USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 28 TYR OH : rot 180:sc= 0.247 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 150:sc= 0.41 (180deg=-0.0562) USER MOD Single : A 1 HIS : no HD1:sc= 0.00791 X(o=0.0079,f=-0.4) USER MOD Single : A 1 HIS N :NH3+ 163:sc= 0.0181 (180deg=-0.225) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -44:sc= 1.62 USER MOD Single : A 9 TYR OH : rot 62:sc= 0.294 USER MOD Single : A 10 GLN : amide:sc=-0.000461 X(o=-0.00046,f=-0.24) USER MOD Single : A 17 ASN : amide:sc= -0.455 K(o=-0.46,f=-4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.94 K(o=-3.9,f=-5.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.906 USER MOD Single : A 29 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0451) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.819 K(o=-0.82,f=-3.3) USER MOD Single : A 38 THR OG1 : rot -45:sc= 0.146 USER MOD Single : A 39 ASN : amide:sc= -3.44! C(o=-3.4!,f=-4.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc=-0.000393 (180deg=-0.105) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.571 K(o=-0.57,f=-2.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -10:sc= 0.233! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.38) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.572 3.791 0.395 1.00 4.14 N ATOM 2 CA HIS A 1 -1.317 3.091 0.145 1.00 43.34 C ATOM 3 C HIS A 1 -1.533 1.581 0.114 1.00 13.32 C ATOM 4 O HIS A 1 -0.654 0.811 0.497 1.00 24.24 O ATOM 5 CB HIS A 1 -0.286 3.449 1.216 1.00 61.13 C ATOM 6 CG HIS A 1 0.388 4.766 0.983 1.00 51.05 C ATOM 7 ND1 HIS A 1 -0.279 5.972 1.033 1.00 21.13 N ATOM 8 CD2 HIS A 1 1.677 5.063 0.698 1.00 64.44 C ATOM 9 CE1 HIS A 1 0.571 6.953 0.788 1.00 51.10 C ATOM 10 NE2 HIS A 1 1.765 6.428 0.581 1.00 2.04 N ATOM 0 H1 HIS A 1 -2.372 4.766 0.696 1.00 4.14 H new ATOM 0 H2 HIS A 1 -3.140 3.807 -0.476 1.00 4.14 H new ATOM 0 H3 HIS A 1 -3.100 3.300 1.144 1.00 4.14 H new ATOM 0 HA HIS A 1 -0.942 3.406 -0.829 1.00 43.34 H new ATOM 0 HB2 HIS A 1 -0.777 3.469 2.189 1.00 61.13 H new ATOM 0 HB3 HIS A 1 0.470 2.665 1.257 1.00 61.13 H new ATOM 0 HD2 HIS A 1 2.486 4.357 0.584 1.00 64.44 H new ATOM 0 HE1 HIS A 1 0.330 8.006 0.761 1.00 51.10 H new ATOM 0 HE2 HIS A 1 2.614 6.951 0.369 1.00 2.04 H new ATOM 18 N MET A 2 -2.710 1.166 -0.343 1.00 51.32 N ATOM 19 CA MET A 2 -3.041 -0.252 -0.424 1.00 14.44 C ATOM 20 C MET A 2 -3.499 -0.624 -1.830 1.00 62.13 C ATOM 21 O MET A 2 -4.281 0.097 -2.451 1.00 43.22 O ATOM 22 CB MET A 2 -4.133 -0.600 0.589 1.00 35.35 C ATOM 23 CG MET A 2 -4.553 -2.061 0.552 1.00 3.05 C ATOM 24 SD MET A 2 -5.754 -2.472 1.833 1.00 3.52 S ATOM 25 CE MET A 2 -5.329 -4.180 2.160 1.00 22.45 C ATOM 0 H MET A 2 -3.450 1.791 -0.663 1.00 51.32 H new ATOM 0 HA MET A 2 -2.143 -0.824 -0.191 1.00 14.44 H new ATOM 0 HB2 MET A 2 -3.778 -0.358 1.591 1.00 35.35 H new ATOM 0 HB3 MET A 2 -5.005 0.025 0.400 1.00 35.35 H new ATOM 0 HG2 MET A 2 -4.978 -2.288 -0.426 1.00 3.05 H new ATOM 0 HG3 MET A 2 -3.672 -2.691 0.670 1.00 3.05 H new ATOM 0 HE1 MET A 2 -5.986 -4.577 2.934 1.00 22.45 H new ATOM 0 HE2 MET A 2 -5.447 -4.765 1.248 1.00 22.45 H new ATOM 0 HE3 MET A 2 -4.294 -4.239 2.498 1.00 22.45 H new ATOM 35 N LEU A 3 -3.007 -1.753 -2.328 1.00 21.42 N ATOM 36 CA LEU A 3 -3.365 -2.222 -3.662 1.00 52.42 C ATOM 37 C LEU A 3 -4.663 -3.022 -3.628 1.00 70.30 C ATOM 38 O LEU A 3 -4.763 -4.032 -2.931 1.00 50.41 O ATOM 39 CB LEU A 3 -2.239 -3.079 -4.243 1.00 0.41 C ATOM 40 CG LEU A 3 -2.126 -3.095 -5.768 1.00 34.53 C ATOM 41 CD1 LEU A 3 -0.718 -3.478 -6.195 1.00 2.32 C ATOM 42 CD2 LEU A 3 -3.146 -4.053 -6.367 1.00 62.22 C ATOM 0 H LEU A 3 -2.359 -2.361 -1.828 1.00 21.42 H new ATOM 0 HA LEU A 3 -3.514 -1.350 -4.299 1.00 52.42 H new ATOM 0 HB2 LEU A 3 -1.293 -2.727 -3.832 1.00 0.41 H new ATOM 0 HB3 LEU A 3 -2.375 -4.104 -3.898 1.00 0.41 H new ATOM 0 HG LEU A 3 -2.336 -2.092 -6.140 1.00 34.53 H new ATOM 0 HD11 LEU A 3 -0.657 -3.484 -7.283 1.00 2.32 H new ATOM 0 HD12 LEU A 3 -0.007 -2.755 -5.796 1.00 2.32 H new ATOM 0 HD13 LEU A 3 -0.479 -4.470 -5.813 1.00 2.32 H new ATOM 0 HD21 LEU A 3 -3.052 -4.052 -7.453 1.00 62.22 H new ATOM 0 HD22 LEU A 3 -2.967 -5.059 -5.988 1.00 62.22 H new ATOM 0 HD23 LEU A 3 -4.151 -3.735 -6.090 1.00 62.22 H new ATOM 54 N ALA A 4 -5.654 -2.566 -4.387 1.00 41.00 N ATOM 55 CA ALA A 4 -6.944 -3.242 -4.447 1.00 1.01 C ATOM 56 C ALA A 4 -6.884 -4.459 -5.363 1.00 62.25 C ATOM 57 O ALA A 4 -6.000 -4.566 -6.214 1.00 53.14 O ATOM 58 CB ALA A 4 -8.024 -2.278 -4.916 1.00 64.24 C ATOM 0 H ALA A 4 -5.588 -1.731 -4.969 1.00 41.00 H new ATOM 0 HA ALA A 4 -7.192 -3.588 -3.443 1.00 1.01 H new ATOM 0 HB1 ALA A 4 -8.982 -2.796 -4.956 1.00 64.24 H new ATOM 0 HB2 ALA A 4 -8.093 -1.442 -4.220 1.00 64.24 H new ATOM 0 HB3 ALA A 4 -7.772 -1.904 -5.908 1.00 64.24 H new ATOM 64 N LYS A 5 -7.828 -5.376 -5.184 1.00 75.22 N ATOM 65 CA LYS A 5 -7.884 -6.587 -5.995 1.00 51.32 C ATOM 66 C LYS A 5 -8.301 -6.264 -7.426 1.00 72.05 C ATOM 67 O LYS A 5 -9.013 -5.290 -7.670 1.00 30.30 O ATOM 68 CB LYS A 5 -8.862 -7.591 -5.382 1.00 31.50 C ATOM 69 CG LYS A 5 -8.466 -8.054 -3.990 1.00 54.42 C ATOM 70 CD LYS A 5 -9.195 -9.328 -3.598 1.00 24.22 C ATOM 71 CE LYS A 5 -8.661 -10.532 -4.359 1.00 41.12 C ATOM 72 NZ LYS A 5 -9.171 -11.814 -3.798 1.00 41.33 N ATOM 0 H LYS A 5 -8.566 -5.304 -4.484 1.00 75.22 H new ATOM 0 HA LYS A 5 -6.887 -7.027 -6.016 1.00 51.32 H new ATOM 0 HB2 LYS A 5 -9.853 -7.139 -5.337 1.00 31.50 H new ATOM 0 HB3 LYS A 5 -8.937 -8.459 -6.037 1.00 31.50 H new ATOM 0 HG2 LYS A 5 -7.390 -8.224 -3.954 1.00 54.42 H new ATOM 0 HG3 LYS A 5 -8.689 -7.269 -3.267 1.00 54.42 H new ATOM 0 HD2 LYS A 5 -9.086 -9.496 -2.527 1.00 24.22 H new ATOM 0 HD3 LYS A 5 -10.261 -9.214 -3.796 1.00 24.22 H new ATOM 0 HE2 LYS A 5 -8.948 -10.455 -5.408 1.00 41.12 H new ATOM 0 HE3 LYS A 5 -7.572 -10.529 -4.325 1.00 41.12 H new ATOM 0 HZ1 LYS A 5 -8.784 -12.610 -4.344 1.00 41.33 H new ATOM 0 HZ2 LYS A 5 -8.876 -11.900 -2.804 1.00 41.33 H new ATOM 0 HZ3 LYS A 5 -10.209 -11.828 -3.853 1.00 41.33 H new ATOM 86 N GLU A 6 -7.854 -7.089 -8.369 1.00 11.54 N ATOM 87 CA GLU A 6 -8.183 -6.890 -9.775 1.00 45.33 C ATOM 88 C GLU A 6 -9.010 -8.055 -10.311 1.00 0.32 C ATOM 89 O GLU A 6 -8.918 -9.176 -9.812 1.00 32.45 O ATOM 90 CB GLU A 6 -6.905 -6.734 -10.603 1.00 71.21 C ATOM 91 CG GLU A 6 -6.084 -5.511 -10.231 1.00 23.31 C ATOM 92 CD GLU A 6 -6.894 -4.230 -10.272 1.00 24.02 C ATOM 93 OE1 GLU A 6 -7.016 -3.639 -11.365 1.00 24.10 O ATOM 94 OE2 GLU A 6 -7.406 -3.819 -9.210 1.00 2.44 O ATOM 0 H GLU A 6 -7.264 -7.900 -8.184 1.00 11.54 H new ATOM 0 HA GLU A 6 -8.775 -5.979 -9.858 1.00 45.33 H new ATOM 0 HB2 GLU A 6 -6.290 -7.625 -10.478 1.00 71.21 H new ATOM 0 HB3 GLU A 6 -7.171 -6.675 -11.658 1.00 71.21 H new ATOM 0 HG2 GLU A 6 -5.673 -5.645 -9.230 1.00 23.31 H new ATOM 0 HG3 GLU A 6 -5.239 -5.424 -10.914 1.00 23.31 H new ATOM 101 N ASP A 7 -9.818 -7.780 -11.329 1.00 64.11 N ATOM 102 CA ASP A 7 -10.662 -8.804 -11.933 1.00 64.35 C ATOM 103 C ASP A 7 -10.288 -9.023 -13.396 1.00 42.23 C ATOM 104 O ASP A 7 -9.728 -8.137 -14.043 1.00 73.34 O ATOM 105 CB ASP A 7 -12.136 -8.411 -11.824 1.00 45.10 C ATOM 106 CG ASP A 7 -12.476 -7.813 -10.473 1.00 74.31 C ATOM 107 OD1 ASP A 7 -11.910 -8.275 -9.460 1.00 12.42 O ATOM 108 OD2 ASP A 7 -13.309 -6.884 -10.429 1.00 42.31 O ATOM 0 H ASP A 7 -9.906 -6.857 -11.753 1.00 64.11 H new ATOM 0 HA ASP A 7 -10.502 -9.737 -11.392 1.00 64.35 H new ATOM 0 HB2 ASP A 7 -12.377 -7.692 -12.607 1.00 45.10 H new ATOM 0 HB3 ASP A 7 -12.757 -9.290 -11.996 1.00 45.10 H new ATOM 113 N TYR A 8 -10.600 -10.207 -13.911 1.00 23.14 N ATOM 114 