USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=11 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= -0.811 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= -1.27 K(o=-1.8,f=-3.8) USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0385 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.079 X(o=-0.079,f=-0.21) 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 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -88:sc= 1.22 USER MOD Single : A 24 MET CE :methyl 162:sc= -8.28! (180deg=-9.8!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.117 (180deg=-0.467) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0152 USER MOD Single : A 56 MET CE :methyl -165:sc= 0 (180deg=-0.303) 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 : no HD1:sc= -0.591 X(o=-0.59,f=-0.38) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.386 2.231 -1.128 1.00 31.53 N ATOM 2 CA GLY A 1 0.815 1.143 -1.987 1.00 44.24 C ATOM 3 C GLY A 1 1.223 1.621 -3.367 1.00 53.21 C ATOM 4 O GLY A 1 1.651 2.762 -3.534 1.00 44.54 O ATOM 0 H1 GLY A 1 0.831 2.132 -0.193 1.00 31.53 H new ATOM 0 H2 GLY A 1 0.667 3.139 -1.551 1.00 31.53 H new ATOM 0 H3 GLY A 1 -0.648 2.203 -1.023 1.00 31.53 H new ATOM 0 HA2 GLY A 1 1.654 0.626 -1.522 1.00 44.24 H new ATOM 0 HA3 GLY A 1 0.007 0.418 -2.081 1.00 44.24 H new ATOM 8 N ALA A 2 1.090 0.746 -4.358 1.00 22.50 N ATOM 9 CA ALA A 2 1.447 1.085 -5.730 1.00 23.41 C ATOM 10 C ALA A 2 0.374 1.953 -6.378 1.00 60.40 C ATOM 11 O ALA A 2 -0.590 2.354 -5.727 1.00 23.15 O ATOM 12 CB ALA A 2 1.669 -0.181 -6.545 1.00 43.55 C ATOM 0 H ALA A 2 0.737 -0.203 -4.236 1.00 22.50 H new ATOM 0 HA ALA A 2 2.375 1.657 -5.708 1.00 23.41 H new ATOM 0 HB1 ALA A 2 1.935 0.087 -7.568 1.00 43.55 H new ATOM 0 HB2 ALA A 2 2.476 -0.763 -6.101 1.00 43.55 H new ATOM 0 HB3 ALA A 2 0.755 -0.775 -6.551 1.00 43.55 H new ATOM 18 N MET A 3 0.548 2.239 -7.664 1.00 42.10 N ATOM 19 CA MET A 3 -0.407 3.060 -8.400 1.00 22.41 C ATOM 20 C MET A 3 -0.669 4.374 -7.671 1.00 60.14 C ATOM 21 O MET A 3 -1.797 4.865 -7.645 1.00 42.42 O ATOM 22 CB MET A 3 -1.720 2.300 -8.595 1.00 15.22 C ATOM 23 CG MET A 3 -1.535 0.898 -9.151 1.00 61.20 C ATOM 24 SD MET A 3 -3.060 -0.064 -9.134 1.00 11.25 S ATOM 25 CE MET A 3 -3.507 -0.021 -10.867 1.00 60.55 C ATOM 0 H MET A 3 1.341 1.915 -8.218 1.00 42.10 H new ATOM 0 HA MET A 3 0.022 3.286 -9.376 1.00 22.41 H new ATOM 0 HB2 MET A 3 -2.239 2.237 -7.639 1.00 15.22 H new ATOM 0 HB3 MET A 3 -2.362 2.867 -9.269 1.00 15.22 H new ATOM 0 HG2 MET A 3 -1.163 0.963 -10.173 1.00 61.20 H new ATOM 0 HG3 MET A 3 -0.775 0.378 -8.568 1.00 61.20 H new ATOM 0 HE1 MET A 3 -4.433 -0.575 -11.018 1.00 60.55 H new ATOM 0 HE2 MET A 3 -3.648 1.013 -11.181 1.00 60.55 H new ATOM 0 HE3 MET A 3 -2.712 -0.475 -11.459 1.00 60.55 H new ATOM 35 N ALA A 4 0.380 4.938 -7.081 1.00 32.51 N ATOM 36 CA ALA A 4 0.263 6.195 -6.354 1.00 15.32 C ATOM 37 C ALA A 4 0.132 7.374 -7.313 1.00 24.22 C ATOM 38 O ALA A 4 -0.054 7.190 -8.516 1.00 34.44 O ATOM 39 CB ALA A 4 1.461 6.389 -5.437 1.00 21.43 C ATOM 0 H ALA A 4 1.321 4.544 -7.093 1.00 32.51 H new ATOM 0 HA ALA A 4 -0.641 6.152 -5.747 1.00 15.32 H new ATOM 0 HB1 ALA A 4 1.360 7.332 -4.900 1.00 21.43 H new ATOM 0 HB2 ALA A 4 1.508 5.568 -4.722 1.00 21.43 H new ATOM 0 HB3 ALA A 4 2.375 6.406 -6.031 1.00 21.43 H new ATOM 45 N ARG A 5 0.232 8.584 -6.773 1.00 14.03 N ATOM 46 CA ARG A 5 0.123 9.793 -7.581 1.00 31.42 C ATOM 47 C ARG A 5 1.501 10.278 -8.021 1.00 70.23 C ATOM 48 O ARG A 5 1.662 10.802 -9.123 1.00 4.43 O ATOM 49 CB ARG A 5 -0.591 10.894 -6.795 1.00 45.54 C ATOM 50 CG ARG A 5 -1.822 10.410 -6.048 1.00 73.13 C ATOM 51 CD ARG A 5 -2.812 9.734 -6.985 1.00 25.34 C ATOM 52 NE ARG A 5 -4.130 9.587 -6.375 1.00 13.35 N ATOM 53 CZ ARG A 5 -5.145 8.961 -6.960 1.00 14.43 C ATOM 54 NH1 ARG A 5 -4.993 8.426 -8.163 1.00 55.32 N ATOM 55 NH2 ARG A 5 -6.315 8.869 -6.341 1.00 14.45 N ATOM 0 H ARG A 5 0.388 8.753 -5.779 1.00 14.03 H new ATOM 0 HA ARG A 5 -0.460 9.555 -8.471 1.00 31.42 H new ATOM 0 HB2 ARG A 5 0.108 11.331 -6.082 1.00 45.54 H new ATOM 0 HB3 ARG A 5 -0.883 11.688 -7.482 1.00 45.54 H new ATOM 0 HG2 ARG A 5 -1.523 9.711 -5.267 1.00 73.13 H new ATOM 0 HG3 ARG A 5 -2.304 11.253 -5.554 1.00 73.13 H new ATOM 0 HD2 ARG A 5 -2.900 10.317 -7.902 1.00 25.34 H new ATOM 0 HD3 ARG A 5 -2.432 8.752 -7.267 1.00 25.34 H new ATOM 0 HE ARG A 5 -4.280 9.987 -5.449 1.00 13.35 H new ATOM 0 HH11 ARG A 5 -4.095 8.494 -8.642 1.00 55.32 H new ATOM 0 HH12 ARG A 5 -5.774 7.946 -8.610 1.00 55.32 H new ATOM 0 HH21 ARG A 5 -6.436 9.279 -5.415 1.00 14.45 H new ATOM 0 HH22 ARG A 5 -7.094 8.388 -6.791 1.00 14.45 H new ATOM 69 N ALA A 6 2.491 10.099 -7.153 1.00 10.12 N ATOM 70 CA ALA A 6 3.855 10.517 -7.453 1.00 12.14 C ATOM 71 C ALA A 6 3.896 11.972 -7.906 1.00 52.34 C ATOM 72 O ALA A 6 4.704 12.344 -8.756 1.00 63.23 O ATOM 73 CB ALA A 6 4.462 9.613 -8.515 1.00 42.54 C ATOM 0 H ALA A 6 2.374 9.667 -6.236 1.00 10.12 H new ATOM 0 HA ALA A 6 4.444 10.432 -6.540 1.00 12.14 H new ATOM 0 HB1 ALA A 6 5.481 9.937 -8.729 1.00 42.54 H new ATOM 0 HB2 ALA A 6 4.476 8.585 -8.153 1.00 42.54 H new ATOM 0 HB3 ALA A 6 3.865 9.669 -9.425 1.00 42.54 H new ATOM 79 N GLU A 7 3.018 12.791 -7.334 1.00 64.11 N ATOM 80 CA GLU A 7 2.955 14.205 -7.682 1.00 53.43 C ATOM 81 C GLU A 7 4.323 14.865 -7.532 1.00 73.23 C ATOM 82 O GLU A 7 4.662 15.787 -8.273 1.00 5.14 O ATOM 83 CB GLU A 7 1.931 14.925 -6.802 1.00 35.52 C ATOM 84 CG GLU A 7 2.426 15.199 -5.392 1.00 1.31 C ATOM 85 CD GLU A 7 2.769 13.930 -4.636 1.00 42.15 C ATOM 86 OE1 GLU A 7 2.029 12.935 -4.780 1.00 60.24 O ATOM 87 OE2 GLU A 7 3.779 13.933 -3.901 1.00 72.42 O ATOM 0 H GLU A 7 2.342 12.499 -6.628 1.00 64.11 H new ATOM 0 HA GLU A 7 2.646 14.282 -8.724 1.00 53.43 H new ATOM 0 HB2 GLU A 7 1.660 15.870 -7.273 1.00 35.52 H new ATOM 0 HB3 GLU A 7 1.023 14.324 -6.749 1.00 35.52 H new ATOM 0 HG2 GLU A 7 3.307 15.839 -5.438 1.00 1.31 H new ATOM 0 HG3 GLU A 7 1.661 15.749 -4.843 1.00 1.31 H new ATOM 94 N GLU A 8 5.102 14.384 -6.569 1.00 2.55 N ATOM 95 CA GLU A 8 6.432 14.928 -6.321 1.00 3.34 C ATOM 96 C GLU A 8 7.432 14.413 -7.353 1.00 14.45 C ATOM 97 O GLU A 8 8.427 15.074 -7.653 1.00 74.12 O ATOM 98 CB GLU A 8 6.903 14.562 -4.912 1.00 30.34 C ATOM 99 CG GLU A 8 7.123 13.072 -4.712 1.00 32.53 C ATOM 100 CD GLU A 8 8.591 12.708 -4.604 1.00 31.34 C ATOM 101 OE1 GLU A 8 9.329 12.917 -5.589 1.00 33.21 O ATOM 102 OE2 GLU A 8 9.002 12.214 -3.532 1.00 74.14 O ATOM 0 H GLU A 8 4.836 13.620 -5.948 1.00 2.55 H new ATOM 0 HA GLU A 8 6.374 16.013 -6.406 1.00 3.34 H new ATOM 0 HB2 GLU A 8 7.833 15.090 -4.700 1.00 30.34 H new ATOM 0 HB3 GLU A 8 6.166 14.912 -4.189 1.00 30.34 H new ATOM 0 HG2 GLU A 8 6.605 12.750 -3.808 1.00 32.53 H new ATOM 0 HG3 GLU A 8 6.678 12.528 -5.545 1.00 32.53 H new ATOM 109 N HIS A 9 7.160 13.229 -7.891 1.00 53.04 N ATOM 110 CA HIS A 9 8.034 12.624 -8.890 1.00 4.41 C ATOM 111 C HIS A 9 7.747 13.189 -10.278 1.00 12.54 C ATOM 112 O HIS A 9 8.377 12.798 -11.260 1.00 71.34 O ATOM 113 CB HIS A 9 7.860 11.105 -8.899 1.00 11.53 C ATOM 114 CG HIS A 9 8.967 10.379 -9.599 1.00 52.53 C ATOM 115 ND1 HIS A 9 8.841 9.862 -10.871 1.00 75.40 N ATOM 116 CD2 HIS A 9 10.226 10.088 -9.199 1.00 65.52 C ATOM 117 CE1 HIS A 9 9.974 9.281 -11.222 1.00 70.01 C ATOM 118 NE2 HIS A 9 10.832 9.405 -10.225 1.00 73.53 N ATOM 0 H HIS A 9 6.341 12.669 -7.652 1.00 53.04 H new ATOM 0 HA HIS A 9 9.064 12.862 -8.626 1.00 4.41 H new ATOM 0 HB2 HIS A 9 7.796 10.749 -7.871 1.00 11.53 H new ATOM 0 HB3 HIS A 9 6.914 10.859 -9.381 1.00 11.53 H new ATOM 0 HD2 HIS A 9 10.672 10.345 -8.249 1.00 65.52 H new ATOM 0 HE1 HIS A 9 10.166 8.788 -12.164 1.00 70.01 H new ATOM 0 HE2 HIS A 9 11.789 9.051 -10.218 1.00 73.53 H new ATOM 126 N ILE A 10 6.792 14.111 -10.350 1.00 32.52 N ATOM 127 CA ILE A 10 6.422 14.729 -11.617 1.00 32.22 C ATOM 128 C ILE A 10 7.503 15.693 -12.095 1.00 34.44 C ATOM 129 O ILE A 10 7.975 15.600 -13.228 1.00 55.21 O ATOM 130 CB ILE A 10 5.086 15.488 -11.504 1.00 64.21 C ATOM 131 CG1 ILE A 10 3.997 14.567 -10.951 1.00 13.23 C ATOM 132 CG2 ILE A 10 4.678 16.046 -12.859 1.00 62.34 C ATOM 133 CD1 ILE A 10 3.777 13.323 -11.782 1.00 61.14 C ATOM 0 H ILE A 10 6.261 14.446 -9.546 1.00 32.52 H new ATOM 0 HA ILE A 10 6.312 13.922 -12.342 1.00 32.22 H new ATOM 0 HB ILE A 10 5.215 16.322 -10.814 1.00 64.21 H new ATOM 0 HG12 ILE A 10 4.262 14.273 -9.935 1.00 13.23 H new ATOM 0 HG13 ILE A 10 3.061 15.122 -10.888 1.00 13.23 H new ATOM 0 HG21 ILE A 10 3.732 16.579 -12.763 1.00 62.34 H new ATOM 0 HG22 ILE A 10 5.447 16.731 -13.217 1.00 62.34 H new ATOM 0 HG23 ILE A 10 4.562 15.228 -13.570 1.00 62.34 H new ATOM 0 HD11 ILE A 10 2.991 12.718 -11.330 1.00 61.14 H new ATOM 0 HD12 ILE A 10 3.480 13.608 -12.792 1.00 61.14 H new ATOM 0 HD13 ILE A 10 4.701 12.746 -11.824 1.00 61.14 H new ATOM 145 N TYR A 11 7.892 16.616 -11.222 1.00 75.14 N ATOM 146 CA TYR A 11 8.917 17.598 -11.555 1.00 71.30 C ATOM 147 C TYR A 11 9.960 17.694 -10.446 1.00 33.45 C ATOM 148 O TYR A 11 9.625 17.915 -9.282 1.00 23.04 O ATOM 149 CB TYR A 11 8.282 18.969 -11.793 1.00 72.31 C ATOM 150 CG TYR A 11 7.640 19.111 -13.155 1.00 23.41 C ATOM 151 CD1 TYR A 11 8.398 19.449 -14.269 1.00 41.14 C ATOM 152 CD2 TYR A 11 6.277 18.907 -13.327 1.00 52.42 C ATOM 153 CE1 TYR A 11 7.816 19.581 -15.516 1.00 24.44 C ATOM 154 CE2 TYR A 11 5.687 19.035 -14.570 1.00 11.33 C ATOM 155 CZ TYR A 11 6.461 19.372 -15.661 1.00 13.23 C ATOM 156 OH TYR A 11 5.877 19.502 -16.900 1.00 35.12 O ATOM 0 H TYR A 11 7.513 16.705 -10.279 1.00 75.14 H new ATOM 0 HA TYR A 11 9.413 17.271 -12.469 1.00 71.30 H new ATOM 0 HB2 TYR A 11 7.530 19.150 -11.025 1.00 72.31 H new ATOM 0 HB3 TYR A 11 9.045 19.738 -11.678 1.00 72.31 H new ATOM 0 HD1 TYR A 11 9.460 19.611 -14.159 1.00 41.14 H new ATOM 0 HD2 TYR A 11 5.668 18.644 -12.475 1.00 52.42 H new ATOM 0 HE1 TYR A 11 8.419 19.846 -16.372 1.00 24.44 H new ATOM 0 HE2 TYR A 11 4.626 18.872 -14.687 1.00 11.33 H new ATOM 0 HH TYR A 11 4.917 19.320 -16.830 1.00 35.12 H new ATOM 166 N ARG A 12 11.225 17.526 -10.816 1.00 