN A 34 -4.998 20.937 -3.270 1.00 15.33 H new ATOM 0 HG3 GLN A 34 -3.256 20.816 -3.425 1.00 15.33 H new ATOM 0 HE21 GLN A 34 -5.507 18.964 -4.192 1.00 4.50 H new ATOM 0 HE22 GLN A 34 -5.096 17.419 -3.440 1.00 4.50 H new ATOM 572 N VAL A 35 -2.262 23.748 -0.023 1.00 5.33 N ATOM 573 CA VAL A 35 -2.189 24.679 1.097 1.00 30.24 C ATOM 574 C VAL A 35 -2.640 26.075 0.682 1.00 21.23 C ATOM 575 O VAL A 35 -2.544 26.449 -0.487 1.00 64.00 O ATOM 576 CB VAL A 35 -0.760 24.761 1.667 1.00 34.02 C ATOM 577 CG1 VAL A 35 -0.427 23.505 2.457 1.00 34.44 C ATOM 578 CG2 VAL A 35 0.247 24.980 0.549 1.00 61.13 C ATOM 0 H VAL A 35 -2.189 24.186 -0.941 1.00 5.33 H new ATOM 0 HA VAL A 35 -2.858 24.299 1.869 1.00 30.24 H new ATOM 0 HB VAL A 35 -0.706 25.612 2.345 1.00 34.02 H new ATOM 0 HG11 VAL A 35 0.586 23.581 2.852 1.00 34.44 H new ATOM 0 HG12 VAL A 35 -1.131 23.397 3.282 1.00 34.44 H new ATOM 0 HG13 VAL A 35 -0.497 22.635 1.804 1.00 34.44 H new ATOM 0 HG21 VAL A 35 1.251 25.036 0.969 1.00 61.13 H new ATOM 0 HG22 VAL A 35 0.194 24.150 -0.156 1.00 61.13 H new ATOM 0 HG23 VAL A 35 0.019 25.911 0.031 1.00 61.13 H new ATOM 588 N THR A 36 -3.133 26.843 1.649 1.00 42.43 N ATOM 589 CA THR A 36 -3.600 28.198 1.384 1.00 4.53 C ATOM 590 C THR A 36 -2.456 29.202 1.480 1.00 14.31 C ATOM 591 O THR A 36 -1.458 28.959 2.159 1.00 74.11 O ATOM 592 CB THR A 36 -4.713 28.611 2.366 1.00 71.54 C ATOM 593 OG1 THR A 36 -4.368 28.208 3.696 1.00 44.13 O ATOM 594 CG2 THR A 36 -6.042 27.985 1.970 1.00 61.40 C ATOM 0 H THR A 36 -3.219 26.550 2.622 1.00 42.43 H new ATOM 0 HA THR A 36 -4.000 28.202 0.370 1.00 4.53 H new ATOM 0 HB THR A 36 -4.814 29.696 2.331 1.00 71.54 H new ATOM 0 HG1 THR A 36 -5.080 28.476 4.314 1.00 44.13 H new ATOM 0 HG21 THR A 36 -6.813 28.290 2.677 1.00 61.40 H new ATOM 0 HG22 THR A 36 -6.316 28.317 0.969 1.00 61.40 H new ATOM 0 HG23 THR A 36 -5.950 26.899 1.980 1.00 61.40 H new ATOM 602 N PHE A 37 -2.608 30.332 0.797 1.00 72.00 N ATOM 603 CA PHE A 37 -1.588 31.373 0.805 1.00 5.41 C ATOM 604 C PHE A 37 -1.196 31.740 2.234 1.00 53.33 C ATOM 605 O PHE A 37 -0.014 31.801 2.569 1.00 33.42 O ATOM 606 CB PHE A 37 -2.090 32.616 0.067 1.00 35.20 C ATOM 607 CG PHE A 37 -1.292 33.853 0.363 1.00 62.04 C ATOM 608 CD1 PHE A 37 0.093 33.822 0.338 1.00 63.24 C ATOM 609 CD2 PHE A 37 -1.926 35.047 0.665 1.00 41.21 C ATOM 610 CE1 PHE A 37 0.830 34.959 0.610 1.00 24.30 C ATOM 611 CE2 PHE A 37 -1.194 36.188 0.938 1.00 60.52 C ATOM 612 CZ PHE A 37 0.186 36.143 0.909 1.00 1.33 C ATOM 0 H PHE A 37 -3.428 30.550 0.231 1.00 72.00 H new ATOM 0 HA PHE A 37 -0.707 30.986 0.293 1.00 5.41 H new ATOM 0 HB2 PHE A 37 -2.066 32.426 -1.006 1.00 35.20 H new ATOM 0 HB3 PHE A 37 -3.131 32.792 0.336 1.00 35.20 H new ATOM 0 HD1 PHE A 37 0.602 32.899 0.103 1.00 63.24 H new ATOM 0 HD2 PHE A 37 -3.005 35.087 0.688 1.00 41.21 H new ATOM 0 HE1 PHE A 37 1.909 34.921 0.589 1.00 24.30 H new ATOM 0 HE2 PHE A 37 -1.700 37.112 1.173 1.00 60.52 H new ATOM 0 HZ PHE A 37 0.761 37.033 1.120 1.00 1.33 H new ATOM 622 N GLY A 38 -2.199 31.985 3.071 1.00 14.44 N ATOM 623 CA GLY A 38 -1.941 32.344 4.454 1.00 42.14 C ATOM 624 C GLY A 38 -1.008 31.367 5.141 1.00 11.04 C ATOM 625 O GLY A 38 -0.058 31.773 5.810 1.00 60.42 O ATOM 0 H GLY A 38 -3.186 31.941 2.817 1.00 14.44 H new ATOM 0 HA2 GLY A 38 -1.508 33.344 4.492 1.00 42.14 H new ATOM 0 HA3 GLY A 38 -2.885 32.384 4.998 1.00 42.14 H new ATOM 629 N GLU A 39 -1.281 30.076 4.979 1.00 50.24 N ATOM 630 CA GLU A 39 -0.460 29.039 5.592 1.00 44.21 C ATOM 631 C GLU A 39 0.944 29.031 4.992 1.00 34.20 C ATOM 632 O GLU A 39 1.940 29.058 5.715 1.00 45.50 O ATOM 633 CB GLU A 39 -1.112 27.667 5.411 1.00 62.04 C ATOM 634 CG GLU A 39 -1.881 27.193 6.632 1.00 75.32 C ATOM 635 CD GLU A 39 -2.448 25.797 6.458 1.00 13.04 C ATOM 636 OE1 GLU A 39 -2.753 25.420 5.307 1.00 14.15 O ATOM 637 OE2 GLU A 39 -2.587 25.082 7.473 1.00 50.13 O ATOM 0 H GLU A 39 -2.064 29.724 4.429 1.00 50.24 H new ATOM 0 HA GLU A 39 -0.380 29.257 6.657 1.00 44.21 H new ATOM 0 HB2 GLU A 39 -1.789 27.706 4.558 1.00 62.04 H new ATOM 0 HB3 GLU A 39 -0.340 26.936 5.172 1.00 62.04 H new ATOM 0 HG2 GLU A 39 -1.222 27.208 7.500 1.00 75.32 H new ATOM 0 HG3 GLU A 39 -2.695 27.889 6.837 1.00 75.32 H new ATOM 644 N LEU A 40 1.013 28.992 3.666 1.00 22.20 N ATOM 645 CA LEU A 40 2.294 28.979 2.967 1.00 13.22 C ATOM 646 C LEU A 40 3.167 30.149 3.410 1.00 62.32 C ATOM 647 O LEU A 40 4.337 29.970 3.750 1.00 32.31 O ATOM 648 CB LEU A 40 2.072 29.037 1.455 1.00 62.03 C ATOM 649 CG LEU A 40 2.592 27.843 0.654 1.00 25.41 C ATOM 650 CD1 LEU A 40 2.273 28.010 -0.823 1.00 51.43 C ATOM 651 CD2 LEU A 40 4.090 27.673 0.862 1.00 44.13 C ATOM 0 H LEU A 40 0.198 28.969 3.053 1.00 22.20 H new ATOM 0 HA LEU A 40 2.808 28.051 3.217 1.00 13.22 H new ATOM 0 HB2 LEU A 40 1.003 29.136 1.269 1.00 62.03 H new ATOM 0 HB3 LEU A 40 2.547 29.940 1.073 1.00 62.03 H new ATOM 0 HG LEU A 40 2.091 26.944 1.013 1.00 25.41 H new ATOM 0 HD11 LEU A 40 2.651 27.150 -1.376 1.00 51.43 H new ATOM 0 HD12 LEU A 40 1.194 28.081 -0.956 1.00 51.43 H new ATOM 0 HD13 LEU A 40 2.745 28.918 -1.197 1.00 51.43 H new ATOM 0 HD21 LEU A 40 4.443 26.819 0.284 1.00 44.13 H new ATOM 0 HD22 LEU A 40 4.608 28.573 0.531 1.00 44.13 H new ATOM 0 HD23 LEU A 40 4.294 27.505 1.920 1.00 44.13 H new ATOM 663 N PHE A 41 2.591 31.346 3.405 1.00 52.14 N ATOM 664 CA PHE A 41 3.316 32.545 3.807 1.00 42.52 C ATOM 665 C PHE A 41 3.800 32.431 5.249 1.00 31.54 C ATOM 666 O PHE A 41 4.980 32.629 5.537 1.00 23.24 O ATOM 667 CB PHE A 41 2.427 33.781 3.652 1.00 30.00 C ATOM 668 CG PHE A 41 3.183 35.077 3.725 1.00 62.34 C ATOM 669 CD1 PHE A 41 3.724 35.643 2.582 1.00 43.23 C ATOM 670 CD2 PHE A 41 3.352 35.729 4.935 1.00 24.54 C ATOM 671 CE1 PHE A 41 4.421 36.835 2.646 1.00 62.00 C ATOM 672 CE2 PHE A 41 4.048 36.921 5.006 1.00 60.12 C ATOM 673 CZ PHE A 41 4.582 37.475 3.859 1.00 2.22 C ATOM 0 H PHE A 41 1.624 31.512 3.127 1.00 52.14 H new ATOM 0 HA PHE A 41 4.185 32.647 3.158 1.00 42.52 H new ATOM 0 HB2 