CA TYR A 8 -10.294 -10.543 -15.296 1.00 25.31 C ATOM 115 C TYR A 8 -11.014 -9.603 -16.257 1.00 12.31 C ATOM 116 O TYR A 8 -10.536 -9.339 -17.361 1.00 15.24 O ATOM 117 CB TYR A 8 -10.688 -11.992 -15.590 1.00 41.44 C ATOM 118 CG TYR A 8 -10.164 -12.980 -14.574 1.00 21.53 C ATOM 119 CD1 TYR A 8 -10.963 -14.016 -14.106 1.00 74.13 C ATOM 120 CD2 TYR A 8 -8.868 -12.880 -14.081 1.00 54.43 C ATOM 121 CE1 TYR A 8 -10.489 -14.921 -13.177 1.00 22.30 C ATOM 122 CE2 TYR A 8 -8.385 -13.781 -13.153 1.00 21.21 C ATOM 123 CZ TYR A 8 -9.199 -14.800 -12.703 1.00 40.25 C ATOM 124 OH TYR A 8 -8.722 -15.700 -11.779 1.00 30.43 O ATOM 0 H TYR A 8 -11.065 -10.950 -13.390 1.00 23.14 H new ATOM 0 HA TYR A 8 -9.220 -10.429 -15.442 1.00 25.31 H new ATOM 0 HB2 TYR A 8 -11.775 -12.064 -15.627 1.00 41.44 H new ATOM 0 HB3 TYR A 8 -10.317 -12.267 -16.577 1.00 41.44 H new ATOM 0 HD1 TYR A 8 -11.973 -14.115 -14.476 1.00 74.13 H new ATOM 0 HD2 TYR A 8 -8.228 -12.083 -14.430 1.00 54.43 H new ATOM 0 HE1 TYR A 8 -11.125 -15.719 -12.823 1.00 22.30 H new ATOM 0 HE2 TYR A 8 -7.375 -13.689 -12.781 1.00 21.21 H new ATOM 0 HH TYR A 8 -9.403 -15.855 -11.091 1.00 30.43 H new ATOM 134 N TYR A 9 -12.167 -9.100 -15.829 1.00 4.43 N ATOM 135 CA TYR A 9 -12.956 -8.190 -16.650 1.00 44.54 C ATOM 136 C TYR A 9 -12.101 -7.029 -17.152 1.00 74.33 C ATOM 137 O TYR A 9 -12.163 -6.662 -18.325 1.00 64.23 O ATOM 138 CB TYR A 9 -14.147 -7.654 -15.855 1.00 0.52 C ATOM 139 CG TYR A 9 -15.058 -8.737 -15.325 1.00 30.55 C ATOM 140 CD1 TYR A 9 -14.949 -9.184 -14.013 1.00 65.23 C ATOM 141 CD2 TYR A 9 -16.027 -9.316 -16.135 1.00 14.34 C ATOM 142 CE1 TYR A 9 -15.778 -10.175 -13.525 1.00 12.25 C ATOM 143 CE2 TYR A 9 -16.862 -10.306 -15.654 1.00 13.31 C ATOM 144 CZ TYR A 9 -16.734 -10.732 -14.348 1.00 63.05 C ATOM 145 OH TYR A 9 -17.563 -11.719 -13.866 1.00 65.03 O ATOM 0 H TYR A 9 -12.576 -9.307 -14.918 1.00 4.43 H new ATOM 0 HA TYR A 9 -13.324 -8.746 -17.512 1.00 44.54 H new ATOM 0 HB2 TYR A 9 -13.777 -7.061 -15.019 1.00 0.52 H new ATOM 0 HB3 TYR A 9 -14.725 -6.983 -16.491 1.00 0.52 H new ATOM 0 HD1 TYR A 9 -14.203 -8.749 -13.364 1.00 65.23 H new ATOM 0 HD2 TYR A 9 -16.129 -8.986 -17.158 1.00 14.34 H new ATOM 0 HE1 TYR A 9 -15.678 -10.512 -12.504 1.00 12.25 H new ATOM 0 HE2 TYR A 9 -17.611 -10.744 -16.297 1.00 13.31 H new ATOM 0 HH TYR A 9 -18.095 -11.365 -13.123 1.00 65.03 H new ATOM 155 N GLN A 10 -11.305 -6.458 -16.255 1.00 14.55 N ATOM 156 CA GLN A 10 -10.438 -5.339 -16.605 1.00 54.15 C ATOM 157 C GLN A 10 -9.249 -5.812 -17.434 1.00 45.41 C ATOM 158 O GLN A 10 -8.830 -5.139 -18.377 1.00 10.23 O ATOM 159 CB GLN A 10 -9.946 -4.632 -15.342 1.00 12.34 C ATOM 160 CG GLN A 10 -11.068 -4.194 -14.414 1.00 3.44 C ATOM 161 CD GLN A 10 -11.778 -2.947 -14.904 1.00 61.33 C ATOM 162 OE1 GLN A 10 -11.141 -1.953 -15.254 1.00 72.11 O ATOM 163 NE2 GLN A 10 -13.105 -2.994 -14.933 1.00 64.20 N ATOM 0 H GLN A 10 -11.242 -6.751 -15.280 1.00 14.55 H new ATOM 0 HA GLN A 10 -11.018 -4.636 -17.202 1.00 54.15 H new ATOM 0 HB2 GLN A 10 -9.277 -5.299 -14.799 1.00 12.34 H new ATOM 0 HB3 GLN A 10 -9.361 -3.758 -15.629 1.00 12.34 H new ATOM 0 HG2 GLN A 10 -11.791 -5.004 -14.316 1.00 3.44 H new ATOM 0 HG3 GLN A 10 -10.661 -4.009 -13.420 1.00 3.44 H new ATOM 0 HE21 GLN A 10 -13.592 -3.839 -14.634 1.00 64.20 H new ATOM 0 HE22 GLN A 10 -13.637 -2.185 -15.255 1.00 64.20 H new ATOM 172 N ILE A 11 -8.708 -6.972 -17.076 1.00 51.53 N ATOM 173 CA ILE A 11 -7.567 -7.534 -17.788 1.00 1.24 C ATOM 174 C ILE A 11 -7.904 -7.790 -19.252 1.00 71.25 C ATOM 175 O ILE A 11 -7.017 -7.846 -20.105 1.00 24.42 O ATOM 176 CB ILE A 11 -7.095 -8.851 -17.143 1.00 41.51 C ATOM 177 CG1 ILE A 11 -6.714 -8.619 -15.679 1.00 64.34 C ATOM 178 CG2 ILE A 11 -5.919 -9.428 -17.917 1.00 54.35 C ATOM 179 CD1 ILE A 11 -6.560 -9.898 -14.886 1.00 4.10 C ATOM 0 H ILE A 11 -9.041 -7.541 -16.298 1.00 51.53 H new ATOM 0 HA ILE A 11 -6.764 -6.800 -17.726 1.00 1.24 H new ATOM 0 HB ILE A 11 -7.914 -9.569 -17.176 1.00 41.51 H new ATOM 0 HG12 ILE A 11 -5.778 -8.061 -15.639 1.00 64.34 H new ATOM 0 HG13 ILE A 11 -7.476 -7.998 -15.208 1.00 64.34 H new ATOM 0 HG21 ILE A 11 -5.597 -10.358 -17.449 1.00 54.35 H new ATOM 0 HG22 ILE A 11 -6.222 -9.625 -18.945 1.00 54.35 H new ATOM 0 HG23 ILE A 11 -5.095 -8.715 -17.912 1.00 54.35 H new ATOM 0 HD11 ILE A 11 -6.289 -9.658 -13.858 1.00 4.10 H new ATOM 0 HD12 ILE A 11 -7.501 -10.447 -14.895 1.00 4.10 H new ATOM 0 HD13 ILE A 11 -5.778 -10.511 -15.333 1.00 4.10 H new ATOM 191 N LEU A 12 -9.192 -7.943 -19.539 1.00 72.41 N ATOM 192 CA LEU A 12 -9.648 -8.192 -20.902 1.00 53.13 C ATOM 193 C LEU A 12 -10.325 -6.955 -21.484 1.00 34.00 C ATOM 194 O LEU A 12 -10.523 -6.854 -22.694 1.00 62.01 O ATOM 195 CB LEU A 12 -10.615 -9.377 -20.930 1.00 12.15 C ATOM 196 CG LEU A 12 -9.986 -10.752 -21.156 1.00 44.21 C ATOM 197 CD1 LEU A 12 -11.006 -11.853 -20.911 1.00 44.12 C ATOM 198 CD2 LEU A 12 -9.417 -10.853 -22.564 1.00 1.50 C ATOM 0 H LEU A 12 -9.939 -7.899 -18.846 1.00 72.41 H new ATOM 0 HA LEU A 12 -8.776 -8.428 -21.512 1.00 53.13 H new ATOM 0 HB2 LEU A 12 -11.158 -9.399 -19.985 1.00 12.15 H new ATOM 0 HB3 LEU A 12 -11.350 -9.202 -21.716 1.00 12.15 H new ATOM 0 HG LEU A 12 -9.169 -10.878 -20.445 1.00 44.21 H new ATOM 0 HD11 LEU A 12 -10.540 -12.824 -21.077 1.00 44.12 H new ATOM 0 HD12 LEU A 12 -11.366 -11.794 -19.884 1.00 44.12 H new ATOM 0 HD13 LEU A 12 -11.845 -11.731 -21.597 1.00 44.12 H new ATOM 0 HD21 LEU A 12 -8.973 -11.838 -22.707 1.00 1.50 H new ATOM 0 HD22 LEU A 12 -10.216 -10.706 -23.291 1.00 1.50 H new ATOM 0 HD23 LEU A 12 -8.654 -10.088 -22.704 1.00 1.50 H new ATOM 210 N GLY A 13 -10.677 -6.014 -20.613 1.00 35.33 N ATOM 211 CA GLY A 13 -11.327 -4.795 -21.059 1.00 24.41 C ATOM 212 C GLY A 13 -12.799 -4.998 -21.357 1.00 61.41 C ATOM 213 O GLY A 13 -13.390 -4.255 -22.140 1.00 45.53 O ATOM 0 H GLY A 13 -10.524 -6.074 -19.606 1.00 35.33 H new ATOM 0 HA2 GLY A 13 -11.217 -4.027 -20.293 1.00 24.41 H new ATOM 0 HA3 GLY A 13 -10.826 -4.426 -21.954 1.00 24.41 H new ATOM 217 N VAL A 14 -13.394 -6.010 -20.732 1.00 43.24 N ATOM 218 CA VAL A 14 -14.806 -6.309 -20.935 1.00 72.13 C ATOM 219 C VAL A 14 -15.617 -6.013 -19.679 1.00 1.53 C ATOM 220 O VAL A 14 -15.111 -6.062 -18.557 1.00 42.55 O ATOM 221 CB VAL A 14 -15.016 -7.782 -21.333 1.00 32.43 C ATOM 222 CG1 VAL A 14 -14.262 -8.103 -22.614 1.00 54.44 C ATOM 223 CG2 VAL A 14 -14.582 -8.705 -20.204 1.00 63.21 C ATOM 0 H VAL A 14 -12.920 -6.636 -20.081 1.00 43.24 H new ATOM 0 HA VAL A 14 -15.152 -5.668 -21.746 1.00 72.13 H new ATOM 0 HB VAL A 14 -16.078 -7.943 -21.516 1.00 32.43 H new ATOM 0 HG11 VAL A 14 -14.423 -9.148 -22.879 1.00 54.44 H new ATOM 0 HG12 VAL A 14 -14.625 -7.465 -23.420 1.00 54.44 H new ATOM 0 HG13 VAL A 14 -13.197 -7.927 -22.463 1.00 54.44 H new ATOM 0 HG21 VAL A 14 -14.737 -9.742 -20.502 1.00 63.21 H new ATOM 0 HG22 VAL A 14 -13.526 -8.544 -19.988 1.00 63.21 H new ATOM 0 HG23 VAL A 14 -15.172 -8.492 -19.312 1.00 63.21 H new ATOM 233 N PRO A 15 -16.907 -5.697 -19.868 1.00 21.44 N ATOM 234 CA PRO A 15 -17.816 -5.388 -18.760 1.00 53.54 C ATOM 235 C PRO A 15 -18.138 -6.614 -17.914 1.00 74.40 C ATOM 236 O PRO A 15 -17.723 -7.728 -18.235 1.00 2.12 O ATOM 237 CB PRO A 15 -19.076 -4.880 -19.467 1.00 44.12 C ATOM 238 CG PRO A 15 -19.033 -5.510 -20.816 1.00 60.53 C ATOM 239 CD PRO A 15 -17.577 -5.620 -21.176 1.00 52.04 C ATOM 0 HA PRO A 15 -17.381 -4.670 -18.064 1.00 53.54 H new ATOM 0 HB2 PRO A 15 -19.977 -5.167 -18.925 1.00 44.12 H new ATOM 0 HB3 PRO A 15 -19.079 -3.792 -19.538 1.00 44.12 H new ATOM 0 HG2 PRO A 15 -19.507 -6.491 -20.804 1.00 60.53 H