20.23 N ATOM 167 CA ARG A 12 12.318 17.593 -9.853 1.00 71.41 C ATOM 168 C ARG A 12 12.504 19.017 -9.339 1.00 53.45 C ATOM 169 O ARG A 12 12.693 19.236 -8.143 1.00 72.14 O ATOM 170 CB ARG A 12 13.617 17.095 -10.489 1.00 61.21 C ATOM 171 CG ARG A 12 13.995 17.836 -11.761 1.00 62.53 C ATOM 172 CD ARG A 12 14.619 16.901 -12.786 1.00 22.33 C ATOM 173 NE ARG A 12 15.935 16.427 -12.365 1.00 10.24 N ATOM 174 CZ ARG A 12 16.545 15.378 -12.903 1.00 63.44 C ATOM 175 NH1 ARG A 12 15.962 14.696 -13.879 1.00 53.04 N ATOM 176 NH2 ARG A 12 17.742 15.008 -12.466 1.00 44.12 N ATOM 0 H ARG A 12 11.519 17.343 -11.775 1.00 20.23 H new ATOM 0 HA ARG A 12 12.065 16.951 -9.009 1.00 71.41 H new ATOM 0 HB2 ARG A 12 14.427 17.194 -9.766 1.00 61.21 H new ATOM 0 HB3 ARG A 12 13.518 16.033 -10.713 1.00 61.21 H new ATOM 0 HG2 ARG A 12 13.108 18.305 -12.187 1.00 62.53 H new ATOM 0 HG3 ARG A 12 14.696 18.636 -11.523 1.00 62.53 H new ATOM 0 HD2 ARG A 12 13.960 16.047 -12.946 1.00 22.33 H new ATOM 0 HD3 ARG A 12 14.709 17.418 -13.741 1.00 22.33 H new ATOM 0 HE ARG A 12 16.411 16.930 -11.616 1.00 10.24 H new ATOM 0 HH11 ARG A 12 15.042 14.977 -14.219 1.00 53.04 H new ATOM 0 HH12 ARG A 12 16.433 13.890 -14.290 1.00 53.04 H new ATOM 0 HH21 ARG A 12 18.195 15.530 -11.716 1.00 44.12 H new ATOM 0 HH22 ARG A 12 18.209 14.202 -12.880 1.00 44.12 H new ATOM 190 N GLU A 13 12.449 19.982 -10.253 1.00 11.05 N ATOM 191 CA GLU A 13 12.613 21.385 -9.891 1.00 54.21 C ATOM 192 C GLU A 13 11.562 21.810 -8.870 1.00 13.15 C ATOM 193 O GLU A 13 11.852 22.570 -7.945 1.00 34.44 O ATOM 194 CB GLU A 13 12.517 22.270 -11.136 1.00 31.02 C ATOM 195 CG GLU A 13 13.710 22.141 -12.067 1.00 43.34 C ATOM 196 CD GLU A 13 13.319 22.214 -13.531 1.00 12.25 C ATOM 197 OE1 GLU A 13 12.501 21.379 -13.969 1.00 21.42 O ATOM 198 OE2 GLU A 13 13.831 23.108 -14.237 1.00 73.11 O ATOM 0 H GLU A 13 12.292 19.818 -11.247 1.00 11.05 H new ATOM 0 HA GLU A 13 13.599 21.505 -9.443 1.00 54.21 H new ATOM 0 HB2 GLU A 13 11.610 22.015 -11.684 1.00 31.02 H new ATOM 0 HB3 GLU A 13 12.420 23.310 -10.825 1.00 31.02 H new ATOM 0 HG2 GLU A 13 14.426 22.933 -11.846 1.00 43.34 H new ATOM 0 HG3 GLU A 13 14.214 21.194 -11.876 1.00 43.34 H new ATOM 205 N ILE A 14 10.341 21.315 -9.045 1.00 1.25 N ATOM 206 CA ILE A 14 9.247 21.643 -8.138 1.00 64.24 C ATOM 207 C ILE A 14 9.605 21.297 -6.697 1.00 5.21 C ATOM 208 O ILE A 14 9.026 21.839 -5.756 1.00 43.00 O ATOM 209 CB ILE A 14 7.954 20.902 -8.526 1.00 21.20 C ATOM 210 CG1 ILE A 14 7.416 21.431 -9.857 1.00 4.31 C ATOM 211 CG2 ILE A 14 6.910 21.050 -7.430 1.00 13.53 C ATOM 212 CD1 ILE A 14 7.143 22.919 -9.849 1.00 41.12 C ATOM 0 H ILE A 14 10.084 20.686 -9.806 1.00 1.25 H new ATOM 0 HA ILE A 14 9.080 22.717 -8.220 1.00 64.24 H new ATOM 0 HB ILE A 14 8.181 19.843 -8.644 1.00 21.20 H new ATOM 0 HG12 ILE A 14 8.134 21.206 -10.645 1.00 4.31 H new ATOM 0 HG13 ILE A 14 6.495 20.902 -10.104 1.00 4.31 H new ATOM 0 HG21 ILE A 14 6.002 20.521 -7.719 1.00 13.53 H new ATOM 0 HG22 ILE A 14 7.295 20.629 -6.501 1.00 13.53 H new ATOM 0 HG23 ILE A 14 6.684 22.106 -7.283 1.00 13.53 H new ATOM 0 HD11 ILE A 14 6.764 23.225 -10.824 1.00 41.12 H new ATOM 0 HD12 ILE A 14 6.402 23.149 -9.083 1.00 41.12 H new ATOM 0 HD13 ILE A 14 8.066 23.457 -9.634 1.00 41.12 H new ATOM 224 N MET A 15 10.565 20.393 -6.532 1.00 62.20 N ATOM 225 CA MET A 15 11.003 19.977 -5.205 1.00 0.15 C ATOM 226 C MET A 15 11.255 21.188 -4.311 1.00 62.34 C ATOM 227 O MET A 15 11.092 21.116 -3.094 1.00 11.11 O ATOM 228 CB MET A 15 12.273 19.130 -5.305 1.00 73.50 C ATOM 229 CG MET A 15 13.534 19.948 -5.528 1.00 11.34 C ATOM 230 SD MET A 15 14.981 18.922 -5.849 1.00 31.53 S ATOM 231 CE MET A 15 15.586 18.659 -4.183 1.00 70.25 C ATOM 0 H MET A 15 11.054 19.935 -7.301 1.00 62.20 H new ATOM 0 HA MET A 15 10.209 19.377 -4.760 1.00 0.15 H new ATOM 0 HB2 MET A 15 12.385 18.548 -4.390 1.00 73.50 H new ATOM 0 HB3 MET A 15 12.162 18.419 -6.124 1.00 73.50 H new ATOM 0 HG2 MET A 15 13.379 20.624 -6.369 1.00 11.34 H new ATOM 0 HG3 MET A 15 13.720 20.567 -4.651 1.00 11.34 H new ATOM 0 HE1 MET A 15 16.482 18.039 -4.215 1.00 70.25 H new ATOM 0 HE2 MET A 15 15.825 19.620 -3.727 1.00 70.25 H new ATOM 0 HE3 MET A 15 14.819 18.158 -3.592 1.00 70.25 H new ATOM 241 N GLU A 16 11.654 22.298 -4.925 1.00 61.40 N ATOM 242 CA GLU A 16 11.930 23.523 -4.184 1.00 34.43 C ATOM 243 C GLU A 16 10.716 23.945 -3.360 1.00 62.32 C ATOM 244 O GLU A 16 10.825 24.206 -2.161 1.00 65.14 O ATOM 245 CB GLU A 16 12.325 24.647 -5.143 1.00 1.43 C ATOM 246 CG GLU A 16 13.676 24.435 -5.806 1.00 34.01 C ATOM 247 CD GLU A 16 14.758 24.051 -4.816 1.00 11.03 C ATOM 248 OE1 GLU A 16 15.020 24.842 -3.886 1.00 34.13 O ATOM 249 OE2 GLU A 16 15.343 22.959 -4.971 1.00 60.34 O ATOM 0 H GLU A 16 11.793 22.374 -5.933 1.00 61.40 H new ATOM 0 HA GLU A 16 12.759 23.328 -3.504 1.00 34.43 H new ATOM 0 HB2 GLU A 16 11.561 24.739 -5.915 1.00 1.43 H new ATOM 0 HB3 GLU A 16 12.342 25.590 -4.597 1.00 1.43 H new ATOM 0 HG2 GLU A 16 13.587 23.655 -6.562 1.00 34.01 H new ATOM 0 HG3 GLU A 16 13.970 25.348 -6.323 1.00 34.01 H new ATOM 256 N LEU A 17 9.560 24.010 -4.012 1.00 23.04 N ATOM 257 CA LEU A 17 8.325 24.401 -3.341 1.00 61.11 C ATOM 258 C LEU A 17 7.690 23.209 -2.632 1.00 54.04 C ATOM 259 O LEU A 17 7.346 23.287 -1.452 1.00 61.12 O ATOM 260 CB LEU A 17 7.340 24.994 -4.350 1.00 33.23 C ATOM 261 CG LEU A 17 6.259 25.910 -3.774 1.00 23.24 C ATOM 262 CD1 LEU A 17 6.563 27.364 -4.099 1.00 22.01 C ATOM 263 CD2 LEU A 17 4.888 25.518 -4.305 1.00 65.43 C ATOM 0 H LEU A 17 9.452 23.797 -5.004 1.00 23.04 H new ATOM 0 HA LEU A 17 8.569 25.156 -2.594 1.00 61.11 H new ATOM 0 HB2 LEU A 17 7.906 25.556 -5.093 1.00 33.23 H new ATOM 0 HB3 LEU A 17 6.851 24.174 -4.875 1.00 33.23 H new ATOM 0 HG LEU A 17 6.252 25.795 -2.690 1.00 23.24 H new ATOM 0 HD11 LEU A 17 5.783 28.001 -3.681 1.00 22.01 H new ATOM 0 HD12 LEU A 17 7.526 27.639 -3.669 1.00 22.01 H new ATOM 0 HD13 LEU A 17 6.598 27.495 -5.180 1.00 22.01 H new ATOM 0 HD21 LEU A 17 4.132 26.181 -3.884 1.00 65.43 H new ATOM 0 HD22 LEU A 17 4.881 25.603 -5.392 1.00 65.43 H new ATOM 0 HD23 LEU A 17 4.668 24.489 -4.020 1.00 65.43 H new ATOM 275 N CYS A 18 7.538 22.107 -3.359 1.00 2.40 N ATOM 276 CA CYS A 18 6.945 20.898 -2.799 1.00 62.14 C ATOM 277 C CYS A 18 7.566 20.563 -1.447 1.00 45.23 C ATOM 278 O CYS A 18 6.882 20.098 -0.536 1.00 31.12 O ATOM 279 CB CYS A 18 7.126 19.724 -3.762 1.00 65.43 C ATOM 280 SG CYS A 18 6.599 18.130 -3.090 1.00 70.14 S ATOM 0 H CYS A 18 7.817 22.026 -4.337 1.00 2.40 H new ATOM 0 HA CYS A 18 5.880 21.079 -2.654 1.00 62.14 H new ATOM 0 HB2 CYS A 18 6.564 19.926 -4.674 1.00 65.43 H new ATOM 0 HB3 CYS A 18 8.177 19.658 -4.044 1.00 65.43 H new ATOM 0 HG CYS A 18 6.789 17.200 -3.978 1.00 70.14 H new ATOM 286 N PHE A 19 8.868 20.802 -1.325 1.00 20.43 N ATOM 287 CA PHE A 19 9.583 20.523 -0.085 1.00 11.04 C ATOM 288 C PHE A 19 8.928 21.239 1.093 1.00 2.12 C ATOM 289 O PHE A 19 8.775 20.669 2.174 1.00 42.24 O ATOM 290 CB PHE A 19 11.046 20.952 -0.207 1.00 44.12 C ATOM 291 CG PHE A 19 11.821 20.812 1.072 1.00 43.22 C ATOM 292 CD1 PHE A 19 11.731 19.656 1.829 1.00 33.42 C ATOM 293 CD2 PHE A 19 12.640 21.838 1.517 1.00 70.41 C ATOM 294 CE1 PHE A 19 12.443 19.523 3.007 1.00 52.44 C ATOM 295 CE2 PHE A 19 13.355 21.711 2.693 1.00 14.01 C ATOM 296 CZ PHE A 19 13.255 20.553 3.439 1.00 10.14 C ATOM 0 H PHE A 19 9.449 21.188 -2.069 1.00 20.43 H new ATOM 0 HA PHE A 19 9.541 19.449 0.096 1.00 11.04 H new ATOM 0 HB2 PHE A 19 11.528 20.355 -0.981 1.00 44.12 H new ATOM 0 HB3 PHE A 19 11.085 21.991 -0.534 1.00 44.12 H new ATOM 0 HD1 PHE A 19 11.097 18.848 1.495 1.00 33.42 H new ATOM 0 HD2 PHE A 19 12.720 22.746 0.939 1.00 70.41 H new ATOM 0 HE1 PHE A 19 12.364 18.616 3.588 1.00 52.44 H new ATOM 0 HE2 PHE A 19 13.991 22.517 3.028 1.00 14.01 H new ATOM 0 HZ PHE A 19 13.811 20.453 4.359 1.00 10.14 H new ATOM 306 N VAL A 20 8.544 22.493 0.876 1.00 31.02 N ATOM 307 CA VAL A 20 7.905 23.288 1.918 1.00 3.02 C ATOM 308 C VAL A 20 6.453 22.870 2.116 1.00 32.52 C ATOM 309 O VAL A 20 5.947 22.857 3.239 1.00 4.41 O ATOM 310 CB VAL A 20 7.954 24.791 1.587 1.00 43.34 C ATOM 311 CG1 VAL A 20 7.172 25.591 2.617 1.00 55.34 C ATOM 312 CG2 VAL A 20 9.395 25.273 1.508 1.00 23.55 C ATOM 0 H VAL A 20 8.664 22.980 -0.012 1.00 31.02 H new ATOM 0 HA VAL A 20 8.461 23.108 2.838 1.00 3.02 H new ATOM 0 HB VAL A 20 7.489 24.945 0.613 1.00 43.34 H new ATOM 0 HG11 VAL A 20 7.218 26.651 2.366 1.00 55.34 H new ATOM 0 HG12 VAL A 20 6.132 25.264 2.619 1.00 55.34 H new ATOM 0 HG13 VAL A 20 7.604 25.433 3.605 1.00 55.34 H new ATOM 0 HG21 VAL A 20 9.410 26.337 1.273 1.00 23.55 H new ATOM 0 HG22 VAL A 20 9.888 25.106 2.466 1.00 23.55 H new ATOM 0 HG23 VAL A 20 9.921 24.722 0.728 1.00 23.55 H new ATOM 322 N ILE A 21 5.787 22.527 1.019 1.00 72.32 N ATOM 323 CA ILE A 21 4.392 22.106 1.072 1.00 23.23 C ATOM 324 C ILE A 21 4.246 20.781 1.812 1.00 20.44 C ATOM 325 O ILE A 21 3.257 20.553 2.509 1.00 1.14 O ATOM 326 CB ILE A 21 3.793 21.961 -0.339 1.00 43.42 C ATOM 327 CG1 ILE A 21 4.064 23.222 -1.163 1.00 63.23 C ATOM 328 CG2 ILE A 21 2.299 21.688 -0.255 1.00 40.21 C ATOM 329 CD1 ILE A 21 3.561 24.490 -0.511 1.00 14.20 C ATOM 0 H ILE A 21 6.191 22.532 0.082 1.00 72.32 H new ATOM 0 HA ILE A 21 3.849 22.883 1.610 1.00 23.23 H new ATOM 0 HB ILE A 21 4.269 21.115 -0.835 1.00 43.42 H new ATOM 0 HG12 ILE A 21 5.137 23.311 -1.333 1.00 63.23 H new ATOM 0 HG13 ILE A 21 3.594 23.115 -2.141 1.00 63.23 H new ATOM 0 HG21 ILE A 21 1.890 21.588 -1.261 1.00 40.21 H new ATOM 0 HG22 ILE A 21 2.128 20.765 0.299 1.00 40.21 H new ATOM 0 HG23 ILE A 21 1.806 22.515 0.256 1.00 40.21 H new ATOM 0 HD11 ILE A 21 3.788 25.343 -1.151 1.00 14.20 H new ATOM 0 HD12 ILE A 21 2.483 24.422 -0.366 1.00 14.20 H new ATOM 0 HD13 ILE A 21 4.049 24.621 0.455 1.00 14.20 H new ATOM 341 N ARG A 22 5.238 19.910 1.657 1.00 21.04 N ATOM 342 CA ARG A 22 5.220 18.607 2.311 1.00 5.25 C ATOM 343 C ARG A 22 5.309 18.759 3.827 1.00 21.42 C ATOM 344 O ARG A 22 4.801 17.924 4.577 1.00 54.22 O ATOM 345 CB ARG