PHE A 41 1.907 33.727 2.696 1.00 30.00 H new ATOM 0 HB3 PHE A 41 1.665 33.770 4.431 1.00 30.00 H new ATOM 0 HD1 PHE A 41 3.600 35.147 1.630 1.00 43.23 H new ATOM 0 HD2 PHE A 41 2.935 35.301 5.834 1.00 24.54 H new ATOM 0 HE1 PHE A 41 4.839 37.265 1.748 1.00 62.00 H new ATOM 0 HE2 PHE A 41 4.174 37.418 5.956 1.00 60.12 H new ATOM 0 HZ PHE A 41 5.125 38.407 3.911 1.00 2.22 H new ATOM 683 N ASP A 42 2.879 32.110 6.152 1.00 62.33 N ATOM 684 CA ASP A 42 3.210 31.968 7.565 1.00 64.52 C ATOM 685 C ASP A 42 4.295 30.913 7.765 1.00 12.44 C ATOM 686 O ASP A 42 4.959 30.881 8.802 1.00 51.45 O ATOM 687 CB ASP A 42 1.964 31.594 8.368 1.00 75.43 C ATOM 688 CG ASP A 42 1.388 32.773 9.127 1.00 43.35 C ATOM 689 OD1 ASP A 42 0.712 33.611 8.495 1.00 14.41 O ATOM 690 OD2 ASP A 42 1.616 32.859 10.352 1.00 75.02 O ATOM 0 H ASP A 42 1.897 31.943 5.930 1.00 62.33 H new ATOM 0 HA ASP A 42 3.588 32.926 7.922 1.00 64.52 H new ATOM 0 HB2 ASP A 42 1.207 31.195 7.693 1.00 75.43 H new ATOM 0 HB3 ASP A 42 2.214 30.800 9.072 1.00 75.43 H new ATOM 695 N ARG A 43 4.467 30.052 6.768 1.00 5.30 N ATOM 696 CA ARG A 43 5.469 28.995 6.836 1.00 4.41 C ATOM 697 C ARG A 43 6.781 29.448 6.200 1.00 33.41 C ATOM 698 O ARG A 43 7.863 29.066 6.646 1.00 31.04 O ATOM 699 CB ARG A 43 4.959 27.734 6.137 1.00 44.04 C ATOM 700 CG ARG A 43 6.035 26.683 5.917 1.00 74.44 C ATOM 701 CD ARG A 43 6.706 26.291 7.223 1.00 23.35 C ATOM 702 NE ARG A 43 5.773 25.655 8.149 1.00 32.04 N ATOM 703 CZ ARG A 43 6.153 24.881 9.160 1.00 74.32 C ATOM 704 NH1 ARG A 43 7.440 24.648 9.373 1.00 23.04 N ATOM 705 NH2 ARG A 43 5.243 24.338 9.959 1.00 24.24 N ATOM 0 H ARG A 43 3.926 30.065 5.904 1.00 5.30 H new ATOM 0 HA ARG A 43 5.653 28.770 7.886 1.00 4.41 H new ATOM 0 HB2 ARG A 43 4.155 27.300 6.731 1.00 44.04 H new ATOM 0 HB3 ARG A 43 4.531 28.011 5.174 1.00 44.04 H new ATOM 0 HG2 ARG A 43 5.594 25.800 5.454 1.00 74.44 H new ATOM 0 HG3 ARG A 43 6.783 27.066 5.223 1.00 74.44 H new ATOM 0 HD2 ARG A 43 7.532 25.610 7.016 1.00 23.35 H new ATOM 0 HD3 ARG A 43 7.133 27.178 7.691 1.00 23.35 H new ATOM 0 HE ARG A 43 4.775 25.814 8.012 1.00 32.04 H new ATOM 0 HH11 ARG A 43 8.142 25.063 8.760 1.00 23.04 H new ATOM 0 HH12 ARG A 43 7.729 24.053 10.150 1.00 23.04 H new ATOM 0 HH21 ARG A 43 4.252 24.515 9.797 1.00 24.24 H new ATOM 0 HH22 ARG A 43 5.535 23.744 10.735 1.00 24.24 H new ATOM 719 N TYR A 44 6.676 30.262 5.156 1.00 73.21 N ATOM 720 CA TYR A 44 7.853 30.764 4.457 1.00 73.43 C ATOM 721 C TYR A 44 8.497 31.911 5.229 1.00 51.25 C ATOM 722 O TYR A 44 9.702 32.144 5.127 1.00 15.04 O ATOM 723 CB TYR A 44 7.476 31.229 3.049 1.00 13.22 C ATOM 724 CG TYR A 44 8.028 30.348 1.952 1.00 60.03 C ATOM 725 CD1 TYR A 44 7.383 29.172 1.588 1.00 43.14 C ATOM 726 CD2 TYR A 44 9.195 30.690 1.280 1.00 52.33 C ATOM 727 CE1 TYR A 44 7.885 28.363 0.586 1.00 55.40 C ATOM 728 CE2 TYR A 44 9.702 29.889 0.276 1.00 64.52 C ATOM 729 CZ TYR A 44 9.044 28.726 -0.067 1.00 51.12 C ATOM 730 OH TYR A 44 9.547 27.924 -1.066 1.00 22.13 O ATOM 0 H TYR A 44 5.788 30.588 4.775 1.00 73.21 H new ATOM 0 HA TYR A 44 8.575 29.951 4.382 1.00 73.43 H new ATOM 0 HB2 TYR A 44 6.390 31.262 2.965 1.00 13.22 H new ATOM 0 HB3 TYR A 44 7.838 32.247 2.903 1.00 13.22 H new ATOM 0 HD1 TYR A 44 6.474 28.885 2.097 1.00 43.14 H new ATOM 0 HD2 TYR A 44 9.715 31.598 1.548 1.00 52.33 H new ATOM 0 HE1 TYR A 44 7.372 27.452 0.316 1.00 55.40 H new ATOM 0 HE2 TYR A 44 10.609 30.171 -0.238 1.00 64.52 H new ATOM 0 HH TYR A 44 8.810 27.455 -1.511 1.00 22.13 H new ATOM 740 N VAL A 45 7.685 32.626 6.001 1.00 33.41 N ATOM 741 CA VAL A 45 8.174 33.748 6.793 1.00 52.24 C ATOM 742 C VAL A 45 9.305 33.316 7.719 1.00 33.01 C ATOM 743 O VAL A 45 10.170 34.116 8.074 1.00 43.21 O ATOM 744 CB VAL A 45 7.046 34.375 7.634 1.00 23.23 C ATOM 745 CG1 VAL A 45 5.988 34.994 6.734 1.00 62.43 C ATOM 746 CG2 VAL A 45 6.430 33.335 8.558 1.00 64.32 C ATOM 0 H VAL A 45 6.685 32.448 6.095 1.00 33.41 H new ATOM 0 HA VAL A 45 8.549 34.492 6.090 1.00 52.24 H new ATOM 0 HB VAL A 45 7.473 35.167 8.249 1.00 23.23 H new ATOM 0 HG11 VAL A 45 5.200 35.432 7.347 1.00 62.43 H new ATOM 0 HG12 VAL A 45 6.443 35.770 6.119 1.00 62.43 H new ATOM 0 HG13 VAL A 45 5.562 34.224 6.090 1.00 62.43 H new ATOM 0 HG21 VAL A 45 5.635 33.795 9.145 1.00 64.32 H new ATOM 0 HG22 VAL A 45 6.017 32.519 7.964 1.00 64.32 H new ATOM 0 HG23 VAL A 45 7.196 32.944 9.228 1.00 64.32 H new ATOM 756 N ARG A 46 9.291 32.045 8.107 1.00 1.04 N ATOM 757 CA ARG A 46 10.316 31.506 8.994 1.00 75.03 C ATOM 758 C ARG A 46 11.483 30.938 8.193 1.00 64.13 C ATOM 759 O ARG A 46 12.353 30.260 8.741 1.00 45.52 O ATOM 760 CB ARG A 46 9.722 30.419 9.892 1.00 65.33 C ATOM 761 CG ARG A 46 9.264 30.931 11.247 1.00 11.51 C ATOM 762 CD ARG A 46 8.786 29.797 12.139 1.00 33.33 C ATOM 763 NE ARG A 46 9.785 29.427 13.138 1.00 1.31 N ATOM 764 CZ ARG A 46 9.700 28.339 13.895 1.00 4.00 C ATOM 765 NH1 ARG A 46 8.668 27.517 13.767 1.00 12.21 N ATOM 766 NH2 ARG A 46 10.650 28.071 14.782 1.00 62.41 N ATOM 0 H ARG A 46 8.582 31.369 7.822 1.00 1.04 H new ATOM 0 HA ARG A 46 10.687 32.320 9.617 1.00 75.03 H new ATOM 0 HB2 ARG A 46 8.875 29.960 9.381 1.00 65.33 H new ATOM 0 HB3 ARG A 46 10.466 29.636 10.041 1.00 65.33 H new ATOM 0 HG2 ARG A 46 10.085 31.457 11.734 1.00 11.51 H new ATOM 0 HG3 ARG A 46 8.458 31.653 11.111 1.00 11.51 H new ATOM 0 HD2 ARG A 46 7.865 30.094 12.640 1.00 33.33 H new ATOM 0 HD3 ARG A 46 8.549 28.928 11.525 1.00 33.33 H new ATOM 0 HE ARG A 46 10.593 30.038 13.261 1.00 1.31 H new ATOM 0 HH11 ARG A 46 7.936 27.719 13.086 1.00 12.21 H new ATOM 0 HH12 ARG A 46 8.606 26.682 14.350 1.00 12.21 H new ATOM 0 HH21 ARG A 46 11.446 28.701 14.883 1.00 62.41 H new ATOM 0 HH22 ARG A 46 10.584 27.235 15.363 1.00 62.41 H new ATOM 780 N ILE A 47 11.495 31.218 6.894 1.00 42.21 N ATOM 781 CA ILE A 47 12.556 30.736 6.018 1.00 31.34 C ATOM 782 C ILE A 47 13.098 31.859 5.141 1.00 2.02 C ATOM 783 O ILE A 47 14.219 32.327 5.337 1.00 5.43 O ATOM 784 CB ILE A 47 12.064 29.588 