new ATOM 0 HG3 PRO A 15 -19.571 -4.905 -21.546 1.00 60.53 H new ATOM 0 HD2 PRO A 15 -17.379 -6.504 -21.782 1.00 52.04 H new ATOM 0 HD3 PRO A 15 -17.239 -4.758 -21.751 1.00 52.04 H new ATOM 247 N ARG A 16 -18.881 -6.403 -16.833 1.00 13.05 N ATOM 248 CA ARG A 16 -19.258 -7.492 -15.940 1.00 33.23 C ATOM 249 C ARG A 16 -20.420 -8.294 -16.520 1.00 44.23 C ATOM 250 O ARG A 16 -20.785 -9.345 -15.995 1.00 51.52 O ATOM 251 CB ARG A 16 -19.641 -6.943 -14.564 1.00 62.20 C ATOM 252 CG ARG A 16 -18.636 -5.950 -14.004 1.00 12.41 C ATOM 253 CD ARG A 16 -17.322 -6.627 -13.648 1.00 41.32 C ATOM 254 NE ARG A 16 -16.615 -5.923 -12.581 1.00 60.33 N ATOM 255 CZ ARG A 16 -16.918 -6.045 -11.294 1.00 35.12 C ATOM 256 NH1 ARG A 16 -17.910 -6.839 -10.915 1.00 74.34 N ATOM 257 NH2 ARG A 16 -16.229 -5.372 -10.382 1.00 24.13 N ATOM 0 H ARG A 16 -19.234 -5.488 -16.554 1.00 13.05 H new ATOM 0 HA ARG A 16 -18.399 -8.154 -15.834 1.00 33.23 H new ATOM 0 HB2 ARG A 16 -20.616 -6.461 -14.633 1.00 62.20 H new ATOM 0 HB3 ARG A 16 -19.745 -7.774 -13.867 1.00 62.20 H new ATOM 0 HG2 ARG A 16 -18.454 -5.163 -14.736 1.00 12.41 H new ATOM 0 HG3 ARG A 16 -19.052 -5.471 -13.117 1.00 12.41 H new ATOM 0 HD2 ARG A 16 -17.516 -7.654 -13.338 1.00 41.32 H new ATOM 0 HD3 ARG A 16 -16.688 -6.675 -14.533 1.00 41.32 H new ATOM 0 HE ARG A 16 -15.847 -5.304 -12.839 1.00 60.33 H new ATOM 0 HH11 ARG A 16 -18.443 -7.358 -11.613 1.00 74.34 H new ATOM 0 HH12 ARG A 16 -18.140 -6.931 -9.926 1.00 74.34 H new ATOM 0 HH21 ARG A 16 -15.465 -4.760 -10.669 1.00 24.13 H new ATOM 0 HH22 ARG A 16 -16.463 -5.467 -9.394 1.00 24.13 H new ATOM 271 N ASN A 17 -20.995 -7.789 -17.607 1.00 35.33 N ATOM 272 CA ASN A 17 -22.116 -8.458 -18.258 1.00 52.41 C ATOM 273 C ASN A 17 -21.718 -8.964 -19.641 1.00 72.21 C ATOM 274 O ASN A 17 -22.546 -9.496 -20.380 1.00 62.32 O ATOM 275 CB ASN A 17 -23.307 -7.504 -18.375 1.00 73.51 C ATOM 276 CG ASN A 17 -22.909 -6.144 -18.915 1.00 23.52 C ATOM 277 OD1 ASN A 17 -22.052 -6.040 -19.793 1.00 54.41 O ATOM 278 ND2 ASN A 17 -23.530 -5.095 -18.390 1.00 3.40 N ATOM 0 H ASN A 17 -20.704 -6.920 -18.055 1.00 35.33 H new ATOM 0 HA ASN A 17 -22.402 -9.313 -17.646 1.00 52.41 H new ATOM 0 HB2 ASN A 17 -24.059 -7.945 -19.029 1.00 73.51 H new ATOM 0 HB3 ASN A 17 -23.768 -7.382 -17.395 1.00 73.51 H new ATOM 0 HD21 ASN A 17 -23.303 -4.154 -18.712 1.00 3.40 H new ATOM 0 HD22 ASN A 17 -24.234 -5.230 -17.664 1.00 3.40 H new ATOM 285 N ALA A 18 -20.445 -8.795 -19.983 1.00 72.14 N ATOM 286 CA ALA A 18 -19.937 -9.237 -21.276 1.00 25.22 C ATOM 287 C ALA A 18 -20.262 -10.707 -21.520 1.00 43.12 C ATOM 288 O ALA A 18 -20.532 -11.457 -20.582 1.00 41.13 O ATOM 289 CB ALA A 18 -18.435 -9.006 -21.359 1.00 50.12 C ATOM 0 H ALA A 18 -19.747 -8.355 -19.383 1.00 72.14 H new ATOM 0 HA ALA A 18 -20.428 -8.650 -22.052 1.00 25.22 H new ATOM 0 HB1 ALA A 18 -18.069 -9.340 -22.330 1.00 50.12 H new ATOM 0 HB2 ALA A 18 -18.223 -7.944 -21.237 1.00 50.12 H new ATOM 0 HB3 ALA A 18 -17.936 -9.568 -20.570 1.00 50.12 H new ATOM 295 N SER A 19 -20.234 -11.112 -22.786 1.00 13.21 N ATOM 296 CA SER A 19 -20.531 -12.491 -23.154 1.00 22.43 C ATOM 297 C SER A 19 -19.261 -13.227 -23.572 1.00 12.12 C ATOM 298 O SER A 19 -18.221 -12.610 -23.801 1.00 54.11 O ATOM 299 CB SER A 19 -21.554 -12.530 -24.291 1.00 1.34 C ATOM 300 OG SER A 19 -22.479 -11.462 -24.181 1.00 2.25 O ATOM 0 H SER A 19 -20.009 -10.504 -23.574 1.00 13.21 H new ATOM 0 HA SER A 19 -20.950 -12.991 -22.281 1.00 22.43 H new ATOM 0 HB2 SER A 19 -21.039 -12.472 -25.250 1.00 1.34 H new ATOM 0 HB3 SER A 19 -22.087 -13.481 -24.272 1.00 1.34 H new ATOM 0 HG SER A 19 -23.121 -11.508 -24.920 1.00 2.25 H new ATOM 306 N GLN A 20 -19.356 -14.549 -23.668 1.00 64.14 N ATOM 307 CA GLN A 20 -18.215 -15.369 -24.058 1.00 62.40 C ATOM 308 C GLN A 20 -17.739 -15.009 -25.461 1.00 42.43 C ATOM 309 O GLN A 20 -16.570 -15.196 -25.799 1.00 42.44 O ATOM 310 CB GLN A 20 -18.582 -16.853 -23.997 1.00 71.11 C ATOM 311 CG GLN A 20 -19.333 -17.243 -22.734 1.00 4.42 C ATOM 312 CD GLN A 20 -18.745 -16.611 -21.487 1.00 64.14 C ATOM 313 OE1 GLN A 20 -19.210 -15.568 -21.028 1.00 3.25 O ATOM 314 NE2 GLN A 20 -17.716 -17.242 -20.933 1.00 1.32 N ATOM 0 H GLN A 20 -20.210 -15.075 -23.481 1.00 64.14 H new ATOM 0 HA GLN A 20 -17.403 -15.173 -23.357 1.00 62.40 H new ATOM 0 HB2 GLN A 20 -19.192 -17.104 -24.865 1.00 71.11 H new ATOM 0 HB3 GLN A 20 -17.671 -17.447 -24.066 1.00 71.11 H new ATOM 0 HG2 GLN A 20 -20.377 -16.945 -22.830 1.00 4.42 H new ATOM 0 HG3 GLN A 20 -19.319 -18.328 -22.628 1.00 4.42 H new ATOM 0 HE21 GLN A 20 -17.363 -18.104 -21.348 1.00 1.32 H new ATOM 0 HE22 GLN A 20 -17.278 -16.864 -20.093 1.00 1.32 H new ATOM 323 N LYS A 21 -18.652 -14.490 -26.275 1.00 71.45 N ATOM 324 CA LYS A 21 -18.327 -14.102 -27.643 1.00 3.14 C ATOM 325 C LYS A 21 -17.594 -12.764 -27.668 1.00 62.44 C ATOM 326 O LYS A 21 -16.614 -12.598 -28.394 1.00 1.13 O ATOM 327 CB LYS A 21 -19.600 -14.014 -28.487 1.00 13.05 C ATOM 328 CG LYS A 21 -20.364 -15.324 -28.574 1.00 22.12 C ATOM 329 CD LYS A 21 -21.515 -15.234 -29.561 1.00 14.21 C ATOM 330 CE LYS A 21 -21.015 -15.062 -30.987 1.00 1.11 C ATOM 331 NZ LYS A 21 -22.105 -15.252 -31.984 1.00 24.41 N ATOM 0 H LYS A 21 -19.624 -14.328 -26.011 1.00 71.45 H new ATOM 0 HA LYS A 21 -17.672 -14.864 -28.065 1.00 3.14 H new ATOM 0 HB2 LYS A 21 -20.253 -13.250 -28.066 1.00 13.05 H new ATOM 0 HB3 LYS A 21 -19.337 -13.689 -29.494 1.00 13.05 H new ATOM 0 HG2 LYS A 21 -19.686 -16.122 -28.876 1.00 22.12 H new ATOM 0 HG3 LYS A 21 -20.748 -15.588 -27.589 1.00 22.12 H new ATOM 0 HD2 LYS A 21 -22.124 -16.135 -29.494 1.00 14.21 H new ATOM 0 HD3 LYS A 21 -22.158 -14.395 -29.296 1.00 14.21 H new ATOM 0 HE2 LYS A 21 -20.586 -14.067 -31.104 1.00 1.11 H new ATOM 0 HE3 LYS A 21 -20.217 -15.778 -31.181 1.00 1.11 H new ATOM 0 HZ1 LYS A 21 -21.724 -15.127 -32.943 1.00 24.41 H new ATOM 0 HZ2 LYS A 21 -22.498 -16.210 -31.890 1.00 24.41 H new ATOM 0 HZ3 LYS A 21 -22.855 -14.552 -31.816 1.00 24.41 H new ATOM 345 N GLU A 22 -18.075 -11.816 -26.871 1.00 40.53 N ATOM 346 CA GLU A 22 -17.464 -10.493 -26.803 1.00 62.35 C ATOM 347 C GLU A 22 -16.058 -10.573 -26.216 1.00 64.44 C ATOM 348 O GLU A 22 -15.174 -9.799 -26.587 1.00 33.45 O ATOM 349 CB GLU A 22 -18.327 -9.551 -25.962 1.00 3.21 C ATOM 350 CG GLU A 22 -17.735 -8.160 -25.806 1.00 24.24 C ATOM 351 CD GLU A 22 -17.529 -7.461 -27.135 1.00 50.22 C ATOM 352 OE1 GLU A 22 -18.520 -7.297 -27.878 1.00 3.31 O ATOM 353 OE2 GLU A 22 -16.379 -7.078 -27.433 1.00 65.13 O ATOM 0 H GLU A 22 -18.885 -11.939 -26.264 1.00 40.53 H new ATOM 0 HA GLU A 22 -17.394 -10.101 -27.818 1.00 62.35 H new ATOM 0 HB2 GLU A 22 -19.312 -9.468 -26.420 1.00 3.21 H new ATOM 0 HB3 GLU A 22 -18.471 -9.988 -24.974 1.00 3.21 H new ATOM 0 HG2 GLU A 22 -18.394 -7.557 -25.181 1.00 24.24 H new ATOM 0 HG3 GLU A 22 -16.780 -8.232 -25.286 1.00 24.24 H new ATOM 360 N ILE A 23 -15.858 -11.514 -25.299 1.00 74.15 N ATOM 361 CA ILE A 23 -14.560 -11.696 -24.662 1.00 14.23 C ATOM 362 C ILE A 23 -13.516 -12.170 -25.666 1.00 43.44 C ATOM 363 O ILE A 23 -12.342 -11.808 -25.576 1.00 72.12 O ATOM 364 CB ILE A 23 -14.639 -12.708 -23.504 1.00 21.23 C ATOM 365 CG1 ILE A 23 -15.614 -12.216 -22.432 1.00 43.31 C ATOM 366 CG2 ILE A 23 -13.259 -12.938 -22.907 1.00 4.04 C ATOM 367 CD1 ILE A 23 -16.319 -13.334 -21.697 1.00 41.00 C ATOM 0 H ILE A 23 -16.579 -12.162 -24.981 1.00 74.15 H new ATOM 0 HA ILE A 23 -14.264 -10.725 -24.266 1.00 14.23 H new ATOM 0 HB ILE A 23 -15.007 -13.656 -23.895 1.00 21.23 H new ATOM 0 HG12 ILE A 23 -15.071 -11.605 -21.712 1.00 43.31 H new ATOM 0 HG13 ILE A 