A 22 6.377 17.743 1.806 1.00 4.20 C ATOM 346 CG ARG A 22 6.398 16.344 2.400 1.00 55.31 C ATOM 347 CD ARG A 22 7.742 15.667 2.185 1.00 2.33 C ATOM 348 NE ARG A 22 8.248 15.055 3.411 1.00 64.13 N ATOM 349 CZ ARG A 22 9.206 14.134 3.431 1.00 55.00 C ATOM 350 NH1 ARG A 22 9.757 13.722 2.298 1.00 25.32 N ATOM 351 NH2 ARG A 22 9.613 13.624 4.586 1.00 32.03 N ATOM 0 H ARG A 22 6.064 20.083 1.084 1.00 21.04 H new ATOM 0 HA ARG A 22 4.277 18.118 2.066 1.00 5.25 H new ATOM 0 HB2 ARG A 22 6.315 17.667 0.720 1.00 4.20 H new ATOM 0 HB3 ARG A 22 7.319 18.241 2.037 1.00 4.20 H new ATOM 0 HG2 ARG A 22 6.183 16.398 3.467 1.00 55.31 H new ATOM 0 HG3 ARG A 22 5.610 15.743 1.946 1.00 55.31 H new ATOM 0 HD2 ARG A 22 7.644 14.904 1.412 1.00 2.33 H new ATOM 0 HD3 ARG A 22 8.463 16.399 1.821 1.00 2.33 H new ATOM 0 HE ARG A 22 7.844 15.350 4.300 1.00 64.13 H new ATOM 0 HH11 ARG A 22 9.446 14.112 1.408 1.00 25.32 H new ATOM 0 HH12 ARG A 22 10.492 13.015 2.316 1.00 25.32 H new ATOM 0 HH21 ARG A 22 9.191 13.939 5.460 1.00 32.03 H new ATOM 0 HH22 ARG A 22 10.348 12.917 4.601 1.00 32.03 H new ATOM 365 N THR A 23 5.959 19.829 4.273 1.00 41.30 N ATOM 366 CA THR A 23 6.116 20.090 5.698 1.00 23.43 C ATOM 367 C THR A 23 4.785 20.464 6.339 1.00 53.22 C ATOM 368 O THR A 23 4.526 20.131 7.495 1.00 71.32 O ATOM 369 CB THR A 23 7.132 21.219 5.954 1.00 31.05 C ATOM 370 OG1 THR A 23 6.517 22.492 5.726 1.00 63.15 O ATOM 371 CG2 THR A 23 8.348 21.068 5.053 1.00 30.11 C ATOM 0 H THR A 23 6.386 20.530 3.667 1.00 41.30 H new ATOM 0 HA THR A 23 6.486 19.169 6.149 1.00 23.43 H new ATOM 0 HB THR A 23 7.459 21.155 6.992 1.00 31.05 H new ATOM 0 HG1 THR A 23 6.606 22.733 4.780 1.00 63.15 H new ATOM 0 HG21 THR A 23 9.051 21.877 5.252 1.00 30.11 H new ATOM 0 HG22 THR A 23 8.831 20.111 5.250 1.00 30.11 H new ATOM 0 HG23 THR A 23 8.035 21.108 4.010 1.00 30.11 H new ATOM 379 N MET A 24 3.943 21.158 5.580 1.00 11.52 N ATOM 380 CA MET A 24 2.636 21.576 6.075 1.00 42.54 C ATOM 381 C MET A 24 1.637 20.426 6.009 1.00 33.13 C ATOM 382 O MET A 24 1.047 20.046 7.020 1.00 22.43 O ATOM 383 CB MET A 24 2.117 22.765 5.264 1.00 53.33 C ATOM 384 CG MET A 24 3.062 23.955 5.256 1.00 3.43 C ATOM 385 SD MET A 24 2.200 25.527 5.061 1.00 34.33 S ATOM 386 CE MET A 24 1.792 25.475 3.318 1.00 72.00 C ATOM 0 H MET A 24 4.142 21.443 4.621 1.00 11.52 H new ATOM 0 HA MET A 24 2.748 21.877 7.117 1.00 42.54 H new ATOM 0 HB2 MET A 24 1.941 22.445 4.237 1.00 53.33 H new ATOM 0 HB3 MET A 24 1.155 23.078 5.669 1.00 53.33 H new ATOM 0 HG2 MET A 24 3.629 23.969 6.187 1.00 3.43 H new ATOM 0 HG3 MET A 24 3.782 23.837 4.446 1.00 3.43 H new ATOM 0 HE1 MET A 24 1.001 26.195 3.108 1.00 72.00 H new ATOM 0 HE2 MET A 24 2.675 25.724 2.730 1.00 72.00 H new ATOM 0 HE3 MET A 24 1.451 24.474 3.054 1.00 72.00 H new ATOM 396 N ALA A 25 1.451 19.876 4.814 1.00 41.34 N ATOM 397 CA ALA A 25 0.524 18.768 4.618 1.00 45.43 C ATOM 398 C ALA A 25 1.147 17.448 5.058 1.00 71.43 C ATOM 399 O ALA A 25 2.320 17.185 4.793 1.00 61.23 O ATOM 400 CB ALA A 25 0.094 18.692 3.160 1.00 21.33 C ATOM 0 H ALA A 25 1.930 20.180 3.966 1.00 41.34 H new ATOM 0 HA ALA A 25 -0.356 18.948 5.236 1.00 45.43 H new ATOM 0 HB1 ALA A 25 -0.598 17.860 3.028 1.00 21.33 H new ATOM 0 HB2 ALA A 25 -0.398 19.622 2.877 1.00 21.33 H new ATOM 0 HB3 ALA A 25 0.970 18.539 2.530 1.00 21.33 H new ATOM 406 N ARG A 26 0.354 16.621 5.731 1.00 22.43 N ATOM 407 CA ARG A 26 0.829 15.328 6.210 1.00 72.33 C ATOM 408 C ARG A 26 0.159 14.187 5.449 1.00 41.23 C ATOM 409 O ARG A 26 0.771 13.560 4.584 1.00 44.25 O ATOM 410 CB ARG A 26 0.558 15.184 7.708 1.00 35.43 C ATOM 411 CG ARG A 26 1.515 15.980 8.580 1.00 54.32 C ATOM 412 CD ARG A 26 0.767 16.919 9.514 1.00 22.33 C ATOM 413 NE ARG A 26 1.676 17.766 10.282 1.00 64.34 N ATOM 414 CZ ARG A 26 2.380 17.334 11.322 1.00 3.53 C ATOM 415 NH1 ARG A 26 2.280 16.073 11.717 1.00 25.25 N ATOM 416 NH2 ARG A 26 3.187 18.166 11.970 1.00 73.12 N ATOM 0 H ARG A 26 -0.620 16.823 5.957 1.00 22.43 H new ATOM 0 HA ARG A 26 1.904 15.277 6.036 1.00 72.33 H new ATOM 0 HB2 ARG A 26 -0.463 15.505 7.916 1.00 35.43 H new ATOM 0 HB3 ARG A 26 0.622 14.131 7.981 1.00 35.43 H new ATOM 0 HG2 ARG A 26 2.130 15.296 9.165 1.00 54.32 H new ATOM 0 HG3 ARG A 26 2.191 16.556 7.948 1.00 54.32 H new ATOM 0 HD2 ARG A 26 0.091 17.546 8.933 1.00 22.33 H new ATOM 0 HD3 ARG A 26 0.151 16.335 10.198 1.00 22.33 H new ATOM 0 HE ARG A 26 1.776 18.742 10.004 1.00 64.34 H new ATOM 0 HH11 ARG A 26 1.661 15.431 11.222 1.00 25.25 H new ATOM 0 HH12 ARG A 26 2.822 15.744 12.516 1.00 25.25 H new ATOM 0 HH21 ARG A 26 3.266 19.137 11.669 1.00 73.12 H new ATOM 0 HH22 ARG A 26 3.727 17.834 12.769 1.00 73.12 H new ATOM 430 N HIS A 27 -1.102 13.923 5.777 1.00 4.33 N ATOM 431 CA HIS A 27 -1.855 12.858 5.125 1.00 42.22 C ATOM 432 C HIS A 27 -1.888 13.064 3.613 1.00 31.43 C ATOM 433 O HIS A 27 -1.931 12.101 2.847 1.00 32.12 O ATOM 434 CB HIS A 27 -3.280 12.802 5.675 1.00 72.10 C ATOM 435 CG HIS A 27 -3.613 11.504 6.345 1.00 2.40 C ATOM 436 ND1 HIS A 27 -3.989 10.374 5.651 1.00 33.21 N ATOM 437 CD2 HIS A 27 -3.622 11.161 7.654 1.00 32.12 C ATOM 438 CE1 HIS A 27 -4.218 9.392 6.505 1.00 64.35 C ATOM 439 NE2 HIS A 27 -4.002 9.843 7.727 1.00 45.12 N ATOM 0 H HIS A 27 -1.624 14.432 6.491 1.00 4.33 H new ATOM 0 HA HIS A 27 -1.356 11.912 5.335 1.00 42.22 H new ATOM 0 HB2 HIS A 27 -3.418 13.615 6.388 1.00 72.10 H new ATOM 0 HB3 HIS A 27 -3.983 12.971 4.859 1.00 72.10 H new ATOM 0 HD2 HIS A 27 -3.376 11.804 8.486 1.00 32.12 H new ATOM 0 HE1 HIS A 27 -4.529 8.390 6.247 1.00 64.35 H new ATOM 0 HE2 HIS A 27 -4.101 9.301 8.585 1.00 45.12 H new ATOM 447 N ARG A 28 -1.869 14.324 3.192 1.00 65.23 N ATOM 448 CA ARG A 28 -1.898 14.655 1.772 1.00 15.13 C ATOM 449 C ARG A 28 -0.770 13.950 1.026 1.00 43.45 C ATOM 450 O ARG A 28 -0.877 13.682 -0.171 1.00 63.31 O ATOM 451 CB ARG A 28 -1.786 16.168 1.577 1.00 14.34 C ATOM 452 CG ARG A 28 -2.772 16.965 2.416 1.00 12.03 C ATOM 453 CD ARG A 28 -4.205 16.526 2.158 1.00 12.34 C ATOM 454 NE ARG A 28 -5.172 17.532 2.590 1.00 2.25 N ATOM 455 CZ ARG A 28 -6.478 17.440 2.367 1.00 41.35 C ATOM 456 NH1 ARG A 28 -6.971 16.394 1.719 1.00 22.51 N ATOM 457 NH2 ARG A 28 -7.294 18.397 2.791 1.00 21.30 N ATOM 0 H ARG A 28 -1.834 15.132 3.813 1.00 65.23 H new ATOM 0 HA ARG A 28 -2.849 14.312 1.364 1.00 15.13 H new ATOM 0 HB2 ARG A 28 -0.773 16.484 1.825 1.00 14.34 H new ATOM 0 HB3 ARG A 28 -1.945 16.403 0.524 1.00 14.34 H new ATOM 0 HG2 ARG A 28 -2.537 16.840 3.473 1.00 12.03 H new ATOM 0 HG3 ARG A 28 -2.669 18.026 2.190 1.00 12.03 H new ATOM 0 HD2 ARG A 28 -4.338 16.329 1.094 1.00 12.34 H new ATOM 0 HD3 ARG A 28 -4.397 15.590 2.682 1.00 12.34 H new ATOM 0 HE ARG A 28 -4.825 18.350 3.091 1.00 2.25 H new ATOM 0 HH11 ARG A 28 -6.347 15.657 1.390 1.00 22.51 H new ATOM 0 HH12 ARG A 28 -7.974 16.326 1.549 1.00 22.51 H new ATOM 0 HH21 ARG A 28 -6.918 19.204 3.289 1.00 21.30 H new ATOM 0 HH22 ARG A 28 -8.297 18.325 2.619 1.00 21.30 H new ATOM 471 N ARG A 29 0.311 13.655 1.740 1.00 21.50 N ATOM 472 CA ARG A 29 1.460 12.983 1.145 1.00 61.12 C ATOM 473 C ARG A 29 1.028 11.721 0.403 1.00 4.14 C ATOM 474 O ARG A 29 1.683 11.293 -0.547 1.00 51.15 O ATOM 475 CB ARG A 29 2.485 12.628 2.223 1.00 24.03 C ATOM 476 CG ARG A 29 2.076 11.447 3.088 1.00 15.23 C ATOM 477 CD ARG A 29 2.880 11.396 4.378 1.00 72.52 C ATOM 478 NE ARG A 29 2.412 10.340 5.273 1.00 40.53 N ATOM 479 CZ ARG A 29 2.927 10.116 6.476 1.00 24.42 C ATOM 480 NH1 ARG A 29 3.922 10.868 6.927 1.00 54.35 N ATOM 481 NH2 ARG A 29 2.448 9.136 7.232 1.00 13.22 N ATOM 0 H ARG A 29 0.415 13.871 2.731 1.00 21.50 H new ATOM 0 HA ARG A 29 1.918 13.666 0.429 1.00 61.12 H new ATOM 0 HB2 ARG A 29 3.439 12.404 1.746 1.00 24.03 H new ATOM 0 HB3 ARG A 29 2.644 13.497 2.861 1.00 24.03 H new ATOM 0 HG2 ARG A 29 1.014 11.517 3.323 1.00 15.23 H new ATOM 0 HG3 ARG A 29 2.219 10.521 2.532 1.00 15.23 H new ATOM 0 HD2 ARG A 29 3.932 11.233 4.143 1.00 72.52 H new ATOM 0 HD3 ARG A 29 2.812 12.358 4.886 1.00 72.52 H new ATOM 0 HE ARG A 29 1.648 9.743 4.956 1.00 40.53 H new ATOM 0 HH11 ARG A 29 4.294 11.622 6.349 1.00 54.35 H new ATOM 0 HH12 ARG A 29 4.315 10.693 7.852 1.00 54.35 H new ATOM 0 HH21 ARG A 29 1.684 8.554 6.889 1.00 13.22 H new ATOM 0 HH22 ARG A 29 2.844 8.965 8.156 1.00 13.22 H new ATOM 495 N ASP A 30 -0.076 11.130 0.845 1.00 14.44 N ATOM 496 CA ASP A 30 -0.596 9.918 0.224 1.00 72.12 C ATOM 497 C ASP A 30 -0.952 10.167 -1.239 1.00 32.34 C ATOM 498 O ASP A 30 -0.841 9.272 -2.076 1.00 11.21 O ATOM 499 CB ASP A 30 -1.826 9.417 0.983 1.00 61.01 C ATOM 500 CG ASP A 30 -2.559 8.319 0.237 1.00 0.23 C ATOM 501 OD1 ASP A 30 -2.025 7.193 0.163 1.00 24.33 O ATOM 502 OD2 ASP A 30 -3.668 8.586 -0.271 1.00 45.33 O ATOM 0 H ASP A 30 -0.629 11.471 1.632 1.00 14.44 H new ATOM 0 HA ASP A 30 0.182 9.156 0.266 1.00 72.12 H new ATOM 0 HB2 ASP A 30 -1.520 9.046 1.961 1.00 61.01 H new ATOM 0 HB3 ASP A 30 -2.506 10.251 1.157 1.00 61.01 H new ATOM 507 N GLY A 31 -1.382 11.389 -1.538 1.00 70.34 N ATOM 508 CA GLY A 31 -1.749 11.733 -2.900 1.00 31.14 C ATOM 509 C GLY A 31 -1.280 13.119 -3.294 1.00 12.44 C ATOM 510 O GLY A 31 -0.079 13.387 -3.341 1.00 14.34 O ATOM 0 H GLY A 31 -1.483 12.146 -0.862 1.00 70.34 H new ATOM 0 HA2 GLY A 31 -1.322 11.000 -3.584 1.00 31.14 H new ATOM 0 HA3 GLY A 31 -2.832 11.675 -3.007 1.00 31.14 H new ATOM 514 N LYS A 32 -2.229 14.004 -3.580 1.00 13.25 N ATOM 515 CA LYS A 32 -1.908 15.371 -3.972 1.00 55.24 C ATOM 516 C LYS A 32 -1.847 16.287 -2.754 1.00 42.12 C ATOM 517 O LYS A 32 -2.679 16.191 -1.851 1.00 43.24 O ATOM 518 CB LYS A 32 -2.948 15.896 -4.966 1.00 22.53 C ATOM 519 CG LYS A 32 -3.366 14.871 -6.006 1.00 71.20 C ATOM 520 CD LYS A 32 -2.164 14.289 -6.731 1.00 2.24 C ATOM 521 CE LYS A 32 -1.377 15.368 -7.460 1.00 31.43 C ATOM 522 NZ LYS A 32 -2.262 16.242 -8.278 1.00 61.15 N ATOM 0 H LYS A 32 -3.228 13.799 -3.548 1.00 13.25 H new ATOM 0 HA LYS A 32 -0.928 15.364 -4.449 1.00 55.24 H new ATOM 0 HB2 LYS A 32 -3.830 16.224 -4.417 1.00 22.53 H new ATOM 0 HB3 LYS A 32 -2.544 16.772 -5.473 1.00 22.53 H