5.117 1.00 34.12 C ATOM 785 CG1 ILE A 47 11.554 28.424 5.969 1.00 30.14 C ATOM 786 CG2 ILE A 47 13.179 29.125 4.192 1.00 41.42 C ATOM 787 CD1 ILE A 47 10.901 27.324 5.162 1.00 64.03 C ATOM 0 H ILE A 47 10.782 31.776 6.425 1.00 42.21 H new ATOM 0 HA ILE A 47 13.353 30.365 6.663 1.00 31.34 H new ATOM 0 HB ILE A 47 11.240 29.955 4.505 1.00 34.12 H new ATOM 0 HG12 ILE A 47 12.388 28.004 6.532 1.00 30.14 H new ATOM 0 HG13 ILE A 47 10.837 28.804 6.697 1.00 30.14 H new ATOM 0 HG21 ILE A 47 12.815 28.313 3.562 1.00 41.42 H new ATOM 0 HG22 ILE A 47 13.500 29.956 3.564 1.00 41.42 H new ATOM 0 HG23 ILE A 47 14.022 28.773 4.786 1.00 41.42 H new ATOM 0 HD11 ILE A 47 10.564 26.533 5.832 1.00 64.03 H new ATOM 0 HD12 ILE A 47 10.047 27.729 4.620 1.00 64.03 H new ATOM 0 HD13 ILE A 47 11.621 26.917 4.453 1.00 64.03 H new ATOM 799 N SER A 48 12.294 32.288 4.174 1.00 53.00 N ATOM 800 CA SER A 48 12.693 33.356 3.265 1.00 62.33 C ATOM 801 C SER A 48 11.656 34.474 3.251 1.00 12.31 C ATOM 802 O SER A 48 11.995 35.649 3.106 1.00 21.12 O ATOM 803 CB SER A 48 12.884 32.805 1.850 1.00 25.13 C ATOM 804 OG SER A 48 13.997 33.410 1.214 1.00 73.45 O ATOM 0 H SER A 48 11.362 31.912 4.000 1.00 53.00 H new ATOM 0 HA SER A 48 13.639 33.766 3.619 1.00 62.33 H new ATOM 0 HB2 SER A 48 13.028 31.725 1.893 1.00 25.13 H new ATOM 0 HB3 SER A 48 11.984 32.983 1.262 1.00 25.13 H new ATOM 0 HG SER A 48 14.297 32.845 0.472 1.00 73.45 H new ATOM 810 N ASP A 49 10.390 34.100 3.403 1.00 2.50 N ATOM 811 CA ASP A 49 9.302 35.071 3.410 1.00 52.05 C ATOM 812 C ASP A 49 9.110 35.682 2.025 1.00 71.32 C ATOM 813 O ASP A 49 9.307 36.881 1.830 1.00 12.45 O ATOM 814 CB ASP A 49 9.579 36.173 4.433 1.00 41.53 C ATOM 815 CG ASP A 49 8.311 36.852 4.911 1.00 55.01 C ATOM 816 OD1 ASP A 49 7.213 36.412 4.507 1.00 45.10 O ATOM 817 OD2 ASP A 49 8.415 37.822 5.690 1.00 54.32 O ATOM 0 H ASP A 49 10.092 33.132 3.523 1.00 2.50 H new ATOM 0 HA ASP A 49 8.386 34.550 3.688 1.00 52.05 H new ATOM 0 HB2 ASP A 49 10.104 35.747 5.288 1.00 41.53 H new ATOM 0 HB3 ASP A 49 10.241 36.917 3.991 1.00 41.53 H new ATOM 822 N LYS A 50 8.726 34.848 1.064 1.00 35.12 N ATOM 823 CA LYS A 50 8.507 35.304 -0.303 1.00 54.22 C ATOM 824 C LYS A 50 7.939 34.182 -1.167 1.00 10.22 C ATOM 825 O LYS A 50 8.249 34.082 -2.354 1.00 20.41 O ATOM 826 CB LYS A 50 9.816 35.815 -0.908 1.00 42.11 C ATOM 827 CG LYS A 50 10.833 34.718 -1.171 1.00 4.22 C ATOM 828 CD LYS A 50 12.130 34.968 -0.419 1.00 11.23 C ATOM 829 CE LYS A 50 12.783 36.272 -0.852 1.00 62.41 C ATOM 830 NZ LYS A 50 14.269 36.199 -0.778 1.00 72.34 N ATOM 0 H LYS A 50 8.560 33.852 1.207 1.00 35.12 H new ATOM 0 HA LYS A 50 7.784 36.119 -0.276 1.00 54.22 H new ATOM 0 HB2 LYS A 50 9.598 36.329 -1.844 1.00 42.11 H new ATOM 0 HB3 LYS A 50 10.254 36.552 -0.235 1.00 42.11 H new ATOM 0 HG2 LYS A 50 10.417 33.756 -0.872 1.00 4.22 H new ATOM 0 HG3 LYS A 50 11.037 34.658 -2.240 1.00 4.22 H new ATOM 0 HD2 LYS A 50 11.931 34.998 0.652 1.00 11.23 H new ATOM 0 HD3 LYS A 50 12.818 34.140 -0.592 1.00 11.23 H new ATOM 0 HE2 LYS A 50 12.481 36.508 -1.872 1.00 62.41 H new ATOM 0 HE3 LYS A 50 12.427 37.084 -0.218 1.00 62.41 H new ATOM 0 HZ1 LYS A 50 14.677 37.107 -1.081 1.00 72.34 H new ATOM 0 HZ2 LYS A 50 14.558 35.999 0.201 1.00 72.34 H new ATOM 0 HZ3 LYS A 50 14.611 35.441 -1.402 1.00 72.34 H new ATOM 844 N VAL A 51 7.105 33.341 -0.563 1.00 51.34 N ATOM 845 CA VAL A 51 6.492 32.228 -1.278 1.00 52.12 C ATOM 846 C VAL A 51 5.777 32.710 -2.536 1.00 34.55 C ATOM 847 O VAL A 51 5.920 32.122 -3.608 1.00 3.30 O ATOM 848 CB VAL A 51 5.488 31.474 -0.387 1.00 33.43 C ATOM 849 CG1 VAL A 51 4.473 32.437 0.209 1.00 51.41 C ATOM 850 CG2 VAL A 51 4.792 30.377 -1.179 1.00 24.43 C ATOM 0 H VAL A 51 6.839 33.409 0.419 1.00 51.34 H new ATOM 0 HA VAL A 51 7.298 31.550 -1.559 1.00 52.12 H new ATOM 0 HB VAL A 51 6.036 31.008 0.432 1.00 33.43 H new ATOM 0 HG11 VAL A 51 3.772 31.885 0.835 1.00 51.41 H new ATOM 0 HG12 VAL A 51 4.990 33.183 0.813 1.00 51.41 H new ATOM 0 HG13 VAL A 51 3.928 32.934 -0.594 1.00 51.41 H new ATOM 0 HG21 VAL A 51 4.086 29.854 -0.534 1.00 24.43 H new ATOM 0 HG22 VAL A 51 4.257 30.819 -2.020 1.00 24.43 H new ATOM 0 HG23 VAL A 51 5.534 29.671 -1.552 1.00 24.43 H new ATOM 860 N VAL A 52 5.005 33.783 -2.397 1.00 2.14 N ATOM 861 CA VAL A 52 4.268 34.346 -3.522 1.00 30.52 C ATOM 862 C VAL A 52 5.199 34.658 -4.688 1.00 21.31 C ATOM 863 O VAL A 52 4.818 34.533 -5.851 1.00 11.01 O ATOM 864 CB VAL A 52 3.521 35.630 -3.117 1.00 50.44 C ATOM 865 CG1 VAL A 52 2.944 36.321 -4.344 1.00 0.24 C ATOM 866 CG2 VAL A 52 2.427 35.315 -2.109 1.00 32.03 C ATOM 0 H VAL A 52 4.874 34.280 -1.516 1.00 2.14 H new ATOM 0 HA VAL A 52 3.542 33.595 -3.832 1.00 30.52 H new ATOM 0 HB VAL A 52 4.231 36.310 -2.646 1.00 50.44 H new ATOM 0 HG11 VAL A 52 2.420 37.226 -4.039 1.00 0.24 H new ATOM 0 HG12 VAL A 52 3.752 36.582 -5.028 1.00 0.24 H new ATOM 0 HG13 VAL A 52 2.247 35.650 -4.846 1.00 0.24 H new ATOM 0 HG21 VAL A 52 1.910 36.234 -1.834 1.00 32.03 H new ATOM 0 HG22 VAL A 52 1.716 34.616 -2.550 1.00 32.03 H new ATOM 0 HG23 VAL A 52 2.870 34.868 -1.219 1.00 32.03 H new ATOM 876 N GLY A 53 6.424 35.064 -4.368 1.00 11.42 N ATOM 877 CA GLY A 53 7.391 35.388 -5.400 1.00 25.01 C ATOM 878 C GLY A 53 7.883 34.160 -6.140 1.00 32.43 C ATOM 879 O GLY A 53 8.170 34.221 -7.335 1.00 65.14 O ATOM 0 H GLY A 53 6.764 35.174 -3.413 1.00 11.42 H new ATOM 0 HA2 GLY A 53 6.941 36.081 -6.111 1.00 25.01 H new ATOM 0 HA3 GLY A 53 8.240 35.901 -4.949 1.00 25.01 H new ATOM 883 N ILE A 54 7.981 33.042 -5.428 1.00 33.12 N ATOM 884 CA ILE A 54 8.441 31.795 -6.025 1.00 24.52 C ATOM 885 C ILE A 54 7.343 31.147 -6.862 1.00 44.41 C ATOM 886 O ILE A 54 7.617 30.517 -7.884 1.00 70.32 O ATOM 887 CB ILE A 54 8.909 30.795 -4.950 1.00 75.02 C ATOM 888 CG1 ILE A 54 10.066 31.385 -4.142 1.00 41.24 C ATOM 889 CG2 ILE A 54 9.321 29.480 -5.594 1.00 21.30 C ATOM 890 CD1 ILE A 54 10.064 30.967 -2.689 1.00 15.03 C ATOM 0 H ILE A 54 7.748 32.975 -4.437 1.00 33.12 