23 -16.360 -11.572 -22.899 1.00 43.31 H new ATOM 0 HG21 ILE A 23 -13.331 -13.656 -22.090 1.00 4.04 H new ATOM 0 HG22 ILE A 23 -12.591 -13.328 -23.675 1.00 4.04 H new ATOM 0 HG23 ILE A 23 -12.865 -11.995 -22.528 1.00 4.04 H new ATOM 0 HD11 ILE A 23 -16.994 -12.911 -20.953 1.00 41.00 H new ATOM 0 HD12 ILE A 23 -16.890 -13.932 -22.407 1.00 41.00 H new ATOM 0 HD13 ILE A 23 -15.582 -13.965 -21.201 1.00 41.00 H new ATOM 379 N LYS A 24 -13.950 -12.980 -26.625 1.00 71.14 N ATOM 380 CA LYS A 24 -13.054 -13.502 -27.651 1.00 34.23 C ATOM 381 C LYS A 24 -12.447 -12.369 -28.471 1.00 52.31 C ATOM 382 O LYS A 24 -11.264 -12.398 -28.810 1.00 60.43 O ATOM 383 CB LYS A 24 -13.806 -14.466 -28.571 1.00 73.22 C ATOM 384 CG LYS A 24 -14.119 -15.805 -27.925 1.00 15.41 C ATOM 385 CD LYS A 24 -13.989 -16.947 -28.918 1.00 34.31 C ATOM 386 CE LYS A 24 -15.259 -17.121 -29.737 1.00 33.31 C ATOM 387 NZ LYS A 24 -16.311 -17.855 -28.980 1.00 53.30 N ATOM 0 H LYS A 24 -14.918 -13.290 -26.714 1.00 71.14 H new ATOM 0 HA LYS A 24 -12.247 -14.039 -27.154 1.00 34.23 H new ATOM 0 HB2 LYS A 24 -14.738 -13.999 -28.889 1.00 73.22 H new ATOM 0 HB3 LYS A 24 -13.212 -14.635 -29.469 1.00 73.22 H new ATOM 0 HG2 LYS A 24 -13.443 -15.972 -27.086 1.00 15.41 H new ATOM 0 HG3 LYS A 24 -15.131 -15.787 -27.520 1.00 15.41 H new ATOM 0 HD2 LYS A 24 -13.148 -16.757 -29.585 1.00 34.31 H new ATOM 0 HD3 LYS A 24 -13.770 -17.872 -28.384 1.00 34.31 H new ATOM 0 HE2 LYS A 24 -15.639 -16.142 -30.030 1.00 33.31 H new ATOM 0 HE3 LYS A 24 -15.028 -17.662 -30.655 1.00 33.31 H new ATOM 0 HZ1 LYS A 24 -17.160 -17.953 -29.572 1.00 53.30 H new ATOM 0 HZ2 LYS A 24 -15.958 -18.799 -28.722 1.00 53.30 H new ATOM 0 HZ3 LYS A 24 -16.550 -17.327 -28.117 1.00 53.30 H new ATOM 401 N LYS A 25 -13.264 -11.369 -28.786 1.00 61.12 N ATOM 402 CA LYS A 25 -12.807 -10.224 -29.564 1.00 55.34 C ATOM 403 C LYS A 25 -11.892 -9.331 -28.733 1.00 11.22 C ATOM 404 O LYS A 25 -10.818 -8.935 -29.185 1.00 11.05 O ATOM 405 CB LYS A 25 -14.004 -9.415 -30.070 1.00 73.11 C ATOM 406 CG LYS A 25 -14.910 -10.192 -31.010 1.00 21.01 C ATOM 407 CD LYS A 25 -16.339 -9.678 -30.959 1.00 30.33 C ATOM 408 CE LYS A 25 -16.512 -8.427 -31.806 1.00 11.01 C ATOM 409 NZ LYS A 25 -17.926 -8.236 -32.231 1.00 74.43 N ATOM 0 H LYS A 25 -14.246 -11.329 -28.514 1.00 61.12 H new ATOM 0 HA LYS A 25 -12.242 -10.599 -30.417 1.00 55.34 H new ATOM 0 HB2 LYS A 25 -14.588 -9.073 -29.216 1.00 73.11 H new ATOM 0 HB3 LYS A 25 -13.640 -8.525 -30.583 1.00 73.11 H new ATOM 0 HG2 LYS A 25 -14.531 -10.115 -32.029 1.00 21.01 H new ATOM 0 HG3 LYS A 25 -14.893 -11.249 -30.743 1.00 21.01 H new ATOM 0 HD2 LYS A 25 -17.019 -10.454 -31.311 1.00 30.33 H new ATOM 0 HD3 LYS A 25 -16.612 -9.460 -29.926 1.00 30.33 H new ATOM 0 HE2 LYS A 25 -16.182 -7.556 -31.239 1.00 11.01 H new ATOM 0 HE3 LYS A 25 -15.874 -8.494 -32.687 1.00 11.01 H new ATOM 0 HZ1 LYS A 25 -18.002 -7.373 -32.806 1.00 74.43 H new ATOM 0 HZ2 LYS A 25 -18.233 -9.055 -32.794 1.00 74.43 H new ATOM 0 HZ3 LYS A 25 -18.532 -8.146 -31.391 1.00 74.43 H new ATOM 423 N ALA A 26 -12.324 -9.019 -27.515 1.00 50.12 N ATOM 424 CA ALA A 26 -11.542 -8.176 -26.620 1.00 25.02 C ATOM 425 C ALA A 26 -10.220 -8.843 -26.253 1.00 51.12 C ATOM 426 O ALA A 26 -9.217 -8.168 -26.020 1.00 21.32 O ATOM 427 CB ALA A 26 -12.340 -7.856 -25.364 1.00 64.24 C ATOM 0 H ALA A 26 -13.211 -9.338 -27.126 1.00 50.12 H new ATOM 0 HA ALA A 26 -11.317 -7.246 -27.142 1.00 25.02 H new ATOM 0 HB1 ALA A 26 -11.743 -7.226 -24.705 1.00 64.24 H new ATOM 0 HB2 ALA A 26 -13.255 -7.331 -25.638 1.00 64.24 H new ATOM 0 HB3 ALA A 26 -12.594 -8.782 -24.848 1.00 64.24 H new ATOM 433 N TYR A 27 -10.226 -10.170 -26.204 1.00 35.32 N ATOM 434 CA TYR A 27 -9.029 -10.928 -25.862 1.00 64.23 C ATOM 435 C TYR A 27 -8.022 -10.903 -27.009 1.00 