new ATOM 0 HG2 LYS A 32 -3.924 14.069 -5.523 1.00 71.20 H new ATOM 0 HG3 LYS A 32 -4.037 15.337 -6.728 1.00 71.20 H new ATOM 0 HD2 LYS A 32 -1.515 13.785 -6.015 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -2.498 13.536 -7.445 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -0.836 15.976 -6.735 1.00 31.43 H new ATOM 0 HE3 LYS A 32 -0.631 14.901 -8.104 1.00 31.43 H new ATOM 0 HZ1 LYS A 32 -1.683 16.816 -8.924 1.00 61.15 H new ATOM 0 HZ2 LYS A 32 -2.917 15.653 -8.831 1.00 61.15 H new ATOM 0 HZ3 LYS A 32 -2.806 16.869 -7.651 1.00 61.15 H new ATOM 536 N ILE A 33 -0.858 17.174 -2.736 1.00 50.54 N ATOM 537 CA ILE A 33 -0.691 18.109 -1.630 1.00 64.22 C ATOM 538 C ILE A 33 -1.382 19.436 -1.922 1.00 53.01 C ATOM 539 O ILE A 33 -1.346 19.931 -3.048 1.00 71.23 O ATOM 540 CB ILE A 33 0.798 18.372 -1.336 1.00 41.43 C ATOM 541 CG1 ILE A 33 1.626 17.117 -1.619 1.00 42.31 C ATOM 542 CG2 ILE A 33 0.982 18.821 0.106 1.00 71.02 C ATOM 543 CD1 ILE A 33 3.094 17.274 -1.287 1.00 34.02 C ATOM 0 H ILE A 33 -0.160 17.265 -3.474 1.00 50.54 H new ATOM 0 HA ILE A 33 -1.150 17.648 -0.755 1.00 64.22 H new ATOM 0 HB ILE A 33 1.147 19.170 -1.992 1.00 41.43 H new ATOM 0 HG12 ILE A 33 1.219 16.285 -1.044 1.00 42.31 H new ATOM 0 HG13 ILE A 33 1.526 16.855 -2.672 1.00 42.31 H new ATOM 0 HG21 ILE A 33 2.039 19.003 0.298 1.00 71.02 H new ATOM 0 HG22 ILE A 33 0.419 19.739 0.276 1.00 71.02 H new ATOM 0 HG23 ILE A 33 0.619 18.043 0.778 1.00 71.02 H new ATOM 0 HD11 ILE A 33 3.619 16.346 -1.513 1.00 34.02 H new ATOM 0 HD12 ILE A 33 3.517 18.084 -1.881 1.00 34.02 H new ATOM 0 HD13 ILE A 33 3.205 17.505 -0.228 1.00 34.02 H new ATOM 555 N GLN A 34 -2.010 20.007 -0.899 1.00 50.54 N ATOM 556 CA GLN A 34 -2.709 21.279 -1.047 1.00 31.55 C ATOM 557 C GLN A 34 -2.606 22.108 0.229 1.00 22.54 C ATOM 558 O GLN A 34 -2.690 21.575 1.336 1.00 2.44 O ATOM 559 CB GLN A 34 -4.179 21.039 -1.396 1.00 30.25 C ATOM 560 CG GLN A 34 -4.383 20.370 -2.746 1.00 4.35 C ATOM 561 CD GLN A 34 -4.567 18.870 -2.632 1.00 23.22 C ATOM 562 OE1 GLN A 34 -4.225 18.266 -1.615 1.00 4.13 O ATOM 563 NE2 GLN A 34 -5.110 18.259 -3.678 1.00 71.22 N ATOM 0 H GLN A 34 -2.049 19.610 0.040 1.00 50.54 H new ATOM 0 HA GLN A 34 -2.236 21.833 -1.858 1.00 31.55 H new ATOM 0 HB2 GLN A 34 -4.631 20.420 -0.621 1.00 30.25 H new ATOM 0 HB3 GLN A 34 -4.706 21.993 -1.390 1.00 30.25 H new ATOM 0 HG2 GLN A 34 -5.256 20.803 -3.234 1.00 4.35 H new ATOM 0 HG3 GLN A 34 -3.525 20.579 -3.384 1.00 4.35 H new ATOM 0 HE21 GLN A 34 -5.379 18.799 -4.501 1.00 71.22 H new ATOM 0 HE22 GLN A 34 -5.258 17.250 -3.659 1.00 71.22 H new ATOM 572 N VAL A 35 -2.423 23.414 0.067 1.00 3.12 N ATOM 573 CA VAL A 35 -2.309 24.317 1.206 1.00 5.31 C ATOM 574 C VAL A 35 -2.723 25.735 0.827 1.00 21.32 C ATOM 575 O VAL A 35 -2.586 26.147 -0.325 1.00 70.02 O ATOM 576 CB VAL A 35 -0.871 24.345 1.759 1.00 71.23 C ATOM 577 CG1 VAL A 35 -0.598 23.106 2.598 1.00 65.24 C ATOM 578 CG2 VAL A 35 0.134 24.462 0.623 1.00 52.23 C ATOM 0 H VAL A 35 -2.350 23.871 -0.842 1.00 3.12 H new ATOM 0 HA VAL A 35 -2.980 23.939 1.977 1.00 5.31 H new ATOM 0 HB VAL A 35 -0.763 25.220 2.400 1.00 71.23 H new ATOM 0 HG11 VAL A 35 0.422 23.143 2.980 1.00 65.24 H new ATOM 0 HG12 VAL A 35 -1.297 23.071 3.433 1.00 65.24 H new ATOM 0 HG13 VAL A 35 -0.723 22.215 1.983 1.00 65.24 H new ATOM 0 HG21 VAL A 35 1.144 24.480 1.032 1.00 52.23 H new ATOM 0 HG22 VAL A 35 0.028 23.608 -0.046 1.00 52.23 H new ATOM 0 HG23 VAL A 35 -0.050 25.382 0.068 1.00 52.23 H new ATOM 588 N THR A 36 -3.230 26.479 1.805 1.00 35.52 N ATOM 589 CA THR A 36 -3.666 27.850 1.575 1.00 42.20 C ATOM 590 C THR A 36 -2.490 28.818 1.637 1.00 43.03 C ATOM 591 O THR A 36 -1.448 28.509 2.215 1.00 21.34 O ATOM 592 CB THR A 36 -4.727 28.283 2.604 1.00 2.13 C ATOM 593 OG1 THR A 36 -4.329 27.877 3.919 1.00 44.44 O ATOM 594 CG2 THR A 36 -6.083 27.679 2.271 1.00 44.34 C ATOM 0 H THR A 36 -3.349 26.154 2.765 1.00 35.52 H new ATOM 0 HA THR A 36 -4.105 27.879 0.578 1.00 42.20 H new ATOM 0 HB THR A 36 -4.812 29.369 2.569 1.00 2.13 H new ATOM 0 HG1 THR A 36 -5.008 28.158 4.568 1.00 44.44 H new ATOM 0 HG21 THR A 36 -6.816 27.999 3.012 1.00 44.34 H new ATOM 0 HG22 THR A 36 -6.397 28.013 1.282 1.00 44.34 H new ATOM 0 HG23 THR A 36 -6.009 26.592 2.280 1.00 44.34 H new ATOM 602 N PHE A 37 -2.663 29.991 1.037 1.00 1.44 N ATOM 603 CA PHE A 37 -1.615 31.005 1.024 1.00 2.23 C ATOM 604 C PHE A 37 -1.213 31.390 2.445 1.00 3.30 C ATOM 605 O PHE A 37 -0.028 31.485 2.762 1.00 1.14 O ATOM 606 CB PHE A 37 -2.085 32.245 0.261 1.00 11.55 C ATOM 607 CG PHE A 37 -1.253 33.466 0.531 1.00 11.54 C ATOM 608 CD1 PHE A 37 0.127 33.419 0.419 1.00 41.43 C ATOM 609 CD2 PHE A 37 -1.851 34.661 0.898 1.00 12.33 C ATOM 610 CE1 PHE A 37 0.896 34.541 0.666 1.00 53.40 C ATOM 611 CE2 PHE A 37 -1.088 35.786 1.146 1.00 1.44 C ATOM 612 CZ PHE A 37 0.287 35.726 1.031 1.00 2.14 C ATOM 0 H PHE A 37 -3.519 30.263 0.553 1.00 1.44 H new ATOM 0 HA PHE A 37 -0.744 30.585 0.520 1.00 2.23 H new ATOM 0 HB2 PHE A 37 -2.068 32.032 -0.808 1.00 11.55 H new ATOM 0 HB3 PHE A 37 -3.121 32.455 0.527 1.00 11.55 H new ATOM 0 HD1 PHE A 37 0.608 32.495 0.135 1.00 41.43 H new ATOM 0 HD2 PHE A 37 -2.926 34.714 0.991 1.00 12.33 H new ATOM 0 HE1 PHE A 37 1.971 34.491 0.574 1.00 53.40 H new ATOM 0 HE2 PHE A 37 -1.567 36.712 1.430 1.00 1.44 H new ATOM 0 HZ PHE A 37 0.885 36.604 1.226 1.00 2.14 H new ATOM 622 N GLY A 38 -2.210 31.612 3.297 1.00 64.34 N ATOM 623 CA GLY A 38 -1.940 31.985 4.673 1.00 75.40 C ATOM 624 C GLY A 38 -0.957 31.047 5.346 1.00 54.40 C ATOM 625 O GLY A 38 -0.024 31.492 6.013 1.00 50.20 O ATOM 0 H GLY A 38 -3.199 31.540 3.059 1.00 64.34 H new ATOM 0 HA2 GLY A 38 -1.545 33.001 4.700 1.00 75.40 H new ATOM 0 HA3 GLY A 38 -2.874 31.991 5.235 1.00 75.40 H new ATOM 629 N GLU A 39 -1.168 29.746 5.172 1.00 13.40 N ATOM 630 CA GLU A 39 -0.294 28.745 5.771 1.00 61.34 C ATOM 631 C GLU A 39 1.080 28.756 5.107 1.00 63.20 C ATOM 632 O GLU A 39 2.109 28.789 5.784 1.00 51.33 O ATOM 633 CB GLU A 39 -0.919 27.353 5.651 1.00 2.21 C ATOM 634 CG GLU A 39 -2.187 27.183 6.471 1.00 62.01 C ATOM 635 CD GLU A 39 -2.002 26.238 7.642 1.00 4.24 C ATOM 636 OE1 GLU A 39 -1.150 26.528 8.509 1.00 41.13 O ATOM 637 OE2 GLU A 39 -2.708 25.209 7.693 1.00 5.50 O ATOM 0 H GLU A 39 -1.936 29.361 4.622 1.00 13.40 H new ATOM 0 HA GLU A 39 -0.171 28.991 6.826 1.00 61.34 H new ATOM 0 HB2 GLU A 39 -1.144 27.154 4.603 1.00 2.21 H new ATOM 0 HB3 GLU A 39 -0.189 26.608 5.967 1.00 2.21 H new ATOM 0 HG2 GLU A 39 -2.509 28.156 6.842 1.00 62.01 H new ATOM 0 HG3 GLU A 39 -2.983 26.808 5.828 1.00 62.01 H new ATOM 644 N LEU A 40 1.089 28.727 3.779 1.00 64.01 N ATOM 645 CA LEU A 40 2.337 28.733 3.022 1.00 15.21 C ATOM 646 C LEU A 40 3.206 29.923 3.415 1.00 23.15 C ATOM 647 O LEU A 40 4.416 29.787 3.601 1.00 32.53 O ATOM 648 CB LEU A 40 2.045 28.774 1.521 1.00 11.30 C ATOM 649 CG LEU A 40 2.493 27.554 0.716 1.00 23.35 C ATOM 650 CD1 LEU A 40 2.229 27.765 -0.766 1.00 74.01 C ATOM 651 CD2 LEU A 40 3.967 27.266 0.961 1.00 24.12 C ATOM 0 H LEU A 40 0.247 28.699 3.204 1.00 64.01 H new ATOM 0 HA LEU A 40 2.880 27.817 3.256 1.00 15.21 H new ATOM 0 HB2 LEU A 40 0.971 28.900 1.384 1.00 11.30 H new ATOM 0 HB3 LEU A 40 2.526 29.658 1.102 1.00 11.30 H new ATOM 0 HG LEU A 40 1.914 26.692 1.047 1.00 23.35 H new ATOM 0 HD11 LEU A 40 2.555 26.886 -1.322 1.00 74.01 H new ATOM 0 HD12 LEU A 40 1.162 27.922 -0.927 1.00 74.01 H new ATOM 0 HD13 LEU A 40 2.781 28.639 -1.113 1.00 74.01 H new ATOM 0 HD21 LEU A 40 4.269 26.394 0.380 1.00 24.12 H new ATOM 0 HD22 LEU A 40 4.561 28.128 0.658 1.00 24.12 H new ATOM 0 HD23 LEU A 40 4.128 27.069 2.021 1.00 24.12 H new ATOM 663 N PHE A 41 2.582 31.089 3.543 1.00 42.13 N ATOM 664 CA PHE A 41 3.299 32.303 3.916 1.00 51.14 C ATOM 665 C PHE A 41 3.820 32.209 5.347 1.00 45.05 C ATOM 666 O PHE A 41 5.008 32.413 5.601 1.00 53.14 O ATOM 667 CB PHE A 41 2.387 33.523 3.772 1.00 0.44 C ATOM 668 CG PHE A 41 3.127 34.830 3.789 1.00 44.24 C ATOM 669 CD1 PHE A 41 3.711 35.325 2.634 1.00 51.44 C ATOM 670 CD2 PHE A 41 3.240 35.563 4.959 1.00 3.11 C ATOM 671 CE1 PHE A 41 4.393 36.528 2.645 1.00 73.30 C ATOM 672 CE2 PHE A 41 3.920 36.766 4.976 1.00 4.14 C ATOM 673 CZ PHE A 41 4.498 37.248 3.818 1.00 3.53 C ATOM 0 H PHE A 41 1.581 31.219 3.394 1.00 42.13 H new ATOM 0 HA PHE A 41 4.151 32.413 3.245 1.00 51.14 H new ATOM 0 HB2 PHE A 41 1.830 33.442 2.839 1.00 0.44 H new ATOM 0 HB3 PHE A 41 1.656 33.518 4.581 1.00 0.44 H new ATOM 0 HD1 PHE A 41 3.633 34.765 1.714 1.00 51.44 H new ATOM 0 HD2 PHE A 41 2.792 35.190 5.868 1.00 3.11 H new ATOM 0 HE1 PHE A 41 4.843 36.903 1.738 1.00 73.30 H new ATOM 0 HE2 PHE A 41 3.999 37.329 5.894 1.00 4.14 H new ATOM 0 HZ PHE A 41 5.031 38.187 3.830 1.00 3.53 H new ATOM 683 N ASP A 42 2.924 31.899 6.277 1.00 5.30 N ATOM 684 CA ASP A 42 3.293 31.777 7.683 1.00 51.42 C ATOM 685 C ASP A 42 4.361 30.705 7.874 1.00 41.15 C ATOM 686 O ASP A 42 5.027 30.656 8.908 1.00 61.43 O ATOM 687 CB ASP A 42 2.062 31.445 8.528 1.00 61.13 C ATOM 688 CG ASP A 42 1.524 32.654 9.267 1.00 31.25 C ATOM 689 OD1 ASP A 42 1.648 33.778 8.737 1.00 34.12 O ATOM 690 OD2 ASP A 42 0.978 32.476 10.376 1.00 22.33 O ATOM 0 H ASP A 42 1.937 31.728 6.083 1.00 5.30 H new ATOM 0 HA ASP A 42 3.702 32.733 8.010 1.00 51.42 H new ATOM 0 HB2 ASP A 42 1.282 31.039 7.884 1.00 61.13 H new ATOM 0 HB3 ASP A 42 2.318 30.667 9.247 1.00 61.13 H new ATOM 695 N ARG A 43 4.518 29.848 6.870 1.00 52.01 N ATOM 696 CA ARG A 43 5.503 28.775 6.928 1.00 1.13 C ATOM 697 C ARG A 43 6.812 29.203 6.271 1.00 70.44 C ATOM 698 O ARG A 43 7.895 28.824 6.717 1.00 63.25 O ATOM 699 CB ARG A 43 4.962 27.519 6.243 1.00 40.11 C ATOM 700 CG ARG A 43 6.029 26.477 5.950 1.00 3.31 C ATOM 701 CD ARG A 43 6.744 26.040 7.219 1.00 34.52 C ATOM 702 NE ARG A 43 7.867 25.150 6.936 1.00 35.32 N ATOM 703 CZ ARG A 43 8.729 24.739 7.859 1.00 62.31 C ATOM 704 NH1 ARG A 43 8.598 25.135 9.117 1.00 11.13 N ATOM 705 NH2 ARG A 43 9.726 23.929 7.524 1.00 75.04 N ATOM 0 H ARG A 43 3.975 29.876 6.007 1.00 52.01 H new ATOM 0 HA ARG A 43 5.699 