H new ATOM 0 HA ILE A 54 9.284 32.046 -6.668 1.00 24.52 H new ATOM 0 HB ILE A 54 8.079 30.600 -4.270 1.00 75.02 H new ATOM 0 HG12 ILE A 54 11.008 31.081 -4.598 1.00 41.24 H new ATOM 0 HG13 ILE A 54 10.020 32.473 -4.199 1.00 41.24 H new ATOM 0 HG21 ILE A 54 9.649 28.784 -4.822 1.00 21.30 H new ATOM 0 HG22 ILE A 54 8.472 29.055 -6.129 1.00 21.30 H new ATOM 0 HG23 ILE A 54 10.138 29.658 -6.293 1.00 21.30 H new ATOM 0 HD11 ILE A 54 10.912 31.423 -2.178 1.00 15.03 H new ATOM 0 HD12 ILE A 54 9.138 31.295 -2.217 1.00 15.03 H new ATOM 0 HD13 ILE A 54 10.141 29.882 -2.622 1.00 15.03 H new ATOM 902 N LEU A 55 6.100 31.309 -6.423 1.00 70.25 N ATOM 903 CA LEU A 55 4.959 30.742 -7.133 1.00 74.04 C ATOM 904 C LEU A 55 4.987 31.131 -8.608 1.00 73.21 C ATOM 905 O LEU A 55 4.525 30.380 -9.467 1.00 15.32 O ATOM 906 CB LEU A 55 3.651 31.213 -6.495 1.00 33.20 C ATOM 907 CG LEU A 55 3.362 30.686 -5.089 1.00 24.13 C ATOM 908 CD1 LEU A 55 1.975 31.111 -4.634 1.00 31.34 C ATOM 909 CD2 LEU A 55 3.498 29.171 -5.049 1.00 24.24 C ATOM 0 H LEU A 55 5.857 31.828 -5.579 1.00 70.25 H new ATOM 0 HA LEU A 55 5.021 29.656 -7.061 1.00 74.04 H new ATOM 0 HB2 LEU A 55 3.660 32.302 -6.458 1.00 33.20 H new ATOM 0 HB3 LEU A 55 2.827 30.923 -7.147 1.00 33.20 H new ATOM 0 HG LEU A 55 4.093 31.115 -4.404 1.00 24.13 H new ATOM 0 HD11 LEU A 55 1.787 30.727 -3.631 1.00 31.34 H new ATOM 0 HD12 LEU A 55 1.913 32.199 -4.623 1.00 31.34 H new ATOM 0 HD13 LEU A 55 1.229 30.712 -5.321 1.00 31.34 H new ATOM 0 HD21 LEU A 55 3.289 28.813 -4.041 1.00 24.24 H new ATOM 0 HD22 LEU A 55 2.790 28.724 -5.747 1.00 24.24 H new ATOM 0 HD23 LEU A 55 4.513 28.889 -5.331 1.00 24.24 H new ATOM 921 N MET A 56 5.534 32.308 -8.894 1.00 60.40 N ATOM 922 CA MET A 56 5.626 32.794 -10.266 1.00 13.33 C ATOM 923 C MET A 56 6.420 31.825 -11.135 1.00 23.34 C ATOM 924 O MET A 56 6.129 31.656 -12.319 1.00 35.33 O ATOM 925 CB MET A 56 6.279 34.177 -10.296 1.00 53.52 C ATOM 926 CG MET A 56 5.492 35.238 -9.543 1.00 20.31 C ATOM 927 SD MET A 56 5.778 36.899 -10.182 1.00 13.43 S ATOM 928 CE MET A 56 6.485 37.698 -8.743 1.00 41.31 C ATOM 0 H MET A 56 5.920 32.942 -8.195 1.00 60.40 H new ATOM 0 HA MET A 56 4.615 32.868 -10.667 1.00 13.33 H new ATOM 0 HB2 MET A 56 7.279 34.107 -9.869 1.00 53.52 H new ATOM 0 HB3 MET A 56 6.397 34.492 -11.333 1.00 53.52 H new ATOM 0 HG2 MET A 56 4.428 35.008 -9.604 1.00 20.31 H new ATOM 0 HG3 MET A 56 5.765 35.207 -8.488 1.00 20.31 H new ATOM 0 HE1 MET A 56 6.717 38.736 -8.980 1.00 41.31 H new ATOM 0 HE2 MET A 56 5.771 37.664 -7.920 1.00 41.31 H new ATOM 0 HE3 MET A 56 7.399 37.180 -8.451 1.00 41.31 H new ATOM 938 N ARG A 57 7.425 31.191 -10.539 1.00 62.32 N ATOM 939 CA ARG A 57 8.262 30.239 -11.260 1.00 4.31 C ATOM 940 C ARG A 57 7.510 28.936 -11.513 1.00 23.00 C ATOM 941 O ARG A 57 7.395 28.486 -12.652 1.00 73.34 O ATOM 942 CB ARG A 57 9.544 29.957 -10.473 1.00 74.32 C ATOM 943 CG ARG A 57 10.367 28.813 -11.041 1.00 64.24 C ATOM 944 CD ARG A 57 11.586 28.522 -10.180 1.00 3.34 C ATOM 945 NE ARG A 57 12.705 28.012 -10.968 1.00 10.41 N ATOM 946 CZ ARG A 57 13.815 27.516 -10.433 1.00 40.10 C ATOM 947 NH1 ARG A 57 13.954 27.463 -9.115 1.00 74.25 N ATOM 948 NH2 ARG A 57 14.789 27.071 -11.217 1.00 1.44 N ATOM 0 H ARG A 57 7.679 31.319 -9.560 1.00 62.32 H new ATOM 0 HA ARG A 57 8.524 30.679 -12.222 1.00 4.31 H new ATOM 0 HB2 ARG A 57 10.155 30.859 -10.455 1.00 74.32 H new ATOM 0 HB3 ARG A 57 9.283 29.728 -9.440 1.00 74.32 H new ATOM 0 HG2 ARG A 57 9.748 27.918 -11.112 1.00 64.24 H new ATOM 0 HG3 ARG A 57 10.686 29.061 -12.053 1.00 64.24 H new ATOM 0 HD2 ARG A 57 11.891 29.433 -9.665 1.00 3.34 H new ATOM 0 HD3 ARG A 57 11.322 27.794 -9.412 1.00 3.34 H new ATOM 0 HE ARG A 57 12.630 28.038 -11.985 1.00 10.41 H new ATOM 0 HH11 ARG A 57 13.207 27.804 -8.509 1.00 74.25 H new ATOM 0 HH12 ARG A 57 14.808 27.082 -8.707 1.00 74.25 H new ATOM 0 HH21 ARG A 57 14.685 27.110 -12.231 1.00 1.44 H new ATOM 0 HH22 ARG A 57 15.641 26.690 -10.806 1.00 1.44 H new ATOM 962 N ALA A 58 7.001 28.335 -10.442 1.00 44.14 N ATOM 963 CA ALA A 58 6.260 27.085 -10.548 1.00 75.14 C ATOM 964 C ALA A 58 5.081 27.225 -11.506 1.00 11.42 C ATOM 965 O ALA A 58 4.718 26.277 -12.202 1.00 32.04 O ATOM 966 CB ALA A 58 5.777 26.639 -9.176 1.00 11.50 C ATOM 0 H ALA A 58 7.089 28.694 -9.491 1.00 44.14 H new ATOM 0 HA ALA A 58 6.932 26.326 -10.949 1.00 75.14 H new ATOM 0 HB1 ALA A 58 5.225 25.704 -9.271 1.00 11.50 H new ATOM 0 HB2 ALA A 58 6.634 26.489 -8.519 1.00 11.50 H new ATOM 0 HB3 ALA A 58 5.125 27.404 -8.753 1.00 11.50 H new ATOM 972 N ARG A 59 4.487 28.414 -11.535 1.00 41.04 N ATOM 973 CA ARG A 59 3.348 28.677 -12.406 1.00 50.53 C ATOM 974 C ARG A 59 3.749 28.569 -13.874 1.00 65.14 C ATOM 975 O ARG A 59 2.926 28.250 -14.733 1.00 3.23 O ATOM 976 CB ARG A 59 2.774 30.067 -12.125 1.00 4.51 C ATOM 977 CG ARG A 59 1.363 30.263 -12.655 1.00 22.34 C ATOM 978 CD ARG A 59 1.120 31.704 -13.074 1.00 61.13 C ATOM 979 NE ARG A 59 0.703 31.805 -14.470 1.00 71.42 N ATOM 980 CZ ARG A 59 -0.535 31.561 -14.887 1.00 23.42 C ATOM 981 NH1 ARG A 59 -1.472 31.204 -14.019 1.00 44.10 N ATOM 982 NH2 ARG A 59 -0.837 31.674 -16.174 1.00 32.32 N ATOM 0 H ARG A 59 4.776 29.210 -10.966 1.00 41.04 H new ATOM 0 HA ARG A 59 2.585 27.927 -12.199 1.00 50.53 H new ATOM 0 HB2 ARG A 59 2.776 30.241 -11.049 1.00 4.51 H new ATOM 0 HB3 ARG A 59 3.428 30.817 -12.570 1.00 4.51 H new ATOM 0 HG2 ARG A 59 1.198 29.603 -13.506 1.00 22.34 H new ATOM 0 HG3 ARG A 59 0.642 29.980 -11.888 1.00 22.34 H new ATOM 0 HD2 ARG A 59 0.355 32.143 -12.434 1.00 61.13 H new ATOM 0 HD3 ARG A 59 2.031 32.283 -12.925 1.00 61.13 H new ATOM 0 HE ARG A 59 1.400 32.078 -15.163 1.00 71.42 H new ATOM 0 HH11 ARG A 59 -1.243 31.116 -13.029 1.00 44.10 H new ATOM 0 HH12 ARG A 59 -2.421 31.017 -14.342 1.00 44.10 H new ATOM 0 HH21 ARG A 59 -0.119 31.948 -16.844 1.00 32.32 H new ATOM 0 HH22 ARG A 59 -1.787 31.487 -16.493 1.00 32.32 H new ATOM 996 N LYS A 60 5.020 28.836 -14.156 1.00 40.53 N ATOM 997 CA LYS A 60 5.533 28.769 -15.520 1.00 35.54 C ATOM 998 C LYS A 60 5.186 27.431 -16.165 1.00 61.41 C ATOM 999 O LYS A 60 4.952 27.354 -17.372 1.00 15.34 O ATOM 1000 CB LYS A 60 7.049 28.973 -15.527 1.00 62.01 C ATOM 1001 CG LYS A 60 7.484 30.319 -14.974 1.00 42.00 C ATOM 1002 CD LYS A 60 7.738 31.323 -16.086 1.00 13.21 C ATOM 1003 CE LYS A 60 6.798 32.515 -15.986 1.00 30.15 C ATOM 1004 NZ LYS A 60 7.472 33.787 -16.367 1.00 62.44 N ATOM 0 H LYS A 60 5.714 29.101 -13.457 1.00 40.53 H new ATOM 0 HA LYS A 60 5.063 29.565 -16.099 1.00 35.54 H new ATOM 0 HB2 LYS A 60 7.516 28.181 -14.942 1.00 62.01 H new ATOM 0 HB3 LYS A 60 7.416 28.874 -16.549 1.00 62.01 H new ATOM 0 HG2 LYS A 60 6.715 30.704 -14.304 1.00 42.00 H new ATOM 0 HG3 LYS A 60 8.390 30.194 -14.381 1.00 42.00 H new ATOM 0 HD2 LYS A 60 8.771 31.668 -16.037 1.00 13.21 H new ATOM 0 HD3 LYS A 60 7.609 30.837 -17.053 1.00 13.21 H new ATOM 0 HE2 LYS A 60 5.936 32.353 -16.633 1.00 30.15 H new ATOM 0 HE3 LYS A 60 6.421 32.595 -14.967 1.00 30.15 H new ATOM 0 HZ1 LYS A 60 6.798 34.575 -16.286 1.00 62.44 H new ATOM 0 HZ2 LYS A 60 8.280 33.955 -15.734 1.00 62.44 H new ATOM 0 HZ3 LYS A 60 7.810 33.720 -17.348 1.00 62.44 H new ATOM 1018 N HIS A 61 5.154 26.378 -15.354 1.00 64.10 N ATOM 1019 CA HIS A 61 4.834 25.043 -15.846 1.00 62.24 C ATOM 1020 C HIS A 61 3.514 24.550 -15.261 1.00 23.10 C ATOM 1021 O HIS A 61 3.336 23.356 -15.026 1.00 34.31 O ATOM 1022 CB HIS A 61 5.957 24.065 -15.498 1.00 72.01 C ATOM 1023 CG HIS A 61 7.307 24.511 -15.968 1.00 40.12 C ATOM 1024 ND1 HIS A 61 8.333 24.840 -15.107 1.00 54.53 N ATOM 1025 CD2 HIS A 61 7.798 24.680 -17.218 1.00 41.01 C ATOM 1026 CE1 HIS A 61 9.396 25.194 -15.807 1.00 54.34 C ATOM 1027 NE2 HIS A 61 9.098 25.105 -17.091 1.00 54.11 N ATOM 0 H HIS A 61 5.346 26.424 -14.353 1.00 64.10 H new ATOM 0 HA HIS A 61 4.733 25.097 -16.930 1.00 62.24 H new ATOM 0 HB2 HIS A 61 5.985 23.927 -14.417 1.00 72.01 H new ATOM 0 HB3 HIS A 61 5.731 23.094 -15.938 1.00 72.01 H new ATOM 0 HD2 HIS A 61 7.267 24.512 -18.143 1.00 41.01 H new ATOM 0 HE1 HIS A 61 10.347 25.504 -15.399 1.00 54.34 H new ATOM 0 HE2 HIS A 61 9.730 25.317 -17.863 1.00 54.11 H new ATOM 1035 N GLY A 62 2.592 25.479 -15.027 1.00 42.01 N ATOM 1036 CA GLY A 62 1.301 25.119 -14.470 1.00 43.43 C ATOM 1037 C GLY A 62 1.425 24.293 -13.206 1.00 23.32 C ATOM 1038 O GLY A 62 1.069 23.114 -13.188 1.00 72.33 O ATOM 0 H GLY A 62 2.716 26.474 -15.213 1.00 42.01 H new ATOM 0 HA2 GLY A 62 0.736 26.026 -14.254 1.00 43.43 H new ATOM 0 HA3 GLY A 62 0.732 24.559 -15.212 1.00 43.43 H new ATOM 1042 N LEU A 63 1.933 24.910 -12.145 1.00 22.01 N ATOM 1043 CA LEU A 63 2.105 24.223 -10.870 1.00 23.05 C ATOM 1044 C LEU A 63 1.182 24.809 -9.806 1.00 73.14 C ATOM 1045 O LEU A 63 0.801 24.126 -8.855 1.00 50.41 O ATOM 1046 CB LEU A 63 3.560 24.321 -10.407 1.00 62.33 C ATOM 1047 CG LEU A 63 3.910 23.561 -9.127 1.00 64.14 C ATOM 1048 CD1 LEU A 63 3.502 24.363 -7.902 1.00 3.43 C ATOM 1049 CD2 LEU A 63 3.242 22.194 -9.119 1.00 30.21 C ATOM 0 H LEU A 63 2.233 25.885 -12.142 1.00 22.01 H new ATOM 0 HA LEU A 63 1.845 23.174 -11.014 1.00 23.05 H new ATOM 0 HB2 LEU A 63 4.201 23.956 -11.209 1.00 62.33 H new ATOM 0 HB3 LEU A 63 3.803 25.373 -10.259 1.00 62.33 H new ATOM 0 HG LEU A 63 4.990 23.415 -9.097 1.00 64.14 H new ATOM 0 HD11 LEU A 63 3.759 23.806 -7.001 1.00 3.43 H new ATOM 0 HD12 LEU A 63 4.027 25.318 -7.901 1.00 3.43 H new ATOM 0 HD13 LEU A 63 2.427 24.540 -7.925 1.00 3.43 H new ATOM 0 HD21 LEU A 63 3.502 21.667 -8.201 1.00 30.21 H new ATOM 0 HD22 LEU A 63 2.160 22.317 -9.173 1.00 30.21 H new ATOM 0 HD23 LEU A 63 3.584 21.617 -9.978 1.00 30.21 H new ATOM 1061 N VAL A 64 0.823 26.078 -9.976 1.00 32.44 N ATOM 1062 CA VAL A 64 -0.059 26.755 -9.033 1.00 32.13 C ATOM 1063 C VAL A 64 -1.363 27.173 -9.703 1.00 41.41 C ATOM 1064 O VAL A 64 -1.361 27.953 -10.657 1.00 30.43 O ATOM 1065 CB VAL A 64 0.616 27.999 -8.427 1.00 3.42 C ATOM 1066 CG1 VAL A 64 1.757 27.593 -7.506 1.00 12.21 C ATOM 1067 CG2 VAL A 64 1.113 28.925 -9.528 1.00 33.34 C ATOM 0 H VAL A 64 1.129 26.657 -10.758 1.00 32.44 H new ATOM 0 HA VAL A 64 -0.275 26.044 -8.236 1.00 32.13 H new ATOM 0 HB VAL A 64 -0.123 28.539 -7.835 1.00 3.42 H new ATOM 0 HG11 VAL A 64 2.222 28.486 -7.087 1.00 12.21 H new ATOM 0 HG12 VAL A 64 1.369 26.973 -6.698 1.00 12.21 H new ATOM 0 HG13 VAL A 64 2.499 27.029 -8.072 1.00 12.21 H new ATOM 0 HG21 VAL A 64 1.587 29.799 -9.082 1.00 33.34 H new ATOM 0 HG22 VAL A 64 1.837 28.397 -10.149 1.00 33.34 H new ATOM 0 HG23 VAL A 64 0.271 29.243 -10.143 1.00 33.34 H new ATOM 1077 N HIS A 65 -2.476 26.651 -9.198 1.00 10.11 N ATOM 1078 CA HIS A 65 -3.789 26.972 -9.747 1.00 63.53 C ATOM 1079 C HIS A 65 -4.344 28.246 -9.119 1.00 34.12 C ATOM 1080 O HIS A 65 -5.485 28.631 -9.376 1.00 71.14 O ATOM 1081 CB HIS A 65 -4.758 25.811 -9.518 1.00 42.42 C ATOM 1082 CG HIS A 65 -5.643 25.529 -10.693 1.00 11.50 C ATOM 1083 ND1 HIS A 65 -5.405 25.620 -12.022 1.00 11.44 N flip ATOM 1084 CD2 HIS A 65 -6.947 25.099 -10.567 1.00 55.14 C flip ATOM 1085 CE1 HIS A 65 -6.558 25.246 -12.668 1.00 23.05 C flip ATOM 1086 NE2 HIS A 65 -7.473 24.936 -11.768 1.00 60.25 N flip ATOM 0 H HIS A 65 -2.495 26.004 -8.410 1.00 10.11 H new ATOM 0 HA HIS A 65 -3.678 27.136 -10.819 1.00 63.53 H new ATOM 0 HB2 HIS A 65 -4.187 24.914 -9.280 1.00 42.42 H new ATOM 0 HB3 HIS A 65 -5.379 26.033 -8.650 1.00 42.42 H new ATOM 0 HD2 HIS A 65 -7.459 24.923 -9.632 1.00 55.14 H new ATOM 0 HE1 HIS A 65 -6.694 25.211 -13.739 1.00 23.05 H new ATOM 0 HE2 HIS A 65 -8.424 24.624 -11.966 1.00 60.25 H new ATOM 1094 N PHE A 66 -3.531 28.896 -8.293 1.00 31.21 N ATOM 1095 CA PHE A 66 -3.942 30.126 -7.626 1.00 71.21 C ATOM 1096 C PHE A 66 -4.426 31.159 -8.640 1.00 22.41 C ATOM 1097 O PHE A 66 -4.127 31.062 -9.830 1.00 4.45 O ATOM 1098 CB PHE A 66 -2.783 30.700 -6.810 1.00 5.34 C ATOM 1099 CG PHE A 66 -1.839 31.544 -7.619 1.00 73.40 C ATOM 1100 CD1 PHE A 66 -1.306 31.066 -8.805 1.00 71.03 C ATOM 1101 CD2 PHE A 66 -1.485 32.814 -7.193 1.00 75.22 C ATOM 1102 CE1 PHE A 66 -0.438 31.840 -9.553 1.00 31.42 C ATOM 1103 CE2 PHE A 66 -0.618 33.592 -7.937 1.00 14.03 C ATOM 1104 CZ PHE A 66 -0.093 33.104 -9.117 1.00 71.12 C ATOM 0 H PHE A 66 -2.584 28.591 -8.069 1.00 31.21 H new ATOM 0 HA PHE A 66 -4.767 29.888 -6.955 1.00 71.21 H new ATOM 0 HB2 PHE A 66 -3.186 31.300 -5.994 1.00 5.34 H new ATOM 0 HB3 PHE A 66 -2.227 29.879 -6.357 1.00 5.34 H new ATOM 0 HD1 PHE A 66 -1.571 30.077 -9.149 1.00 71.03 H new ATOM 0 HD2 PHE A 66 -1.891 33.200 -6.270 1.00 75.22 H new ATOM 0 HE1 PHE A 66 -0.031 31.457 -10.477 1.00 31.42 H new ATOM 0 HE2 PHE A 66 -0.351 34.581 -7.595 1.00 14.03 H new ATOM 0 HZ PHE A 66 0.586 33.710 -9.698 1.00 71.12 H new ATOM 1114 N GLU A 67 -5.176 32.145 -8.159 1.00 4.32 N ATOM 1115 CA GLU A 67 -5.702 33.195 -9.023 1.00 40.03 C ATOM 1116 C GLU A 67 -5.066 34.542 -8.692 1.00 41.25 C ATOM 1117 O GLU A 67 -4.538 34.740 -7.599 1.00 13.01 O ATOM 1118 CB GLU A 67 -7.223 33.288 -8.882 1.00 3.23 C ATOM 1119 CG GLU A 67 -7.689 33.502 -7.451 1.00 61.34 C ATOM 1120 CD GLU A 67 -8.771 34.558 -7.342 1.00 74.12 C ATOM 1121 OE1 GLU A 67 -8.553 35.685 -7.833 1.00 2.23 O ATOM 1122 OE2 GLU A 67 -9.838 34.256 -6.766 1.00 43.30 O ATOM 0 H GLU A 67 -5.433 32.239 -7.176 1.00 4.32 H new ATOM 0 HA GLU A 67 -5.455 32.940 -10.053 1.00 40.03 H new ATOM 0 HB2 GLU A 67 -7.587 34.108 -9.501 1.00 3.23 H new ATOM 0 HB3 GLU A 67 -7.672 32.373 -9.269 1.00 3.23 H new ATOM 0 HG2 GLU A 67 -8.064 32.560 -7.050 1.00 61.34 H new ATOM 0 HG3 GLU A 67 -6.838 33.794 -6.836 1.00 61.34 H new ATOM 1129 N GLY A 68 -5.120 35.466 -9.647 1.00 40.13 N ATOM 1130 CA GLY A 68 -4.545 36.782 -9.439 1.00 54.32 C ATOM 1131 C GLY A 68 -3.052 36.811 -9.698 1.00 72.34 C ATOM 1132 O GLY A 68 -2.387 35.777 -9.640 1.00 45.45 O ATOM 0 H GLY A 68 -5.552 35.326 -10.561 1.00 40.13 H new ATOM 0 HA2 GLY A 68 -5.038 37.498 -10.096 1.00 54.32 H new ATOM 0 HA3 GLY A 68 -4.739 37.102 -8.415 1.00 54.32 H new ATOM 1136 N GLU A 69 -2.525 37.997 -9.987 1.00 34.24 N ATOM 1137 CA GLU A 69 -1.101 38.154 -10.258 1.00 74.23 C ATOM 1138 C GLU A 69 -0.296 38.140 -8.962 1.00 44.15 C ATOM 1139 O GLU A 69 0.919 37.945 -8.977 1.00 44.40 O ATOM 1140 CB GLU A 69 -0.845 39.457 -11.017 1.00 51.34 C ATOM 1141 CG GLU A 69 -1.760 39.654 -12.215 1.00 4.43 C ATOM 1142 CD GLU A 69 -1.112 40.473 -13.315 1.00 32.21 C ATOM 1143 OE1 GLU A 69 -0.206 39.945 -13.993 1.00 11.11 O ATOM 1144 OE2 GLU A 69 -1.512 41.642 -13.498 1.00 34.34 O ATOM 0 H GLU A 69 -3.063 38.862 -10.039 1.00 34.24 H new ATOM 0 HA GLU A 69 -0.779 37.314 -10.874 1.00 74.23 H new ATOM 0 HB2 GLU A 69 -0.970 40.297 -10.333 1.00 51.34 H new ATOM 0 HB3 GLU A 69 0.191 39.473 -11.355 1.00 51.34 H new ATOM 0 HG2 GLU A 69 -2.047 38.680 -12.613 1.00 4.43 H new ATOM 0 HG3 GLU A 69 -2.676 40.148 -11.891 1.00 4.43 H new ATOM 1151 N MET A 70 -0.982 38.349 -7.844 1.00 22.13 N ATOM 1152 CA MET A 70 -0.330 38.360 -6.539 1.00 34.01 C ATOM 1153 C MET A 70 -1.343 38.121 -5.424 1.00 32.43 C ATOM 1154 O MET A 70 -2.553 38.152 -5.653 1.00 31.43 O ATOM 1155 CB MET A 70 0.387 39.692 -6.315 1.00 2.43 C ATOM 1156 CG MET A 70 -0.499 40.906 -6.543 1.00 33.04 C ATOM 1157 SD MET A 70 0.202 42.065 -7.732 1.00 42.04 S ATOM 1158 CE MET A 70 -1.284 42.688 -8.515 1.00 3.24 C ATOM 0 H MET A 70 -1.988 38.513 -7.815 1.00 22.13 H new ATOM 0 HA MET A 70 0.403 37.553 -6.520 1.00 34.01 H new ATOM 0 HB2 MET A 70 0.773 39.720 -5.296 1.00 2.43 H new ATOM 0 HB3 MET A 70 1.246 39.749 -6.983 1.00 2.43 H new ATOM 0 HG2 MET A 70 -1.476 40.576 -6.896 1.00 33.04 H new ATOM 0 HG3 MET A 70 -0.659 41.418 -5.594 1.00 33.04 H new ATOM 0 HE1 MET A 70 -1.013 43.308 -9.369 1.00 3.24 H new ATOM 0 HE2 MET A 70 -1.895 41.851 -8.854 1.00 3.24 H new ATOM 0 HE3 MET A 70 -1.850 43.284 -7.799 1.00 3.24 H new ATOM 1168 N LEU A 71 -0.842 37.882 -4.217 1.00 21.41 N ATOM 1169 CA LEU A 71 -1.703 37.637 -3.065 1.00 74.44 C ATOM 1170 C LEU A 71 -1.294 38.510 -1.884 1.00 34.14 C ATOM 1171 O LEU A 71 -0.156 38.449 -1.419 1.00 32.11 O ATOM 1172 CB LEU A 71 -1.648 36.161 -2.667 1.00 22.31 C ATOM 1173 CG LEU A 71 -1.878 35.152 -3.793 1.00 11.30 C ATOM 1174 CD1 LEU A 71 -1.971 33.741 -3.235 1.00 21.33 C ATOM 1175 CD2 LEU A 71 -3.136 35.503 -4.574 1.00 34.23 C ATOM 0 H LEU A 71 0.156 37.853 -4.011 1.00 21.41 H new ATOM 0 HA LEU A 71 -2.725 37.893 -3.345 1.00 74.44 H new ATOM 0 HB2 LEU A 71 -0.673 35.962 -2.221 1.00 22.31 H new ATOM 0 HB3 LEU A 71 -2.394 35.986 -1.892 1.00 22.31 H new ATOM 0 HG LEU A 71 -1.028 35.196 -4.473 1.00 11.30 H new ATOM 0 HD11 LEU A 71 -2.135 33.037 -4.051 1.00 21.33 H new ATOM 0 HD12 LEU A 71 -1.043 33.491 -2.721 1.00 21.33 H new ATOM 0 HD13 LEU A 71 -2.802 33.682 -2.532 1.00 21.33 H new ATOM 0 HD21 LEU A 71 -3.284 34.775 -5.371 1.00 34.23 H new ATOM 0 HD22 LEU A 71 -3.996 35.488 -3.904 1.00 34.23 H new ATOM 0 HD23 LEU A 71 -3.030 36.498 -5.007 1.00 34.23 H new ATOM 1187 N TRP A 72 -2.230 39.320 -1.402 1.00 32.44 N ATOM 1188 CA TRP A 72 -1.967 40.204 -0.272 1.00 14.01 C ATOM 1189 C TRP A 72 -2.316 39.522 1.046 1.00 21.32 C ATOM 1190 O TRP A 72 -3.453 39.098 1.254 1.00 44.14 O ATOM 1191 CB TRP A 72 -2.766 41.500 -0.416 1.00 52.42 C ATOM 1192 CG TRP A 72 -2.470 42.242 -1.684 1.00 52.53 C ATOM 1193 CD1 TRP A 72 -3.375 42.669 -2.614 1.00 44.24 C ATOM 1194 CD2 TRP A 72 -1.181 42.643 -2.162 1.00 12.12 C ATOM 1195 NE1 TRP A 72 -2.725 43.311 -3.641 1.00 74.15 N ATOM 1196 CE2 TRP A 72 -1.379 43.309 -3.387 1.00 55.11 C ATOM 1197 CE3 TRP A 72 0.121 42.506 -1.673 1.00 14.13 C ATOM 1198 CZ2 TRP A 72 -0.324 43.834 -4.128 1.00 1.00 C ATOM 1199 CZ3 TRP A 72 1.167 43.027 -2.409 1.00 42.34 C ATOM 1200 CH2 TRP A 72 0.940 43.685 -3.625 1.00 42.35 C ATOM 0 H TRP A 72 -3.177 39.383 -1.776 1.00 32.44 H new ATOM 0 HA TRP A 72 -0.903 40.439 -0.267 1.00 14.01 H new ATOM 0 HB2 TRP A 72 -3.830 41.268 -0.379 1.00 52.42 H new ATOM 0 HB3 TRP A 72 -2.551 42.147 0.434 1.00 52.42 H new ATOM 0 HD1 TRP A 72 -4.443 42.524 -2.552 1.00 44.24 H new ATOM 0 HE1 