28.552 7.977 1.00 1.13 H new ATOM 0 HB2 ARG A 43 4.194 27.073 6.875 1.00 40.11 H new ATOM 0 HB3 ARG A 43 4.479 27.805 5.309 1.00 40.11 H new ATOM 0 HG2 ARG A 43 5.572 25.611 5.472 1.00 3.31 H new ATOM 0 HG3 ARG A 43 6.753 26.885 5.245 1.00 3.31 H new ATOM 0 HD2 ARG A 43 7.104 26.919 7.753 1.00 34.52 H new ATOM 0 HD3 ARG A 43 6.038 25.534 7.877 1.00 34.52 H new ATOM 0 HE ARG A 43 7.996 24.827 5.977 1.00 35.32 H new ATOM 0 HH11 ARG A 43 7.833 25.757 9.379 1.00 11.13 H new ATOM 0 HH12 ARG A 43 9.262 24.817 9.823 1.00 11.13 H new ATOM 0 HH21 ARG A 43 9.831 23.622 6.557 1.00 75.04 H new ATOM 0 HH22 ARG A 43 10.388 23.614 8.234 1.00 75.04 H new ATOM 719 N TYR A 44 6.704 29.993 5.208 1.00 34.24 N ATOM 720 CA TYR A 44 7.878 30.469 4.487 1.00 11.34 C ATOM 721 C TYR A 44 8.532 31.636 5.222 1.00 72.23 C ATOM 722 O TYR A 44 9.732 31.876 5.086 1.00 33.13 O ATOM 723 CB TYR A 44 7.493 30.896 3.070 1.00 65.24 C ATOM 724 CG TYR A 44 7.971 29.941 1.999 1.00 25.34 C ATOM 725 CD1 TYR A 44 9.222 30.093 1.413 1.00 51.32 C ATOM 726 CD2 TYR A 44 7.173 28.886 1.574 1.00 12.41 C ATOM 727 CE1 TYR A 44 9.663 29.224 0.434 1.00 33.41 C ATOM 728 CE2 TYR A 44 7.606 28.011 0.597 1.00 10.02 C ATOM 729 CZ TYR A 44 8.851 28.184 0.030 1.00 24.21 C ATOM 730 OH TYR A 44 9.286 27.315 -0.944 1.00 70.23 O ATOM 0 H TYR A 44 5.815 30.317 4.827 1.00 34.24 H new ATOM 0 HA TYR A 44 8.596 29.650 4.430 1.00 11.34 H new ATOM 0 HB2 TYR A 44 6.408 30.985 3.008 1.00 65.24 H new ATOM 0 HB3 TYR A 44 7.905 31.886 2.873 1.00 65.24 H new ATOM 0 HD1 TYR A 44 9.861 30.905 1.729 1.00 51.32 H new ATOM 0 HD2 TYR A 44 6.197 28.748 2.015 1.00 12.41 H new ATOM 0 HE1 TYR A 44 10.637 29.358 -0.012 1.00 33.41 H new ATOM 0 HE2 TYR A 44 6.973 27.196 0.279 1.00 10.02 H new ATOM 0 HH TYR A 44 10.263 27.244 -0.906 1.00 70.23 H new ATOM 740 N VAL A 45 7.733 32.358 6.001 1.00 3.31 N ATOM 741 CA VAL A 45 8.233 33.499 6.759 1.00 12.13 C ATOM 742 C VAL A 45 9.390 33.093 7.665 1.00 71.20 C ATOM 743 O VAL A 45 10.258 33.906 7.982 1.00 23.22 O ATOM 744 CB VAL A 45 7.122 34.133 7.617 1.00 34.44 C ATOM 745 CG1 VAL A 45 6.061 34.770 6.733 1.00 62.15 C ATOM 746 CG2 VAL A 45 6.503 33.093 8.540 1.00 25.10 C ATOM 0 H VAL A 45 6.737 32.173 6.124 1.00 3.31 H new ATOM 0 HA VAL A 45 8.584 34.232 6.033 1.00 12.13 H new ATOM 0 HB VAL A 45 7.565 34.916 8.233 1.00 34.44 H new ATOM 0 HG11 VAL A 45 5.285 35.212 7.357 1.00 62.15 H new ATOM 0 HG12 VAL A 45 6.518 35.545 6.118 1.00 62.15 H new ATOM 0 HG13 VAL A 45 5.619 34.009 6.089 1.00 62.15 H new ATOM 0 HG21 VAL A 45 5.720 33.558 9.139 1.00 25.10 H new ATOM 0 HG22 VAL A 45 6.074 32.287 7.944 1.00 25.10 H new ATOM 0 HG23 VAL A 45 7.271 32.688 9.199 1.00 25.10 H new ATOM 756 N ARG A 46 9.396 31.830 8.078 1.00 74.52 N ATOM 757 CA ARG A 46 10.446 31.315 8.948 1.00 61.10 C ATOM 758 C ARG A 46 11.607 30.760 8.129 1.00 64.34 C ATOM 759 O ARG A 46 12.501 30.105 8.665 1.00 22.45 O ATOM 760 CB ARG A 46 9.889 30.225 9.866 1.00 10.51 C ATOM 761 CG ARG A 46 9.267 30.765 11.144 1.00 65.00 C ATOM 762 CD ARG A 46 10.194 30.580 12.335 1.00 4.43 C ATOM 763 NE ARG A 46 10.502 29.173 12.576 1.00 2.35 N ATOM 764 CZ ARG A 46 11.472 28.761 13.386 1.00 53.33 C ATOM 765 NH1 ARG A 46 12.223 29.644 14.028 1.00 3.44 N ATOM 766 NH2 ARG A 46 11.691 27.463 13.554 1.00 53.43 N ATOM 0 H ARG A 46 8.685 31.144 7.824 1.00 74.52 H new ATOM 0 HA ARG A 46 10.815 32.140 9.557 1.00 61.10 H new ATOM 0 HB2 ARG A 46 9.139 29.651 9.321 1.00 10.51 H new ATOM 0 HB3 ARG A 46 10.692 29.535 10.126 1.00 10.51 H new ATOM 0 HG2 ARG A 46 9.039 31.824 11.020 1.00 65.00 H new ATOM 0 HG3 ARG A 46 8.322 30.255 11.334 1.00 65.00 H new ATOM 0 HD2 ARG A 46 11.120 31.129 12.163 1.00 4.43 H new ATOM 0 HD3 ARG A 46 9.731 31.007 13.224 1.00 4.43 H new ATOM 0 HE ARG A 46 9.942 28.468 12.097 1.00 2.35 H new ATOM 0 HH11 ARG A 46 12.057 30.642 13.901 1.00 3.44 H new ATOM 0 HH12 ARG A 46 12.967 29.325 14.649 1.00 3.44 H new ATOM 0 HH21 ARG A 46 11.115 26.781 13.061 1.00 53.43 H new ATOM 0 HH22 ARG A 46 12.436 27.148 14.176 1.00 53.43 H new ATOM 780 N ILE A 47 11.587 31.026 6.827 1.00 72.20 N ATOM 781 CA ILE A 47 12.638 30.553 5.934 1.00 11.45 C ATOM 782 C ILE A 47 13.145 31.678 5.039 1.00 45.41 C ATOM 783 O ILE A 47 14.264 32.164 5.208 1.00 61.41 O ATOM 784 CB ILE A 47 12.146 29.391 5.051 1.00 4.42 C ATOM 785 CG1 ILE A 47 11.703 28.213 5.921 1.00 53.31 C ATOM 786 CG2 ILE A 47 13.240 28.961 4.085 1.00 0.21 C ATOM 787 CD1 ILE A 47 10.746 27.273 5.222 1.00 12.11 C ATOM 0 H ILE A 47 10.854 31.567 6.367 1.00 72.20 H new ATOM 0 HA ILE A 47 13.453 30.198 6.565 1.00 11.45 H new ATOM 0 HB ILE A 47 11.289 29.732 4.471 1.00 4.42 H new ATOM 0 HG12 ILE A 47 12.584 27.654 6.237 1.00 53.31 H new ATOM 0 HG13 ILE A 47 11.228 28.597 6.824 1.00 53.31 H new ATOM 0 HG21 ILE A 47 12.878 28.139 3.468 1.00 0.21 H new ATOM 0 HG22 ILE A 47 13.513 29.801 3.447 1.00 0.21 H new ATOM 0 HG23 ILE A 47 14.114 28.634 4.648 1.00 0.21 H new ATOM 0 HD11 ILE A 47 10.474 26.462 5.898 1.00 12.11 H new ATOM 0 HD12 ILE A 47 9.849 27.818 4.930 1.00 12.11 H new ATOM 0 HD13 ILE A 47 11.225 26.860 4.334 1.00 12.11 H new ATOM 799 N SER A 48 12.314 32.090 4.087 1.00 44.03 N ATOM 800 CA SER A 48 12.679 33.157 3.162 1.00 4.35 C ATOM 801 C SER A 48 11.647 34.280 3.195 1.00 44.52 C ATOM 802 O SER A 48 11.981 35.451 3.009 1.00 63.33 O ATOM 803 CB SER A 48 12.807 32.608 1.740 1.00 23.34 C ATOM 804 OG SER A 48 13.921 33.175 1.073 1.00 50.04 O ATOM 0 H SER A 48 11.383 31.701 3.936 1.00 44.03 H new ATOM 0 HA SER A 48 13.642 33.562 3.475 1.00 4.35 H new ATOM 0 HB2 SER A 48 12.913 31.524 1.774 1.00 23.34 H new ATOM 0 HB3 SER A 48 11.896 32.822 1.181 1.00 23.34 H new ATOM 0 HG SER A 48 14.177 32.603 0.320 1.00 50.04 H new ATOM 810 N ASP A 49 10.392 33.915 3.432 1.00 4.34 N ATOM 811 CA ASP A 49 9.310 34.891 3.490 1.00 2.15 C ATOM 812 C ASP A 49 9.044 35.490 2.113 1.00 3.51 C ATOM 813 O ASP A 49 9.209 36.693 1.905 1.00 75.22 O ATOM 814 CB ASP A 49 9.649 36.001 4.487 1.00 54.12 C ATOM 815 CG ASP A 49 8.414 36.715 5.000 1.00 55.14 C ATOM 816 OD1 ASP A 49 7.566 37.103 4.169 1.00 14.54 O ATOM 817 OD2 ASP A 49 8.295 36.886 6.231 1.00 2.42 O ATOM 0 H ASP A 49 10.099 32.950 3.587 1.00 4.34 H new ATOM 0 HA ASP A 49 8.408 34.378 3.823 1.00 2.15 H new ATOM 0 HB2 ASP A 49 10.195 35.575 5.329 1.00 54.12 H new ATOM 0 HB3 ASP A 49 10.311 36.724 4.010 1.00 54.12 H new ATOM 822 N LYS A 50 8.634 34.644 1.175 1.00 53.34 N ATOM 823 CA LYS A 50 8.345 35.089 -0.184 1.00 34.13 C ATOM 824 C LYS A 50 7.781 33.946 -1.022 1.00 13.02 C ATOM 825 O LYS A 50 8.107 33.808 -2.201 1.00 14.11 O ATOM 826 CB LYS A 50 9.611 35.642 -0.842 1.00 31.52 C ATOM 827 CG LYS A 50 10.663 34.582 -1.122 1.00 12.23 C ATOM 828 CD LYS A 50 11.968 34.890 -0.407 1.00 31.32 C ATOM 829 CE LYS A 50 12.551 36.220 -0.859 1.00 21.31 C ATOM 830 NZ LYS A 50 14.026 36.273 -0.664 1.00 45.22 N ATOM 0 H LYS A 50 8.494 33.646 1.330 1.00 53.34 H new ATOM 0 HA LYS A 50 7.597 35.880 -0.129 1.00 34.13 H new ATOM 0 HB2 LYS A 50 9.340 36.130 -1.778 1.00 31.52 H new ATOM 0 HB3 LYS A 50 10.041 36.408 -0.196 1.00 31.52 H new ATOM 0 HG2 LYS A 50 10.293 33.608 -0.803 1.00 12.23 H new ATOM 0 HG3 LYS A 50 10.841 34.519 -2.196 1.00 12.23 H new ATOM 0 HD2 LYS A 50 11.798 34.913 0.669 1.00 31.32 H new ATOM 0 HD3 LYS A 50 12.686 34.093 -0.599 1.00 31.32 H new ATOM 0 HE2 LYS A 50 12.318 36.380 -1.912 1.00 21.31 H new ATOM 0 HE3 LYS A 50 12.081 37.031 -0.302 1.00 21.31 H new ATOM 0 HZ1 LYS A 50 14.386 37.195 -0.984 1.00 45.22 H new ATOM 0 HZ2 LYS A 50 14.248 36.146 0.344 1.00 45.22 H new ATOM 0 HZ3 LYS A 50 14.477 35.515 -1.216 1.00 45.22 H new ATOM 844 N VAL A 51 6.932 33.129 -0.406 1.00 13.31 N ATOM 845 CA VAL A 51 6.320 32.000 -1.096 1.00 63.02 C ATOM 846 C VAL A 51 5.634 32.448 -2.382 1.00 21.22 C ATOM 847 O VAL A 51 5.785 31.820 -3.430 1.00 41.21 O ATOM 848 CB VAL A 51 5.292 31.285 -0.200 1.00 75.24 C ATOM 849 CG1 VAL A 51 4.273 32.277 0.340 1.00 21.14 C ATOM 850 CG2 VAL A 51 4.603 30.167 -0.968 1.00 60.34 C ATOM 0 H VAL A 51 6.653 33.228 0.570 1.00 13.31 H new ATOM 0 HA VAL A 51 7.123 31.305 -1.340 1.00 63.02 H new ATOM 0 HB VAL A 51 5.818 30.844 0.646 1.00 75.24 H new ATOM 0 HG11 VAL A 51 3.555 31.754 0.971 1.00 21.14 H new ATOM 0 HG12 VAL A 51 4.784 33.040 0.928 1.00 21.14 H new ATOM 0 HG13 VAL A 51 3.749 32.749 -0.491 1.00 21.14 H new ATOM 0 HG21 VAL A 51 3.880 29.672 -0.320 1.00 60.34 H new ATOM 0 HG22 VAL A 51 4.089 30.584 -1.834 1.00 60.34 H new ATOM 0 HG23 VAL A 51 5.346 29.443 -1.301 1.00 60.34 H new ATOM 860 N VAL A 52 4.879 33.538 -2.294 1.00 42.43 N ATOM 861 CA VAL A 52 4.170 34.072 -3.451 1.00 42.30 C ATOM 862 C VAL A 52 5.128 34.343 -4.606 1.00 1.13 C ATOM 863 O VAL A 52 4.779 34.161 -5.771 1.00 42.13 O ATOM 864 CB VAL A 52 3.425 35.374 -3.101 1.00 33.21 C ATOM 865 CG1 VAL A 52 2.915 36.054 -4.363 1.00 22.44 C ATOM 866 CG2 VAL A 52 2.281 35.090 -2.139 1.00 73.23 C ATOM 0 H VAL A 52 4.742 34.069 -1.434 1.00 42.43 H new ATOM 0 HA VAL A 52 3.445 33.317 -3.754 1.00 42.30 H new ATOM 0 HB VAL A 52 4.124 36.051 -2.610 1.00 33.21 H new ATOM 0 HG11 VAL A 52 2.391 36.972 -4.096 1.00 22.44 H new ATOM 0 HG12 VAL A 52 3.757 36.293 -5.013 1.00 22.44 H new ATOM 0 HG13 VAL A 52 2.231 35.385 -4.886 1.00 22.44 H new ATOM 0 HG21 VAL A 52 1.765 36.021 -1.902 1.00 73.23 H new ATOM 0 HG22 VAL A 52 1.581 34.395 -2.602 1.00 73.23 H new ATOM 0 HG23 VAL A 52 2.676 34.651 -1.223 1.00 73.23 H new ATOM 876 N GLY A 53 6.339 34.779 -4.273 1.00 43.30 N ATOM 877 CA GLY A 53 7.330 35.068 -5.293 1.00 50.14 C ATOM 878 C GLY A 53 7.861 33.813 -5.958 1.00 13.31 C ATOM 879 O GLY A 53 8.212 33.829 -7.138 1.00 1.20 O ATOM 0 H GLY A 53 6.651 34.937 -3.315 1.00 43.30 H new ATOM 0 HA2 GLY A 53 6.890 35.718 -6.049 1.00 50.14 H new ATOM 0 HA3 GLY A 53 8.159 35.616 -4.845 1.00 50.14 H new ATOM 883 N ILE A 54 7.921 32.724 -5.199 1.00 54.12 N ATOM 884 CA ILE A 54 8.413 31.456 -5.722 1.00 70.30 C ATOM 885 C ILE A 54 7.362 30.775 -6.592 1.00 20.40 C ATOM 886 O ILE A 54 7.690 30.107 -7.574 1.00 5.12 O ATOM 887 CB ILE A 54 8.821 30.499 -4.586 1.00 44.12 