TRP A 72 -3.173 43.722 -4.460 1.00 74.15 H new ATOM 0 HE3 TRP A 72 0.306 42.002 -0.736 1.00 14.13 H new ATOM 0 HZ2 TRP A 72 -0.497 44.341 -5.066 1.00 1.00 H new ATOM 0 HZ3 TRP A 72 2.177 42.926 -2.041 1.00 42.34 H new ATOM 0 HH2 TRP A 72 1.779 44.083 -4.176 1.00 42.35 H new ATOM 1211 N GLN A 73 -1.331 39.419 1.933 1.00 13.11 N ATOM 1212 CA GLN A 73 -1.536 38.787 3.231 1.00 2.22 C ATOM 1213 C GLN A 73 -2.743 39.388 3.945 1.00 64.42 C ATOM 1214 O GLN A 73 -2.841 40.604 4.103 1.00 21.45 O ATOM 1215 CB GLN A 73 -0.286 38.941 4.100 1.00 50.44 C ATOM 1216 CG GLN A 73 -0.097 37.812 5.100 1.00 51.32 C ATOM 1217 CD GLN A 73 -0.851 38.047 6.394 1.00 70.10 C ATOM 1218 OE1 GLN A 73 -1.178 39.183 6.738 1.00 34.10 O ATOM 1219 NE2 GLN A 73 -1.131 36.971 7.120 1.00 71.44 N ATOM 0 H GLN A 73 -0.384 39.765 1.777 1.00 13.11 H new ATOM 0 HA GLN A 73 -1.726 37.727 3.064 1.00 2.22 H new ATOM 0 HB2 GLN A 73 0.591 38.994 3.455 1.00 50.44 H new ATOM 0 HB3 GLN A 73 -0.343 39.887 4.639 1.00 50.44 H new ATOM 0 HG2 GLN A 73 -0.432 36.876 4.653 1.00 51.32 H new ATOM 0 HG3 GLN A 73 0.965 37.699 5.318 1.00 51.32 H new ATOM 0 HE21 GLN A 73 -0.841 36.048 6.797 1.00 71.44 H new ATOM 0 HE22 GLN A 73 -1.636 37.067 8.001 1.00 71.44 H new ATOM 1228 N GLY A 74 -3.660 38.526 4.373 1.00 20.33 N ATOM 1229 CA GLY A 74 -4.848 38.990 5.065 1.00 55.04 C ATOM 1230 C GLY A 74 -5.993 39.285 4.116 1.00 40.35 C ATOM 1231 O GLY A 74 -7.115 39.553 4.547 1.00 24.22 O ATOM 0 H GLY A 74 -3.601 37.515 4.253 1.00 20.33 H new ATOM 0 HA2 GLY A 74 -5.163 38.236 5.786 1.00 55.04 H new ATOM 0 HA3 GLY A 74 -4.607 39.890 5.630 1.00 55.04 H new ATOM 1235 N LYS A 75 -5.711 39.239 2.818 1.00 24.20 N ATOM 1236 CA LYS A 75 -6.724 39.504 1.804 1.00 71.31 C ATOM 1237 C LYS A 75 -6.876 38.313 0.862 1.00 4.50 C ATOM 1238 O LYS A 75 -7.979 37.805 0.661 1.00 2.32 O ATOM 1239 CB LYS A 75 -6.360 40.757 1.005 1.00 70.03 C ATOM 1240 CG LYS A 75 -5.918 41.924 1.871 1.00 75.20 C ATOM 1241 CD LYS A 75 -7.050 42.422 2.754 1.00 0.13 C ATOM 1242 CE LYS A 75 -6.539 42.868 4.116 1.00 73.11 C ATOM 1243 NZ LYS A 75 -6.867 44.294 4.392 1.00 52.04 N ATOM 0 H LYS A 75 -4.788 39.020 2.444 1.00 24.20 H new ATOM 0 HA LYS A 75 -7.675 39.668 2.311 1.00 71.31 H new ATOM 0 HB2 LYS A 75 -5.561 40.512 0.305 1.00 70.03 H new ATOM 0 HB3 LYS A 75 -7.222 41.062 0.411 1.00 70.03 H new ATOM 0 HG2 LYS A 75 -5.077 41.619 2.493 1.00 75.20 H new ATOM 0 HG3 LYS A 75 -5.566 42.737 1.236 1.00 75.20 H new ATOM 0 HD2 LYS A 75 -7.556 43.254 2.264 1.00 0.13 H new ATOM 0 HD3 LYS A 75 -7.788 41.630 2.882 1.00 0.13 H new ATOM 0 HE2 LYS A 75 -6.975 42.238 4.891 1.00 73.11 H new ATOM 0 HE3 LYS A 75 -5.459 42.728 4.162 1.00 73.11 H new ATOM 0 HZ1 LYS A 75 -6.502 44.559 5.329 1.00 52.04 H new ATOM 0 HZ2 LYS A 75 -6.430 44.897 3.667 1.00 52.04 H new ATOM 0 HZ3 LYS A 75 -7.899 44.423 4.373 1.00 52.04 H new ATOM 1257 N ASP A 76 -5.761 37.873 0.289 1.00 51.24 N ATOM 1258 CA ASP A 76 -5.770 36.741 -0.630 1.00 62.31 C ATOM 1259 C ASP A 76 -5.401 35.450 0.095 1.00 41.13 C ATOM 1260 O ASP A 76 -5.097 34.437 -0.536 1.00 2.41 O ATOM 1261 CB ASP A 76 -4.799 36.987 -1.786 1.00 23.32 C ATOM 1262 CG ASP A 76 -5.467 37.653 -2.972 1.00 13.41 C ATOM 1263 OD1 ASP A 76 -6.480 37.113 -3.463 1.00 32.24 O ATOM 1264 OD2 ASP A 76 -4.977 38.715 -3.410 1.00 52.41 O ATOM 0 H ASP A 76 -4.840 38.283 0.445 1.00 51.24 H new ATOM 0 HA ASP A 76 -6.779 36.637 -1.030 1.00 62.31 H new ATOM 0 HB2 ASP A 76 -3.976 37.612 -1.439 1.00 23.32 H new ATOM 0 HB3 ASP A 76 -4.367 36.037 -2.102 1.00 23.32 H new ATOM 1269 N ASP A 77 -5.429 35.494 1.422 1.00 2.51 N ATOM 1270 CA ASP A 77 -5.097 34.329 2.233 1.00 33.22 C ATOM 1271 C ASP A 77 -6.032 33.165 1.919 1.00 21.23 C ATOM 1272 O ASP A 77 -5.671 32.000 2.093 1.00 4.41 O ATOM 1273 CB ASP A 77 -5.177 34.676 3.721 1.00 51.45 C ATOM 1274 CG ASP A 77 -6.599 34.938 4.178 1.00 25.15 C ATOM 1275 OD1 ASP A 77 -7.372 35.534 3.400 1.00 2.14 O ATOM 1276 OD2 ASP A 77 -6.937 34.547 5.315 1.00 14.14 O ATOM 0 H ASP A 77 -5.678 36.324 1.959 1.00 2.51 H new ATOM 0 HA ASP A 77 -4.077 34.029 1.993 1.00 33.22 H new ATOM 0 HB2 ASP A 77 -4.755 33.858 4.305 1.00 51.45 H new ATOM 0 HB3 ASP A 77 -4.566 35.557 3.919 1.00 51.45 H new ATOM 1281 N HIS A 78 -7.236 33.487 1.457 1.00 1.10 N ATOM 1282 CA HIS A 78 -8.223 32.468 1.119 1.00 32.03 C ATOM 1283 C HIS A 78 -7.795 31.685 -0.118 1.00 44.43 C ATOM 1284 O HIS A 78 -8.261 30.570 -0.353 1.00 3.34 O ATOM 1285 CB HIS A 78 -9.590 33.111 0.883 1.00 71.35 C ATOM 1286 CG HIS A 78 -9.662 33.920 -0.376 1.00 22.50 C ATOM 1287 ND1 HIS A 78 -9.772 33.536 -1.670 1.00 73.33 N flip ATOM 1288 CD2 HIS A 78 -9.619 35.298 -0.388 1.00 10.45 C flip ATOM 1289 CE1 HIS A 78 -9.795 34.678 -2.432 1.00 11.42 C flip ATOM 1290 NE2 HIS A 78 -9.702 35.727 -1.635 1.00 11.32 N flip ATOM 0 H HIS A 78 -7.552 34.445 1.308 1.00 1.10 H new ATOM 0 HA HIS A 78 -8.295 31.775 1.958 1.00 32.03 H new ATOM 0 HB2 HIS A 78 -10.349 32.329 0.847 1.00 71.35 H new ATOM 0 HB3 HIS A 78 -9.832 33.751 1.731 1.00 71.35 H new ATOM 0 HD2 HIS A 78 -9.531 35.928 0.485 1.00 10.45 H new ATOM 0 HE1 HIS A 78 -9.876 34.713 -3.508 1.00 11.42 H new ATOM 0 HE2 HIS A 78 -9.695 36.703 -1.932 1.00 11.32 H new ATOM 1298 N VAL A 79 -6.904 32.278 -0.908 1.00 74.42 N ATOM 1299 CA VAL A 79 -6.413 31.636 -2.122 1.00 3.03 C ATOM 1300 C VAL A 79 -5.818 30.266 -1.817 1.00 31.24 C ATOM 1301 O VAL A 79 -4.807 30.156 -1.122 1.00 53.24 O ATOM 1302 CB VAL A 79 -5.348 32.501 -2.822 1.00 51.11 C ATOM 1303 CG1 VAL A 79 -4.774 31.771 -4.026 1.00 70.44 C ATOM 1304 CG2 VAL A 79 -5.938 33.842 -3.233 1.00 24.03 C ATOM 0 H VAL A 79 -6.508 33.201 -0.729 1.00 74.42 H new ATOM 0 HA VAL A 79 -7.269 31.518 -2.786 1.00 3.03 H new ATOM 0 HB VAL A 79 -4.536 32.687 -2.119 1.00 51.11 H new ATOM 0 HG11 VAL A 79 -4.023 32.398 -4.508 1.00 70.44 H new ATOM 0 HG12 VAL A 79 -4.313 30.838 -3.700 1.00 70.44 H new ATOM 0 HG13 VAL A 79 -5.573 31.553 -4.734 1.00 70.44 H new ATOM 0 HG21 VAL A 79 -5.172 34.441 -3.726 1.00 24.03 