C ATOM 888 CG1 ILE A 54 9.900 31.142 -3.712 1.00 20.22 C ATOM 889 CG2 ILE A 54 9.313 29.178 -5.158 1.00 20.33 C ATOM 890 CD1 ILE A 54 9.667 30.953 -2.229 1.00 45.30 C ATOM 0 H ILE A 54 7.635 32.695 -4.220 1.00 54.12 H new ATOM 0 HA ILE A 54 9.290 31.684 -6.327 1.00 70.30 H new ATOM 0 HB ILE A 54 7.947 30.301 -3.965 1.00 44.12 H new ATOM 0 HG12 ILE A 54 10.870 30.720 -3.976 1.00 20.22 H new ATOM 0 HG13 ILE A 54 9.946 32.209 -3.931 1.00 20.22 H new ATOM 0 HG21 ILE A 54 9.598 28.512 -4.343 1.00 20.33 H new ATOM 0 HG22 ILE A 54 8.518 28.716 -5.743 1.00 20.33 H new ATOM 0 HG23 ILE A 54 10.177 29.358 -5.798 1.00 20.33 H new ATOM 0 HD11 ILE A 54 10.470 31.434 -1.670 1.00 45.30 H new ATOM 0 HD12 ILE A 54 8.713 31.400 -1.951 1.00 45.30 H new ATOM 0 HD13 ILE A 54 9.650 29.888 -1.996 1.00 45.30 H new ATOM 902 N LEU A 55 6.097 30.949 -6.227 1.00 33.53 N ATOM 903 CA LEU A 55 4.995 30.352 -6.975 1.00 5.20 C ATOM 904 C LEU A 55 5.102 30.686 -8.460 1.00 21.15 C ATOM 905 O LEU A 55 4.715 29.889 -9.314 1.00 10.50 O ATOM 906 CB LEU A 55 3.655 30.843 -6.425 1.00 71.43 C ATOM 907 CG LEU A 55 3.290 30.363 -5.020 1.00 11.21 C ATOM 908 CD1 LEU A 55 1.883 30.809 -4.652 1.00 42.24 C ATOM 909 CD2 LEU A 55 3.414 28.850 -4.924 1.00 33.42 C ATOM 0 H LEU A 55 5.808 31.499 -5.418 1.00 33.53 H new ATOM 0 HA LEU A 55 5.053 29.270 -6.860 1.00 5.20 H new ATOM 0 HB2 LEU A 55 3.663 31.933 -6.424 1.00 71.43 H new ATOM 0 HB3 LEU A 55 2.867 30.530 -7.110 1.00 71.43 H new ATOM 0 HG LEU A 55 3.988 30.810 -4.312 1.00 11.21 H new ATOM 0 HD11 LEU A 55 1.641 30.458 -3.649 1.00 42.24 H new ATOM 0 HD12 LEU A 55 1.827 31.897 -4.679 1.00 42.24 H new ATOM 0 HD13 LEU A 55 1.171 30.392 -5.364 1.00 42.24 H new ATOM 0 HD21 LEU A 55 3.150 28.526 -3.917 1.00 33.42 H new ATOM 0 HD22 LEU A 55 2.741 28.383 -5.643 1.00 33.42 H new ATOM 0 HD23 LEU A 55 4.440 28.554 -5.143 1.00 33.42 H new ATOM 921 N MET A 56 5.632 31.868 -8.759 1.00 35.35 N ATOM 922 CA MET A 56 5.792 32.305 -10.140 1.00 63.04 C ATOM 923 C MET A 56 6.600 31.289 -10.942 1.00 21.04 C ATOM 924 O MET A 56 6.395 31.129 -12.145 1.00 31.01 O ATOM 925 CB MET A 56 6.478 33.672 -10.189 1.00 22.42 C ATOM 926 CG MET A 56 5.709 34.764 -9.463 1.00 23.53 C ATOM 927 SD MET A 56 6.131 36.416 -10.047 1.00 4.30 S ATOM 928 CE MET A 56 6.027 37.351 -8.523 1.00 12.22 C ATOM 0 H MET A 56 5.957 32.539 -8.063 1.00 35.35 H new ATOM 0 HA MET A 56 4.801 32.388 -10.585 1.00 63.04 H new ATOM 0 HB2 MET A 56 7.472 33.586 -9.751 1.00 22.42 H new ATOM 0 HB3 MET A 56 6.613 33.965 -11.230 1.00 22.42 H new ATOM 0 HG2 MET A 56 4.640 34.599 -9.594 1.00 23.53 H new ATOM 0 HG3 MET A 56 5.913 34.698 -8.394 1.00 23.53 H new ATOM 0 HE1 MET A 56 5.996 38.416 -8.751 1.00 12.22 H new ATOM 0 HE2 MET A 56 5.122 37.069 -7.984 1.00 12.22 H new ATOM 0 HE3 MET A 56 6.899 37.137 -7.905 1.00 12.22 H new ATOM 938 N ARG A 57 7.519 30.605 -10.267 1.00 13.41 N ATOM 939 CA ARG A 57 8.358 29.606 -10.917 1.00 1.31 C ATOM 940 C ARG A 57 7.559 28.344 -11.227 1.00 23.30 C ATOM 941 O ARG A 57 7.611 27.822 -12.341 1.00 10.45 O ATOM 942 CB ARG A 57 9.556 29.260 -10.030 1.00 55.10 C ATOM 943 CG ARG A 57 10.353 28.064 -10.524 1.00 4.25 C ATOM 944 CD ARG A 57 11.488 27.720 -9.571 1.00 42.44 C ATOM 945 NE ARG A 57 12.602 27.072 -10.259 1.00 0.52 N ATOM 946 CZ ARG A 57 13.520 27.733 -10.955 1.00 4.22 C ATOM 947 NH1 ARG A 57 13.458 29.054 -11.055 1.00 22.21 N ATOM 948 NH2 ARG A 57 14.504 27.073 -11.552 1.00 61.32 N ATOM 0 H ARG A 57 7.701 30.725 -9.271 1.00 13.41 H new ATOM 0 HA ARG A 57 8.719 30.026 -11.856 1.00 1.31 H new ATOM 0 HB2 ARG A 57 10.215 30.126 -9.970 1.00 55.10 H new ATOM 0 HB3 ARG A 57 9.203 29.058 -9.019 1.00 55.10 H new ATOM 0 HG2 ARG A 57 9.692 27.204 -10.631 1.00 4.25 H new ATOM 0 HG3 ARG A 57 10.759 28.279 -11.513 1.00 4.25 H new ATOM 0 HD2 ARG A 57 11.842 28.629 -9.085 1.00 42.44 H new ATOM 0 HD3 ARG A 57 11.115 27.063 -8.785 1.00 42.44 H new ATOM 0 HE ARG A 57 12.679 26.057 -10.202 1.00 0.52 H new ATOM 0 HH11 ARG A 57 12.704 29.565 -10.597 1.00 22.21 H new ATOM 0 HH12 ARG A 57 14.165 29.559 -11.590 1.00 22.21 H new ATOM 0 HH21 ARG A 57 14.556 26.057 -11.477 1.00 61.32 H new ATOM 0 HH22 ARG A 57 15.209 27.581 -12.086 1.00 61.32 H new ATOM 962 N ALA A 58 6.822 27.857 -10.234 1.00 52.50 N ATOM 963 CA ALA A 58 6.011 26.658 -10.401 1.00 64.50 C ATOM 964 C ALA A 58 4.885 26.891 -11.402 1.00 62.34 C ATOM 965 O ALA A 58 4.448 25.965 -12.086 1.00 33.45 O ATOM 966 CB ALA A 58 5.445 26.213 -9.061 1.00 32.51 C ATOM 0 H ALA A 58 6.770 28.275 -9.305 1.00 52.50 H new ATOM 0 HA ALA A 58 6.652 25.868 -10.793 1.00 64.50 H new ATOM 0 HB1 ALA A 58 4.841 25.316 -9.201 1.00 32.51 H new ATOM 0 HB2 ALA A 58 6.263 25.996 -8.374 1.00 32.51 H new ATOM 0 HB3 ALA A 58 4.824 27.007 -8.646 1.00 32.51 H new ATOM 972 N ARG A 59 4.420 28.133 -11.484 1.00 32.11 N ATOM 973 CA ARG A 59 3.343 28.487 -12.401 1.00 31.33 C ATOM 974 C ARG A 59 3.782 28.306 -13.851 1.00 2.42 C ATOM 975 O ARG A 59 2.962 28.051 -14.733 1.00 13.34 O ATOM 976 CB ARG A 59 2.900 29.932 -12.167 1.00 35.01 C ATOM 977 CG ARG A 59 1.843 30.411 -13.149 1.00 12.33 C ATOM 978 CD ARG A 59 2.418 31.406 -14.145 1.00 21.31 C ATOM 979 NE ARG A 59 1.377 32.211 -14.778 1.00 60.20 N ATOM 980 CZ ARG A 59 1.628 33.202 -15.626 1.00 2.23 C ATOM 981 NH1 ARG A 59 2.879 33.509 -15.940 1.00 61.24 N ATOM 982 NH2 ARG A 59 0.627 33.889 -16.161 1.00 32.02 N ATOM 0 H ARG A 59 4.772 28.911 -10.927 1.00 32.11 H new ATOM 0 HA ARG A 59 2.502 27.821 -12.209 1.00 31.33 H new ATOM 0 HB2 ARG A 59 2.510 30.024 -11.153 1.00 35.01 H new ATOM 0 HB3 ARG A 59 3.770 30.585 -12.235 1.00 35.01 H new ATOM 0 HG2 ARG A 59 1.429 29.557 -13.684 1.00 12.33 H new ATOM 0 HG3 ARG A 59 1.021 30.874 -12.603 1.00 12.33 H new ATOM 0 HD2 ARG A 59 3.124 32.062 -13.636 1.00 21.31 H new ATOM 0 HD3 ARG A 59 2.978 30.870 -14.911 1.00 21.31 H new ATOM 0 HE ARG A 59 0.404 32.001 -14.557 1.00 60.20 H new ATOM 0 HH11 ARG A 59 3.651 32.984 -15.530 1.00 61.24 H new ATOM 0 HH12 ARG A 59 3.069 34.270 -16.591 1.00 61.24 H new ATOM 0 HH21 ARG A 59 -0.337 33.656 -15.921 1.00 32.02 H new ATOM 0 HH22 ARG A 59 0.821 34.650 -16.812 1.00 32.02 H new ATOM 996 N LYS A 60 5.082 28.441 -14.091 1.00 1.11 N ATOM 997 CA LYS A 60 5.632 28.293 -15.433 1.00 22.30 C ATOM 998 C LYS A 60 5.181 26.980 -16.064 1.00 75.40 C ATOM 999 O LYS A 60 4.944 26.908 -17.270 1.00 54.14 O ATOM 1000 CB LYS A 60 7.161 28.351 -15.389 1.00 71.51 C ATOM 1001 CG LYS A 60 7.703 29.611 -14.738 1.00 45.02 C ATOM 1002 CD LYS A 60 8.121 30.639 -15.776 1.00 41.21 C ATOM 1003 CE LYS A 60 7.531 32.008 -15.474 1.00 32.04 C ATOM 1004 NZ LYS A 60 8.549 33.089 -15.590 1.00 35.11 N ATOM 0 H LYS A 60 5.775 28.653 -13.373 1.00 1.11 H new ATOM 0 HA LYS A 60 5.260 29.116 -16.044 1.00 22.30 H new ATOM 0 HB2 LYS A 60 7.534 27.482 -14.846 1.00 71.51 H new ATOM 0 HB3 LYS A 60 7.548 28.282 -16.406 1.00 71.51 H new ATOM 0 HG2 LYS A 60 6.943 30.040 -14.085 1.00 45.02 H new ATOM 0 HG3 LYS A 60 8.557 29.359 -14.110 1.00 45.02 H new ATOM 0 HD2 LYS A 60 9.208 30.708 -15.803 1.00 41.21 H new ATOM 0 HD3 LYS A 60 7.797 30.312 -16.764 1.00 41.21 H new ATOM 0 HE2 LYS A 60 6.709 32.208 -16.161 1.00 32.04 H new ATOM 0 HE3 LYS A 60 7.113 32.009 -14.467 1.00 32.04 H new ATOM 0 HZ1 LYS A 60 8.107 34.006 -15.377 1.00 35.11 H new ATOM 0 HZ2 LYS A 60 9.322 32.912 -14.917 1.00 35.11 H new ATOM 0 HZ3 LYS A 60 8.930 33.105 -16.558 1.00 35.11 H new ATOM 1018 N HIS A 61 5.062 25.943 -15.241 1.00 32.41 N ATOM 1019 CA HIS A 61 4.636 24.632 -15.719 1.00 20.12 C ATOM 1020 C HIS A 61 3.218 24.318 -15.252 1.00 72.21 C ATOM 1021 O HIS A 61 2.826 23.155 -15.163 1.00 23.02 O ATOM 1022 CB HIS A 61 5.598 23.550 -15.229 1.00 23.45 C ATOM 1023 CG HIS A 61 7.033 23.830 -15.556 1.00 14.55 C ATOM 1024 ND1 HIS A 61 7.538 23.769 -16.837 1.00 3.41 N ATOM 1025 CD2 HIS A 61 8.071 24.177 -14.759 1.00 54.52 C ATOM 1026 CE1 HIS A 61 8.826 24.065 -16.814 1.00 73.14 C ATOM 1027 NE2 HIS A 61 9.173 24.317 -15.565 1.00 45.03 N ATOM 0 H HIS A 61 5.254 25.985 -14.240 1.00 32.41 H new ATOM 0 HA HIS A 61 4.645 24.649 -16.809 1.00 20.12 H new ATOM 0 HB2 HIS A 61 5.494 23.445 -14.149 1.00 23.45 H new ATOM 0 HB3 HIS A 61 5.313 22.595 -15.671 1.00 23.45 H new ATOM 0 HD2 HIS A 61 8.038 24.317 -13.689 1.00 54.52 H new ATOM 0 HE1 HIS A 61 9.483 24.096 -17.671 1.00 73.14 H new ATOM 0 HE2 HIS A 61 10.109 24.574 -15.250 1.00 45.03 H new ATOM 1035 N GLY A 62 2.452 25.364 -14.955 1.00 23.43 N ATOM 1036 CA GLY A 62 1.087 25.178 -14.500 1.00 32.11 C ATOM 1037 C GLY A 62 0.989 24.210 -13.337 1.00 45.41 C ATOM 1038 O GLY A 62 0.432 23.120 -13.472 1.00 11.34 O ATOM 0 H GLY A 62 2.753 26.336 -15.022 1.00 23.43 H new ATOM 0 HA2 GLY A 62 0.672 26.141 -14.203 1.00 32.11 H new ATOM 0 HA3 GLY A 62 0.479 24.810 -15.327 1.00 32.11 H new ATOM 1042 N LEU A 63 1.534 24.607 -12.192 1.00 42.23 N ATOM 1043 CA LEU A 63 1.508 23.766 -11.001 1.00 11.45 C ATOM 1044 C LEU A 63 0.651 24.398 -9.908 1.00 24.45 C ATOM 1045 O LEU A 63 0.244 23.727 -8.959 1.00 1.44 O ATOM 1046 CB LEU A 63 2.929 23.537 -10.482 1.00 52.54 C ATOM 1047 CG LEU A 63 3.045 23.026 -9.046 1.00 63.22 C ATOM 1048 CD1 LEU A 63 4.241 22.097 -8.906 1.00 22.22 C ATOM 1049 CD2 LEU A 63 3.155 24.190 -8.072 1.00 52.04 C ATOM 0 H LEU A 63 1.999 25.506 -12.064 1.00 42.23 H new ATOM 0 HA LEU A 63 1.069 22.806 -11.273 1.00 11.45 H new ATOM 0 HB2 LEU A 63 3.425 22.824 -11.141 1.00 52.54 H new ATOM 0 HB3 LEU A 63 3.478 24.476 -10.558 1.00 52.54 H new ATOM 0 HG LEU A 63 2.143 22.463 -8.807 1.00 63.22 H new ATOM 0 HD11 LEU A 63 4.308 21.743 -7.877 1.00 22.22 H new ATOM 0 HD12 LEU A 63 4.121 21.246 -9.576 1.00 22.22 H new ATOM 0 HD13 LEU A 63 5.153 22.636 -9.164 1.00 22.22 H new ATOM 0 HD21 LEU A 63 3.237 23.807 -7.055 1.00 52.04 H new ATOM 0 HD22 LEU A 63 4.040 24.781 -8.309 1.00 52.04 H new ATOM 0 HD23 LEU A 63 2.267 24.817 -8.153 1.00 52.04 H new ATOM 1061 N VAL A 64 0.380 25.691 -10.049 1.00 12.24 N ATOM 1062 CA VAL A 64 -0.431 26.413 -9.075 1.00 73.43 C ATOM 1063 C VAL A 64 -1.761 26.847 -9.682 1.00 22.10 C ATOM 1064 O VAL A 64 -1.797 27.640 -10.624 1.00 25.34 O ATOM 1065 CB VAL A 64 0.306 27.654 -8.540 1.00 43.54 C ATOM 1066 CG1 VAL A 64 1.364 27.251 -7.524 1.00 52.02 C ATOM 1067 CG2 VAL A 64 0.928 28.439 -9.686 1.00 13.11 C ATOM 0 H VAL A 64 0.710 26.261 -10.828 1.00 12.24 H new ATOM 0 HA VAL A 64 -0.618 25.727 -8.249 1.00 73.43 H new ATOM 0 HB VAL A 64 -0.418 28.297 -8.039 1.00 43.54 H new ATOM 0 HG11 VAL A 64 1.874 28.142 -7.157 1.00 52.02 H new ATOM 0 HG12 VAL A 64 0.889 26.735 -6.689 1.00 52.02 H new ATOM 0 HG13 VAL A 64 2.088 26.587 -7.996 1.00 52.02 H new ATOM 0 HG21 VAL A 64 1.445 29.313 -9.290 1.00 13.11 H new ATOM 0 HG22 VAL A 64 1.639 27.806 -10.217 1.00 13.11 H new ATOM 0 HG23 VAL A 64 0.146 28.761 -10.373 1.00 13.11 H new ATOM 1077 N HIS A 65 -2.854 26.323 -9.136 1.00 24.40 N ATOM 1078 CA HIS A 65 -4.187 26.657 -9.623 1.00 12.02 C ATOM 1079 C HIS A 65 -4.683 27.958 -8.999 1.00 31.14 C ATOM 1080 O HIS A 65 -5.807 28.391 -9.252 1.00 52.34 O ATOM 1081 CB HIS A 65 -5.165 25.524 -9.313 1.00 34.44 C ATOM 1082 CG HIS A 65 -6.251 25.373 -10.334 1.00 1.05 C ATOM 1083 ND1 HIS A 65 -7.571 25.153 -10.002 1.00 30.25 N ATOM 1084 CD2 HIS A 65 -6.206 25.414 -11.686 1.00 34.13 C ATOM 1085 CE1 HIS A 65 -8.291 25.063 -11.105 1.00 72.13 C ATOM 1086 NE2 HIS A 65 -7.487 25.218 -12.141 1.00 41.44 N ATOM 0 H HIS A 65 -2.842 25.666 -8.356 1.00 24.40 H new ATOM 0 HA HIS A 65 -4.129 26.791 -10.703 1.00 12.02 H new ATOM 0 HB2 HIS A 65 -4.612 24.587 -9.242 1.00 34.44 H new ATOM 0 HB3 HIS A 65 -5.617 25.702 -8.337 1.00 34.44 H new ATOM 0 HD2 HIS A 65 -5.327 25.571 -12.294 1.00 34.13 H new ATOM 0 HE1 HIS A 65 -9.356 24.892 -11.152 1.00 72.13 H new ATOM 0 HE2 HIS A 65 -7.771 25.196 -13.120 1.00 41.44 H new ATOM 1094 N PHE A 66 -3.838 28.576 -8.180 1.00 64.15 N ATOM 1095 CA PHE A 66 -4.191 29.826 -7.518 1.00 44.44 C ATOM 1096 C PHE A 66 -4.655 30.867 -8.533 1.00 73.33 C ATOM 1097 O PHE A 66 -4.383 30.748 -9.727 1.00 42.34 O ATOM 1098 CB PHE A 66 -2.996 30.365 -6.729 1.00 45.34 C ATOM 1099 CG PHE A 66 -2.015 31.129 -7.573 1.00 72.22 C ATOM 1100 CD1 PHE A 66 -1.472 30.559 -8.714 1.00 11.52 C ATOM 1101 CD2 PHE A 66 -1.637 32.416 -7.226 1.00 72.23 C ATOM 1102 CE1 PHE A 66 -0.569 31.260 -9.491 1.00 72.44 C ATOM 1103 CE2 PHE A 66 -0.735 33.121 -8.000 1.00 50.04 C ATOM 1104 CZ PHE A 66 -0.201 32.542 -9.135 1.00 52.41 C ATOM 0 H PHE A 66 -2.904 28.231 -7.959 1.00 64.15 H new ATOM 0 HA PHE A 66 -5.012 29.624 -6.829 1.00 44.44 H new ATOM 0 HB2 PHE A 66 -3.360 31.014 -5.932 1.00 45.34 H new ATOM 0 HB3 PHE A 66 -2.481 29.532 -6.251 1.00 45.34 H new ATOM 0 HD1 PHE A 66 -1.757 29.557 -8.999 1.00 11.52 H new ATOM 0 HD2 PHE A 66 -2.052 32.874 -6.340 1.00 72.23 H new ATOM 0 HE1 PHE A 66 -0.151 30.805 -10.377 1.00 72.44 H new ATOM 0 HE2 PHE A 66 -0.448 34.123 -7.718 1.00 50.04 H new ATOM 0 HZ PHE A 66 0.503 33.091 -9.743 1.00 52.41 H new ATOM 1114 N GLU A 67 -5.359 31.885 -8.048 1.00 43.11 N ATOM 1115 CA GLU A 67 -5.862 32.945 -8.913 1.00 55.51 C ATOM 1116 C GLU A 67 -5.174 34.272 -8.605 1.00 12.11 C ATOM 1117 O GLU A 67 -4.628 34.463 -7.519 1.00 63.14 O ATOM 1118 CB GLU A 67 -7.376 33.093 -8.747 1.00 54.22 C ATOM 1119 CG GLU A 67 -7.811 33.334 -7.311 1.00 62.12 C ATOM 1120 CD GLU A 67 -8.782 34.491 -7.182 1.00 1.33 C ATOM 1121 OE1 GLU A 67 -8.423 35.616 -7.589 1.00 73.20 O ATOM 1122 OE2 GLU A 67 -9.901 34.272 -6.673 1.00 31.42 O ATOM 0 H GLU A 67 -5.594 31.998 -7.062 1.00 43.11 H new ATOM 0 HA GLU A 67 -5.641 32.672 -9.945 1.00 55.51 H new ATOM 0 HB2 GLU A 67 -7.722 33.921 -9.366 1.00 54.22 H new ATOM 0 HB3 GLU A 67 -7.863 32.192 -9.119 1.00 54.22 H new ATOM 0 HG2 GLU A 67 -8.276 32.429 -6.919 1.00 62.12 H new ATOM 0 HG3 GLU A 67 -6.932 33.532 -6.697 1.00 62.12 H new ATOM 1129 N GLY A 68 -5.205 35.187 -9.570 1.00 31.52 N ATOM 1130 CA GLY A 68 -4.581 36.483 -9.383 1.00 43.23 C ATOM 1131 C GLY A 68 -3.103 36.470 -9.723 1.00 35.51 C ATOM 1132 O GLY A 68 -2.494 35.406 -9.825 1.00 21.54 O ATOM 0 H GLY A 68 -5.651 35.053 -10.477 1.00 31.52 H new ATOM 0 HA2 GLY A 68 -5.088 37.220 -10.006 1.00 43.23 H new ATOM 0 HA3 GLY A 68 -4.710 36.799 -8.348 1.00 43.23 H new ATOM 1136 N GLU A 69 -2.528 37.654 -9.900 1.00 45.52 N ATOM 1137 CA GLU A 69 -1.113 37.773 -10.233 1.00 42.31 C ATOM 1138 C GLU A 69 -0.249 37.671 -8.980 1.00 5.04 C ATOM 1139 O GLU A 69 0.961 37.460 -9.063 1.00 0.24 O ATOM 1140 CB GLU A 69 -0.843 39.101 -10.945 1.00 33.32 C ATOM 1141 CG GLU A 69 -1.826 39.402 -12.064 1.00 62.41 C ATOM 1142 CD GLU A 69 -1.354 40.523 -12.969 1.00 64.01 C ATOM 1143 OE1 GLU A 69 -1.394 41.693 -12.535 1.00 40.13 O ATOM 1144 OE2 GLU A 69 -0.943 40.229 -14.112 1.00 13.54 O ATOM 0 H GLU A 69 -3.019 38.544 -9.819 1.00 45.52 H new ATOM 0 HA GLU A 69 -0.853 36.952 -10.901 1.00 42.31 H new ATOM 0 HB2 GLU A 69 -0.878 39.909 -10.214 1.00 33.32 H new ATOM 0 HB3 GLU A 69 0.167 39.085 -11.354 1.00 33.32 H new ATOM 0 HG2 GLU A 69 -1.981 38.501 -12.658 1.00 62.41 H new ATOM 0 HG3 GLU A 69 -2.791 39.670 -11.633 1.00 62.41 H new ATOM 1151 N MET A 70 -0.879 37.823 -7.819 1.00 62.34 N ATOM 1152 CA MET A 70 -0.168 37.747 -6.548 1.00 60.14 C ATOM 1153 C MET A 70 -1.144 37.577 -5.389 1.00 13.03 C ATOM 1154 O MET A 70 -2.357 37.702 -5.562 1.00 14.42 O ATOM 1155 CB MET A 70 0.679 39.003 -6.337 1.00 51.55 C ATOM 1156 CG MET A 70 -0.070 40.296 -6.622 1.00 64.50 C ATOM 1157 SD MET A 70 0.617 41.202 -8.021 1.00 53.14 S ATOM 1158 CE MET A 70 -0.535 42.569 -8.137 1.00 3.34 C ATOM 0 H MET A 70 -1.880 37.999 -7.733 1.00 62.34 H new ATOM 0 HA MET A 70 0.488 36.877 -6.578 1.00 60.14 H new ATOM 0 HB2 MET A 70 1.039 39.020 -5.308 1.00 51.55 H new ATOM 0 HB3 MET A 70 1.557 38.952 -6.981 1.00 51.55 H new ATOM 0 HG2 MET A 70 -1.117 40.069 -6.820 1.00 64.50 H new ATOM 0 HG3 MET A 70 -0.044 40.930 -5.735 1.00 64.50 H new ATOM 0 HE1 MET A 70 -0.243 43.222 -8.960 1.00 3.34 H new ATOM 0 HE2 MET A 70 -1.539 42.185 -8.317 1.00 3.34 H new ATOM 0 HE3 MET A 70 -0.525 43.134 -7.205 1.00 3.34 H new ATOM 1168 N LEU A 71 -0.608 37.291 -4.207 1.00 75.13 N ATOM 1169 CA LEU A 71 -1.433 37.104 -3.019 1.00 20.55 C ATOM 1170 C LEU A 71 -0.946 37.986 -1.874 1.00 14.33 C ATOM 1171 O LEU A 71 0.207 37.894 -1.453 1.00 34.35 O ATOM 1172 CB LEU A 71 -1.416 35.636 -2.588 1.00 72.34 C ATOM 1173 CG LEU A 71 -1.666 34.609 -3.694 1.00 41.41 C ATOM 1174 CD1 LEU A 71 -1.877 33.225 -3.100 1.00 52.40 C ATOM 1175 CD2 LEU A 71 -2.863 35.017 -4.540 1.00 15.22 C ATOM 0 H LEU A 71 0.394 37.184 -4.046 1.00 75.13 H new ATOM 0 HA LEU A 71 -2.454 37.392 -3.267 1.00 20.55 H new ATOM 0 HB2 LEU A 71 -0.449 35.423 -2.133 1.00 72.34 H new ATOM 0 HB3 LEU A 71 -2.170 35.497 -1.813 1.00 72.34 H new ATOM 0 HG LEU A 71 -0.787 34.575 -4.337 1.00 41.41 H new ATOM 0 HD11 LEU A 71 -2.053 32.508 -3.902 1.00 52.40 H new ATOM 0 HD12 LEU A 71 -0.990 32.931 -2.539 1.00 52.40 H new ATOM 0 HD13 LEU A 71 -2.739 33.243 -2.433 1.00 52.40 H new ATOM 0 HD21 LEU A 71 -3.026 34.275 -5.322 1.00 15.22 H new ATOM 0 HD22 LEU A 71 -3.750 35.080 -3.909 1.00 15.22 H new ATOM 0 HD23 LEU A 71 -2.672 35.988 -4.996 1.00 15.22 H new ATOM 1187 N TRP A 72 -1.833 38.840 -1.374 1.00 22.51 N ATOM 1188 CA TRP A 72 -1.494 39.738 -0.276 1.00 21.43 C ATOM 1189 C TRP A 72 -1.928 39.150 1.062 1.00 35.52 C ATOM 1190 O TRP A 72 -3.069 38.714 1.217 1.00 50.02 O ATOM 1191 CB TRP A 72 -2.152 41.103 -0.485 1.00 25.35 C ATOM 1192 CG TRP A 72 -1.435 41.961 -1.483 1.00 23.24 C ATOM 1193 CD1 TRP A 72 -1.976 42.570 -2.578 1.00 72.15 C ATOM 1194 CD2 TRP A 72 -0.045 42.303 -1.477 1.00 5.12 C ATOM 1195 NE1 TRP A 72 -1.006 43.270 -3.254 1.00 52.24 N ATOM 1196 CE2 TRP A 72 0.187 43.123 -2.598 1.00 43.24 C ATOM 1197 CE3 TRP A 72 1.026 41.998 -0.632 1.00 44.44 C ATOM 1198 CZ2 TRP A 72 1.446 43.639 -2.895 1.00 52.43 C ATOM 1199 CZ3 TRP A 72 2.275 42.511 -0.929 1.00 10.23 C ATOM 1200 CH2 TRP A 72 2.476 43.325 -2.052 1.00 23.14 C ATOM 0 H TRP A 72 -2.791 38.929 -1.711 1.00 22.51 H new ATOM 0 HA TRP A 72 -0.411 39.863 -0.262 1.00 21.43 H new ATOM 0 HB2 TRP A 72 -3.180 40.956 -0.815 1.00 25.35 H new ATOM 0 HB3 TRP A 72 -2.196 41.627 0.470 1.00 25.35 H new ATOM 0 HD1 TRP A 72 -3.014 42.510 -2.870 1.00 72.15 H new ATOM 0 HE1 TRP A 72 -1.151 43.811 -4.106 1.00 52.24 H new ATOM 0 HE3 TRP A 72 0.880 41.373 0.237 1.00 44.44 H new ATOM 0 HZ2 TRP A 72 1.603 44.265 -3.761 1.00 52.43 H new ATOM 0 HZ3 TRP A 72 3.110 42.280 -0.284 1.00 10.23 H new ATOM 0 HH2 TRP A 72 3.464 43.712 -2.256 1.00 23.14 H new ATOM 1211 N GLN A 73 -1.013 39.141 2.025 1.00 24.43 N ATOM 1212 CA GLN A 73 -1.303 38.605 3.350 1.00 30.00 C ATOM 1213 C GLN A 73 -2.530 39.280 3.953 1.00 13.32 C ATOM 1214 O GLN A 73 -2.577 40.503 4.084 1.00 31.42 O ATOM 1215 CB GLN A 73 -0.098 38.791 4.274 1.00 51.01 C ATOM 1216 CG GLN A 73 -0.082 37.832 5.454 1.00 53.34 C ATOM 1217 CD GLN A 73 -0.868 38.354 6.640 1.00 3.55 C ATOM 1218 OE1 GLN A 73 -1.927 37.826 6.980 1.00 62.03 O ATOM 1219 NE2 GLN A 73 -0.351 39.398 7.280 1.00 75.25 N ATOM 0 H GLN A 73 -0.064 39.499 1.913 1.00 24.43 H new ATOM 0 HA GLN A 73 -1.511 37.540 3.246 1.00 30.00 H new ATOM 0 HB2 GLN A 73 0.816 38.658 3.696 1.00 51.01 H new ATOM 0 HB3 GLN A 73 -0.092 39.815 4.648 1.00 51.01 H new ATOM 0 HG2 GLN A 73 -0.495 36.872 5.143 1.00 53.34 H new ATOM 0 HG3 GLN A 73 0.949 37.652 5.757 1.00 53.34 H new ATOM 0 HE21 GLN A 73 0.529 39.805 6.964 1.00 75.25 H new ATOM 0 HE22 GLN A 73 -0.835 39.792 8.087 1.00 75.25 H new ATOM 1228 N GLY A 74 -3.523 38.475 4.319 1.00 52.11 N ATOM 1229 CA GLY A 74 -4.738 39.013 4.903 1.00 3.13 C ATOM 1230 C GLY A 74 -5.757 39.415 3.856 1.00 62.24 C ATOM 1231 O GLY A 74 -6.865 39.837 4.186 1.00 40.51 O ATOM 0 H GLY A 74 -3.508 37.460 4.221 1.00 52.11 H new ATOM 0 HA2 GLY A 74 -5.178 38.269 5.567 1.00 3.13 H new ATOM 0 HA3 GLY A 74 -4.490 39.880 5.515 1.00 3.13 H new ATOM 1235 N LYS A 75 -5.382 39.285 2.588 1.00 61.25 N ATOM 1236 CA LYS A 75 -6.270 39.637 1.486 1.00 13.55 C ATOM 1237 C LYS A 75 -6.495 38.443 0.565 1.00 53.01 C ATOM 1238 O LYS A 75 -7.595 38.245 0.047 1.00 24.11 O ATOM 1239 CB LYS A 75 -5.689 40.808 0.690 1.00 70.43 C ATOM 1240 CG LYS A 75 -6.442 41.101 -0.596 1.00 41.34 C ATOM 1241 CD LYS A 75 -7.901 41.427 -0.326 1.00 74.43 C ATOM 1242 CE LYS A 75 -8.250 42.837 -0.775 1.00 53.31 C ATOM 1243 NZ LYS A 75 -9.717 43.090 -0.720 1.00 61.15 N ATOM 0 H LYS A 75 -4.468 38.938 2.298 1.00 61.25 H new ATOM 0 HA LYS A 75 -7.231 39.933 1.907 1.00 13.55 H new ATOM 0 HB2 LYS A 75 -5.694 41.700 1.316 1.00 70.43 H new ATOM 0 HB3 LYS A 75 -4.648 40.593 0.451 1.00 70.43 H new ATOM 0 HG2 LYS A 75 -5.971 41.938 -1.112 1.00 41.34 H new ATOM 0 HG3 LYS A 75 -6.378 40.239 -1.261 1.00 41.34 H new ATOM 0 HD2 LYS A 75 -8.537 40.711 -0.846 1.00 74.43 H new ATOM 0 HD3 LYS A 75 -8.107 41.322 0.739 1.00 74.43 H new ATOM 0 HE2 LYS A 75 -7.733 43.558 -0.142 1.00 53.31 H new ATOM 0 HE3 LYS A 75 -7.893 42.993 -1.793 1.00 53.31 H new ATOM 0 HZ1 LYS A 75 -9.914 44.062 -1.034 1.00 61.15 H new ATOM 0 HZ2 LYS A 75 -10.209 42.419 -1.344 1.00 61.15 H new ATOM 0 HZ3 LYS A 75 -10.054 42.966 0.256 1.00 61.15 H new ATOM 1257 N ASP A 76 -5.448 37.650 0.366 1.00 75.11 N ATOM 1258 CA ASP A 76 -5.533 36.473 -0.491 1.00 42.13 C ATOM 1259 C ASP A 76 -5.275 35.199 0.307 1.00 4.35 C ATOM 1260 O ASP A 76 -5.038 34.134 -0.263 1.00 11.30 O ATOM 1261 CB ASP A 76 -4.530 36.581 -1.641 1.00 74.35 C ATOM 1262 CG ASP A 76 -5.139 37.200 -2.884 1.00 12.40 C ATOM 1263 OD1 ASP A 76 -6.028 36.565 -3.490 1.00 2.22 O ATOM 1264 OD2 ASP A 76 -4.728 38.321 -3.250 1.00 64.11 O ATOM 0 H ASP A 76 -4.531 37.801 0.786 1.00 75.11 H new ATOM 0 HA ASP A 76 -6.542 36.425 -0.901 1.00 42.13 H new ATOM 0 HB2 ASP A 76 -3.678 37.180 -1.321 1.00 74.35 H new ATOM 0 HB3 ASP A 76 -4.150 35.588 -1.882 1.00 74.35 H new ATOM 1269 N ASP A 77 -5.321 35.317 1.630 1.00 44.02 N ATOM 1270 CA ASP A 77 -5.092 34.175 2.507 1.00 4.15 C ATOM 1271 C ASP A 77 -6.063 33.043 2.191 1.00 73.35 C ATOM 1272 O ASP A 77 -5.771 31.872 2.438 1.00 40.23 O ATOM 1273 CB ASP A 77 -5.236 34.593 3.972 1.00 71.03 C ATOM 1274 CG ASP A 77 -6.670 34.917 4.342 1.00 1.53 C ATOM 1275 OD1 ASP A 77 -7.217 35.899 3.796 1.00 22.31 O ATOM 1276 OD2 ASP A 77 -7.245 34.190 5.178 1.00 75.32 O ATOM 0 H ASP A 77 -5.515 36.192 2.118 1.00 44.02 H new ATOM 0 HA ASP A 77 -4.077 33.816 2.337 1.00 4.15 H new ATOM 0 HB2 ASP A 77 -4.870 33.791 4.613 1.00 71.03 H new ATOM 0 HB3 ASP A 77 -4.609 35.464 4.162 1.00 71.03 H new ATOM 1281 N HIS A 78 -7.221 33.399 1.643 1.00 60.12 N ATOM 1282 CA HIS A 78 -8.237 32.412 1.292 1.00 4.44 C ATOM 1283 C HIS A 78 -7.809 31.602 0.072 1.00 0.24 C ATOM 1284 O HIS A 78 -8.307 30.501 -0.160 1.00 74.30 O ATOM 1285 CB HIS A 78 -9.574 33.101 1.019 1.00 41.35 C ATOM 1286 CG HIS A 78 -9.561 33.970 -0.202 1.00 33.14 C ATOM 1287 ND1 HIS A 78 -9.172 35.293 -0.180 1.00 31.52 N ATOM 1288 CD2 HIS A 78 -9.892 33.698 -1.486 1.00 24.54 C ATOM 1289 CE1 HIS A 78 -9.265 35.797 -1.397 1.00 72.33 C ATOM 1290 NE2 HIS A 78 -9.699 34.849 -2.209 1.00 11.04 N ATOM 0 H HIS A 78 -7.479 34.363 1.432 1.00 60.12 H new ATOM 0 HA HIS A 78 -8.354 31.731 2.135 1.00 4.44 H new ATOM 0 HB2 HIS A 78 -10.348 32.342 0.907 1.00 41.35 H new ATOM 0 HB3 HIS A 78 -9.844 33.707 1.884 1.00 41.35 H new ATOM 0 HD2 HIS A 78 -10.243 32.752 -1.870 1.00 24.54 H new ATOM 0 HE1 HIS A 78 -9.027 36.812 -1.681 1.00 72.33 H new ATOM 0 HE2 HIS A 78 -9.864 34.955 -3.210 1.00 11.04 H new ATOM 1298 N VAL A 79 -6.883 32.155 -0.705 1.00 11.54 N ATOM 1299 CA VAL A 79 -6.388 31.484 -1.901 1.00 12.34 C ATOM 1300 C VAL A 79 -5.850 30.097 -1.569 1.00 72.14 C ATOM 1301 O VAL A 79 -4.829 29.960 -0.895 1.00 73.31 O ATOM 1302 CB VAL A 79 -5.278 32.304 -2.585 1.00 61.41 C ATOM 1303 CG1 VAL A 79 -4.722 31.552 -3.785 1.00 23.23 C ATOM 1304 CG2 VAL A 79 -5.803 33.670 -2.998 1.00 43.35 C ATOM 0 H VAL A 79 -6.460 33.066 -0.527 1.00 11.54 H new ATOM 0 HA VAL A 79 -7.232 31.389 -2.584 1.00 12.34 H new ATOM 0 HB VAL A 79 -4.467 32.453 -1.872 1.00 61.41 H new ATOM 0 HG11 VAL A 79 -3.939 32.146 -4.256 1.00 23.23 H new ATOM 0 HG12 VAL A 79 -4.307 30.599 -3.457 1.00 23.23 H new ATOM 0 HG13 VAL A 79 -5.522 31.371 -4.503 1.00 23.23 H new ATOM 0 HG21 VAL A 79 -5.006 34.236 -3.480 1.00 43.35 H new ATOM 0 HG22 VAL A 79 -6.632 33.546 -3.695 1.00 43.35 H new ATOM 0 HG23 VAL A 79 -6.149 34.209 -2.116 1.00 43.35 H new ATOM 1314 N VAL A 80 -6.544 29.069 -2.049 1.00 3.23 N ATOM 1315 CA VAL A 80 -6.135 27.691 -1.805 1.00 71.02 C ATOM 1316 C VAL A 80 -5.197 27.194 -2.900 1.00 10.44 C ATOM 1317 O VAL A 80 -5.606 27.015 -4.047 1.00 61.41 O ATOM 1318 CB VAL A 80 -7.352 26.751 -1.722 1.00 74.02 C ATOM 1319 CG1 VAL A 80 -6.902 25.303 -1.609 1.00 20.53 C ATOM 1320 CG2 VAL A 80 -8.242 27.135 -0.550 1.00 33.44 C ATOM 0 H VAL A 80 -7.391 29.165 -2.609 1.00 3.23 H new ATOM 0 HA VAL A 80 -5.611 27.681 -0.849 1.00 71.02 H new ATOM 0 HB VAL A 80 -7.933 26.855 -2.639 1.00 74.02 H new ATOM 0 HG11 VAL A 80 -7.776 24.654 -1.551 1.00 20.53 H new ATOM 0 HG12 VAL A 80 -6.309 25.037 -2.484 1.00 20.53 H new ATOM 0 HG13 VAL A 80 -6.298 25.179 -0.710 1.00 20.53 H new ATOM 0 HG21 VAL A 80 -9.097 26.461 -0.506 1.00 33.44 H new ATOM 0 HG22 VAL A 80 -7.674 27.062 0.377 1.00 33.44 H new ATOM 0 HG23 VAL A 80 -8.594 28.159 -0.680 1.00 33.44 H new ATOM 1330 N ILE A 81 -3.938 26.974 -2.537 1.00 1.12 N ATOM 1331 CA ILE A 81 -2.942 26.496 -3.488 1.00 1.52 C ATOM 1332 C ILE A 81 -2.872 24.973 -3.492 1.00 4.24 C ATOM 1333 O ILE A 81 -2.392 24.360 -2.537 1.00 72.34 O ATOM 1334 CB ILE A 81 -1.545 27.063 -3.172 1.00 21.20 C ATOM 1335 CG1 ILE A 81 -1.573 28.592 -3.197 1.00 13.44 C ATOM 1336 CG2 ILE A 81 -0.521 26.531 -4.163 1.00 71.54 C ATOM 1337 CD1 ILE A 81 -1.840 29.214 -1.843 1.00 65.34 C ATOM 0 H ILE A 81 -3.584 27.119 -1.592 1.00 1.12 H new ATOM 0 HA ILE A 81 -3.252 26.845 -4.473 1.00 1.52 H new ATOM 0 HB ILE A 81 -1.256 26.740 -2.172 1.00 21.20 H new ATOM 0 HG12 ILE A 81 -0.618 28.959 -3.574 1.00 13.44 H new ATOM 0 HG13 ILE A 81 -2.341 28.922 -3.897 1.00 13.44 H new ATOM 0 HG21 ILE A 81 0.461 26.941 -3.927 1.00 71.54 H new ATOM 0 HG22 ILE A 81 -0.485 25.443 -4.101 1.00 71.54 H new ATOM 0 HG23 ILE A 81 -0.804 26.827 -5.173 1.00 71.54 H new ATOM 0 HD11 ILE A 81 -1.846 30.300 -1.936 1.00 65.34 H new ATOM 0 HD12 ILE A 81 -2.808 28.877 -1.472 1.00 65.34 H new ATOM 0 HD13 ILE A 81 -1.059 28.914 -1.144 1.00 65.34 H new ATOM 1349 N THR A 82 -3.351 24.367 -4.573 1.00 73.31 N ATOM 1350 CA THR A 82 -3.343 22.915 -4.702 1.00 43.15 C ATOM 1351 C THR A 82 -2.238 22.454 -5.646 1.00 25.34 C ATOM 1352 O THR A 82 -2.294 22.698 -6.852 1.00 33.14 O ATOM 1353 CB THR A 82 -4.695 22.389 -5.219 1.00 33.03 C ATOM 1354 OG1 THR A 82 -4.581 21.006 -5.571 1.00 63.12 O ATOM 1355 CG2 THR A 82 -5.162 23.188 -6.426 1.00 3.30 C ATOM 0 H THR A 82 -3.750 24.859 -5.373 1.00 73.31 H new ATOM 0 HA THR A 82 -3.161 22.510 -3.706 1.00 43.15 H new ATOM 0 HB THR A 82 -5.431 22.501 -4.423 1.00 33.03 H new ATOM 0 HG1 THR A 82 -5.445 20.679 -5.897 1.00 63.12 H new ATOM 0 HG21 THR A 82 -6.119 22.798 -6.773 1.00 3.30 H new ATOM 0 HG22 THR A 82 -5.277 24.235 -6.147 1.00 3.30 H new ATOM 0 HG23 THR A 82 -4.425 23.105 -7.225 1.00 3.30 H new ATOM 1363 N LEU A 83 -1.233 21.785 -5.090 1.00 0.30 N ATOM 1364 CA LEU A 83 -0.114 21.288 -5.883 1.00 5.35 C ATOM 1365 C LEU A 83 -0.609 20.544 -7.118 1.00 52.45 C ATOM 1366 O LEU A 83 -1.087 19.413 -7.025 1.00 53.13 O ATOM 1367 CB LEU A 83 0.766 20.366 -5.037 1.00 30.13 C ATOM 1368 CG LEU A 83 2.267 20.420 -5.324 1.00 52.13 C ATOM 1369 CD1 LEU A 83 2.825 21.795 -4.991 1.00 71.02 C ATOM 1370 CD2 LEU A 83 2.999 19.341 -4.541 1.00 24.15 C ATOM 0 H LEU A 83 -1.170 21.575 -4.094 1.00 0.30 H new ATOM 0 HA LEU A 83 0.476 22.144 -6.210 1.00 5.35 H new ATOM 0 HB2 LEU A 83 0.608 20.610 -3.986 1.00 30.13 H new ATOM 0 HB3 LEU A 83 0.426 19.340 -5.180 1.00 30.13 H new ATOM 0 HG LEU A 83 2.421 20.236 -6.387 1.00 52.13 H new ATOM 0 HD11 LEU A 83 3.894 21.814 -5.202 1.00 71.02 H new ATOM 0 HD12 LEU A 83 2.322 22.548 -5.597 1.00 71.02 H new ATOM 0 HD13 LEU A 83 2.659 22.009 -3.935 1.00 71.02 H new ATOM 0 HD21 LEU A 83 4.066 19.395 -4.758 1.00 24.15 H new ATOM 0 HD22 LEU A 83 2.837 19.493 -3.474 1.00 24.15 H new ATOM 0 HD23 LEU A 83 2.619 18.361 -4.830 1.00 24.15 H new ATOM 1382 N LEU A 84 -0.490 21.186 -8.276 1.00 32.33 N ATOM 1383 CA LEU A 84 -0.924 20.584 -9.532 1.00 11.21 C ATOM 1384 C LEU A 84 0.232 19.863 -10.218 1.00 34.41 C ATOM 1385 O LEU A 84 0.943 20.447 -11.034 1.00 51.03 O ATOM 1386 CB LEU A 84 -1.496 21.655 -10.462 1.00 42.25 C ATOM 1387 CG LEU A 84 -2.799 22.314 -10.007 1.00 65.13 C ATOM 1388 CD1 LEU A 84 -3.317 23.265 -11.075 1.00 10.25 C ATOM 1389 CD2 LEU A 84 -3.844 21.258 -9.678 1.00 64.34 C ATOM 0 H LEU A 84 -0.097 22.122 -8.371 1.00 32.33 H new ATOM 0 HA LEU A 84 -1.701 19.854 -9.307 1.00 11.21 H new ATOM 0 HB2 LEU A 84 -0.745 22.434 -10.592 1.00 42.25 H new ATOM 0 HB3 LEU A 84 -1.662 21.206 -11.441 1.00 42.25 H new ATOM 0 HG LEU A 84 -2.597 22.890 -9.104 1.00 65.13 H new ATOM 0 HD11 LEU A 84 -4.245 23.725 -10.734 1.00 10.25 H new ATOM 0 HD12 LEU A 84 -2.575 24.041 -11.262 1.00 10.25 H new ATOM 0 HD13 LEU A 84 -3.503 22.712 -11.995 1.00 10.25 H new ATOM 0 HD21 LEU A 84 -4.765 21.745 -9.356 1.00 64.34 H new ATOM 0 HD22 LEU A 84 -4.043 20.655 -10.564 1.00 64.34 H new ATOM 0 HD23 LEU A 84 -3.474 20.617 -8.878 1.00 64.34 H new ATOM 1401 N GLU A 85 0.410 18.589 -9.882 1.00 24.04 N ATOM 1402 CA GLU A 85 1.479 17.788 -10.467 1.00 21.12 C ATOM 1403 C GLU A 85 0.951 16.435 -10.935 1.00 52.15 C ATOM 1404 O GLU A 85 0.591 16.268 -12.100 1.00 45.14 O ATOM 1405 CB GLU A 85 2.607 17.584 -9.453 1.00 62.15 C ATOM 1406 CG GLU A 85 3.519 18.790 -9.307 1.00 2.32 C ATOM 1407 CD GLU A 85 4.595 18.585 -8.258 1.00 34.43 C ATOM 1408 OE1 GLU A 85 4.256 18.577 -7.056 1.00 1.55 O ATOM 1409 OE2 GLU A 85 5.774 18.431 -8.638 1.00 52.13 O ATOM 0 H GLU A 85 -0.171 18.090 -9.209 1.00 24.04 H new ATOM 0 HA GLU A 85 1.869 18.325 -11.331 1.00 21.12 H new ATOM 0 HB2 GLU A 85 2.173 17.348 -8.482 1.00 62.15 H new ATOM 0 HB3 GLU A 85 3.203 16.722 -9.754 1.00 62.15 H new ATOM 0 HG2 GLU A 85 3.989 19.004 -10.267 1.00 2.32 H new ATOM 0 HG3 GLU A 85 2.922 19.663 -9.043 1.00 2.32 H new TER 1416 GLU A 85