H new ATOM 0 HG22 VAL A 79 -6.769 33.679 -3.919 1.00 24.03 H new ATOM 0 HG23 VAL A 79 -6.296 34.368 -2.348 1.00 24.03 H new ATOM 1314 N VAL A 80 -6.452 29.222 -2.341 1.00 31.43 N ATOM 1315 CA VAL A 80 -5.985 27.857 -2.126 1.00 52.11 C ATOM 1316 C VAL A 80 -5.008 27.433 -3.217 1.00 21.25 C ATOM 1317 O VAL A 80 -5.341 27.445 -4.402 1.00 14.12 O ATOM 1318 CB VAL A 80 -7.160 26.861 -2.089 1.00 4.33 C ATOM 1319 CG1 VAL A 80 -6.646 25.432 -2.008 1.00 63.02 C ATOM 1320 CG2 VAL A 80 -8.083 27.171 -0.920 1.00 52.12 C ATOM 0 H VAL A 80 -7.290 29.295 -2.917 1.00 31.43 H new ATOM 0 HA VAL A 80 -5.477 27.844 -1.162 1.00 52.11 H new ATOM 0 HB VAL A 80 -7.731 26.964 -3.012 1.00 4.33 H new ATOM 0 HG11 VAL A 80 -7.490 24.743 -1.983 1.00 63.02 H new ATOM 0 HG12 VAL A 80 -6.028 25.218 -2.880 1.00 63.02 H new ATOM 0 HG13 VAL A 80 -6.051 25.310 -1.103 1.00 63.02 H new ATOM 0 HG21 VAL A 80 -8.908 26.458 -0.909 1.00 52.12 H new ATOM 0 HG22 VAL A 80 -7.525 27.096 0.014 1.00 52.12 H new ATOM 0 HG23 VAL A 80 -8.478 28.181 -1.026 1.00 52.12 H new ATOM 1330 N ILE A 81 -3.801 27.057 -2.808 1.00 4.41 N ATOM 1331 CA ILE A 81 -2.775 26.627 -3.750 1.00 52.54 C ATOM 1332 C ILE A 81 -2.681 25.106 -3.805 1.00 15.43 C ATOM 1333 O ILE A 81 -2.219 24.467 -2.859 1.00 65.05 O ATOM 1334 CB ILE A 81 -1.395 27.203 -3.382 1.00 21.33 C ATOM 1335 CG1 ILE A 81 -1.441 28.732 -3.375 1.00 1.11 C ATOM 1336 CG2 ILE A 81 -0.336 26.704 -4.354 1.00 33.54 C ATOM 1337 CD1 ILE A 81 -1.854 29.318 -2.043 1.00 4.22 C ATOM 0 H ILE A 81 -3.510 27.041 -1.831 1.00 4.41 H new ATOM 0 HA ILE A 81 -3.068 27.006 -4.729 1.00 52.54 H new ATOM 0 HB ILE A 81 -1.131 26.862 -2.381 1.00 21.33 H new ATOM 0 HG12 ILE A 81 -0.458 29.118 -3.643 1.00 1.11 H new ATOM 0 HG13 ILE A 81 -2.137 29.070 -4.143 1.00 1.11 H new ATOM 0 HG21 ILE A 81 0.634 27.120 -4.081 1.00 33.54 H new ATOM 0 HG22 ILE A 81 -0.289 25.616 -4.313 1.00 33.54 H new ATOM 0 HG23 ILE A 81 -0.593 27.018 -5.365 1.00 33.54 H new ATOM 0 HD11 ILE A 81 -1.865 30.406 -2.112 1.00 4.22 H new ATOM 0 HD12 ILE A 81 -2.850 28.961 -1.782 1.00 4.22 H new ATOM 0 HD13 ILE A 81 -1.145 29.010 -1.274 1.00 4.22 H new ATOM 1349 N THR A 82 -3.123 24.531 -4.919 1.00 43.12 N ATOM 1350 CA THR A 82 -3.088 23.085 -5.098 1.00 53.11 C ATOM 1351 C THR A 82 -1.948 22.672 -6.021 1.00 44.42 C ATOM 1352 O THR A 82 -1.952 22.990 -7.211 1.00 75.34 O ATOM 1353 CB THR A 82 -4.416 22.559 -5.675 1.00 32.34 C ATOM 1354 OG1 THR A 82 -4.268 21.192 -6.077 1.00 11.42 O ATOM 1355 CG2 THR A 82 -4.860 23.397 -6.863 1.00 53.45 C ATOM 0 H THR A 82 -3.509 25.045 -5.711 1.00 43.12 H new ATOM 0 HA THR A 82 -2.929 22.648 -4.112 1.00 53.11 H new ATOM 0 HB THR A 82 -5.177 22.629 -4.898 1.00 32.34 H new ATOM 0 HG1 THR A 82 -5.117 20.864 -6.441 1.00 11.42 H new ATOM 0 HG21 THR A 82 -5.800 23.006 -7.253 1.00 53.45 H new ATOM 0 HG22 THR A 82 -5.000 24.431 -6.547 1.00 53.45 H new ATOM 0 HG23 THR A 82 -4.099 23.356 -7.642 1.00 53.45 H new ATOM 1363 N LEU A 83 -0.971 21.963 -5.466 1.00 71.24 N ATOM 1364 CA LEU A 83 0.177 21.505 -6.241 1.00 3.21 C ATOM 1365 C LEU A 83 -0.271 20.835 -7.536 1.00 32.25 C ATOM 1366 O LEU A 83 -0.761 19.704 -7.525 1.00 4.52 O ATOM 1367 CB LEU A 83 1.020 20.532 -5.414 1.00 74.14 C ATOM 1368 CG LEU A 83 2.535 20.714 -5.502 1.00 42.21 C ATOM 1369 CD1 LEU A 83 2.936 22.098 -5.014 1.00 34.30 C ATOM 1370 CD2 LEU A 83 3.249 19.636 -4.700 1.00 4.21 C ATOM 0 H LEU A 83 -0.951 21.693 -4.483 1.00 71.24 H new ATOM 0 HA LEU A 83 0.782 22.375 -6.496 1.00 3.21 H new ATOM 0 HB2 LEU A 83 0.723 20.623 -4.369 1.00 74.14 H new ATOM 0 HB3 LEU A 83 0.778 19.516 -5.727 1.00 74.14 H new ATOM 0 HG LEU A 83 2.833 20.619 -6.546 1.00 42.21 H new ATOM 0 HD11 LEU A 83 4.018 22.209 -5.084 1.00 34.30 H new ATOM 0 HD12 LEU A 83 2.453 22.856 -5.631 1.00 34.30 H new ATOM 0 HD13 LEU A 83 2.625 22.222 -3.977 1.00 34.30 H new ATOM 0 HD21 LEU A 83 4.327 19.781 -4.774 1.00 4.21 H new ATOM 0 HD22 LEU A 83 2.945 19.699 -3.655 1.00 4.21 H new ATOM 0 HD23 LEU A 83 2.987 18.655 -5.096 1.00 4.21 H new ATOM 1382 N LEU A 84 -0.099 21.537 -8.650 1.00 14.53 N ATOM 1383 CA LEU A 84 -0.484 21.010 -9.954 1.00 73.31 C ATOM 1384 C LEU A 84 0.711 20.376 -10.659 1.00 75.41 C ATOM 1385 O LEU A 84 1.373 21.016 -11.475 1.00 74.31 O ATOM 1386 CB LEU A 84 -1.072 22.123 -10.823 1.00 70.34 C ATOM 1387 CG LEU A 84 -2.215 22.926 -10.203 1.00 12.45 C ATOM 1388 CD1 LEU A 84 -2.852 23.838 -11.240 1.00 62.01 C ATOM 1389 CD2 LEU A 84 -3.256 21.994 -9.598 1.00 44.55 C ATOM 0 H LEU A 84 0.305 22.473 -8.676 1.00 14.53 H new ATOM 0 HA LEU A 84 -1.241 20.241 -9.799 1.00 73.31 H new ATOM 0 HB2 LEU A 84 -0.270 22.813 -11.085 1.00 70.34 H new ATOM 0 HB3 LEU A 84 -1.429 21.680 -11.753 1.00 70.34 H new ATOM 0 HG LEU A 84 -1.806 23.547 -9.406 1.00 12.45 H new ATOM 0 HD11 LEU A 84 -3.664 24.401 -10.780 1.00 62.01 H new ATOM 0 HD12 LEU A 84 -2.103 24.530 -11.625 1.00 62.01 H new ATOM 0 HD13 LEU A 84 -3.247 23.237 -12.059 1.00 62.01 H new ATOM 0 HD21 LEU A 84 -4.062 22.584 -9.161 1.00 44.55 H new ATOM 0 HD22 LEU A 84 -3.660 21.346 -10.376 1.00 44.55 H new ATOM 0 HD23 LEU A 84 -2.792 21.384 -8.823 1.00 44.55 H new ATOM 1401 N GLU A 85 0.978 19.113 -10.339 1.00 43.34 N ATOM 1402 CA GLU A 85 2.093 18.393 -10.944 1.00 33.21 C ATOM 1403 C GLU A 85 1.592 17.219 -11.781 1.00 11.31 C ATOM 1404 O GLU A 85 1.272 17.376 -12.959 1.00 11.54 O ATOM 1405 CB GLU A 85 3.051 17.890 -9.862 1.00 35.31 C ATOM 1406 CG GLU A 85 4.123 18.897 -9.483 1.00 24.43 C ATOM 1407 CD GLU A 85 5.281 18.262 -8.737 1.00 4.31 C ATOM 1408 OE1 GLU A 85 5.895 17.322 -9.283 1.00 24.14 O ATOM 1409 OE2 GLU A 85 5.573 18.707 -7.607 1.00 44.20 O ATOM 0 H GLU A 85 0.439 18.569 -9.666 1.00 43.34 H new ATOM 0 HA GLU A 85 2.626 19.083 -11.599 1.00 33.21 H new ATOM 0 HB2 GLU A 85 2.477 17.631 -8.972 1.00 35.31 H new ATOM 0 HB3 GLU A 85 3.531 16.975 -10.210 1.00 35.31 H new ATOM 0 HG2 GLU A 85 4.498 19.380 -10.385 1.00 24.43 H new ATOM 0 HG3 GLU A 85 3.681 19.677 -8.864 1.00 24.43 H new TER 1416 GLU A 85