14.52 C ATOM 436 O TYR A 27 -6.812 -10.881 -26.787 1.00 5.51 O ATOM 437 CB TYR A 27 -9.394 -12.374 -25.522 1.00 52.01 C ATOM 438 CG TYR A 27 -8.195 -13.281 -25.367 1.00 63.41 C ATOM 439 CD1 TYR A 27 -7.122 -12.916 -24.562 1.00 74.43 C ATOM 440 CD2 TYR A 27 -8.133 -14.503 -26.026 1.00 40.01 C ATOM 441 CE1 TYR A 27 -6.024 -13.742 -24.418 1.00 50.21 C ATOM 442 CE2 TYR A 27 -7.039 -15.335 -25.887 1.00 34.34 C ATOM 443 CZ TYR A 27 -5.987 -14.950 -25.082 1.00 34.42 C ATOM 444 OH TYR A 27 -4.896 -15.776 -24.941 1.00 64.15 O ATOM 0 H TYR A 27 -11.047 -10.743 -26.397 1.00 35.32 H new ATOM 0 HA TYR A 27 -8.572 -10.461 -24.990 1.00 64.23 H new ATOM 0 HB2 TYR A 27 -9.970 -12.386 -24.597 1.00 52.01 H new ATOM 0 HB3 TYR A 27 -10.040 -12.771 -26.305 1.00 52.01 H new ATOM 0 HD1 TYR A 27 -7.147 -11.971 -24.040 1.00 74.43 H new ATOM 0 HD2 TYR A 27 -8.954 -14.807 -26.658 1.00 40.01 H new ATOM 0 HE1 TYR A 27 -5.199 -13.443 -23.789 1.00 50.21 H new ATOM 0 HE2 TYR A 27 -7.008 -16.282 -26.406 1.00 34.34 H new ATOM 0 HH TYR A 27 -5.029 -16.588 -25.474 1.00 64.15 H new ATOM 454 N TYR A 28 -8.533 -10.905 -28.235 1.00 41.21 N ATOM 455 CA TYR A 28 -7.681 -10.884 -29.418 1.00 5.41 C ATOM 456 C TYR A 28 -7.095 -9.493 -29.642 1.00 44.02 C ATOM 457 O TYR A 28 -5.895 -9.344 -29.874 1.00 53.34 O ATOM 458 CB TYR A 28 -8.473 -11.320 -30.651 1.00 62.42 C ATOM 459 CG TYR A 28 -7.687 -11.227 -31.940 1.00 34.12 C ATOM 460 CD1 TYR A 28 -8.159 -10.478 -33.011 1.00 73.41 C ATOM 461 CD2 TYR A 28 -6.474 -11.888 -32.087 1.00 33.23 C ATOM 462 CE1 TYR A 28 -7.446 -10.391 -34.191 1.00 4.43 C ATOM 463 CE2 TYR A 28 -5.753 -11.805 -33.262 1.00 12.10 C ATOM 464 CZ TYR A 28 -6.243 -11.055 -34.311 1.00 60.21 C ATOM 465 OH TYR A 28 -5.528 -10.971 -35.484 1.00 13.10 O ATOM 0 H TYR A 28 -9.533 -10.921 -28.436 1.00 41.21 H new ATOM 0 HA TYR A 28 -6.861 -11.583 -29.256 1.00 5.41 H new ATOM 0 HB2 TYR A 28 -8.808 -12.348 -30.513 1.00 62.42 H new ATOM 0 HB3 TYR A 28 -9.367 -10.702 -30.735 1.00 62.42 H new ATOM 0 HD1 TYR A 28 -9.099 -9.955 -32.919 1.00 73.41 H new ATOM 0 HD2 TYR A 28 -6.088 -12.477 -31.268 1.00 33.23 H new ATOM 0 HE1 TYR A 28 -7.828 -9.806 -35.015 1.00 4.43 H new ATOM 0 HE2 TYR A 28 -4.811 -12.324 -33.359 1.00 12.10 H new ATOM 0 HH TYR A 28 -4.704 -11.495 -35.403 1.00 13.10 H new ATOM 475 N GLN A 29 -7.951 -8.479 -29.570 1.00 45.32 N ATOM 476 CA GLN A 29 -7.518 -7.100 -29.765 1.00 55.14 C ATOM 477 C GLN A 29 -6.460 -6.710 -28.738 1.00 75.43 C ATOM 478 O GLN A 29 -5.550 -5.934 -29.033 1.00 34.24 O ATOM 479 CB GLN A 29 -8.714 -6.150 -29.669 1.00 63.21 C ATOM 480 CG GLN A 29 -9.187 -5.910 -28.245 1.00 3.05 C ATOM 481 CD GLN A 29 -10.331 -4.919 -28.169 1.00 12.31 C ATOM 482 OE1 GLN A 29 -10.955 -4.594 -29.180 1.00 63.40 O ATOM 483 NE2 GLN A 29 -10.614 -4.431 -26.967 1.00 31.25 N ATOM 0 H GLN A 29 -8.947 -8.586 -29.378 1.00 45.32 H new ATOM 0 HA GLN A 29 -7.078 -7.021 -30.759 1.00 55.14 H new ATOM 0 HB2 GLN A 29 -8.446 -5.195 -30.120 1.00 63.21 H new ATOM 0 HB3 GLN A 29 -9.539 -6.558 -30.253 1.00 63.21 H new ATOM 0 HG2 GLN A 29 -9.502 -6.857 -27.806 1.00 3.05 H new ATOM 0 HG3 GLN A 29 -8.353 -5.543 -27.646 1.00 3.05 H new ATOM 0 HE21 GLN A 29 -10.072 -4.727 -26.156 1.00 31.25 H new ATOM 0 HE22 GLN A 29 -11.374 -3.760 -26.855 1.00 31.25 H new ATOM 492 N LEU A 30 -6.586 -7.253 -27.532 1.00 62.24 N ATOM 493 CA LEU A 30 -5.640 -6.962 -26.460 1.00 71.34 C ATOM 494 C LEU A 30 -4.306 -7.658 -26.708 1.00 24.53 C ATOM 495 O LEU A 30 -3.242 -7.079 -26.488 1.00 72.34 O ATOM 496 CB LEU A 30 -6.215 -7.402 -25.113 1.00 15.31 C ATOM 497 CG LEU A 30 -6.594 -6.279 -24.146 1.00 44.12 C ATOM 498 CD1 LEU A 30 -7.485 -5.258 -24.836 1.00 43.13 C ATOM 499 CD2 LEU A 30 -7.284 -6.846 -22.914 1.00 43.31 C ATOM 0 H LEU A 30 -7.333 -7.897 -27.272 1.00 62.24 H new ATOM 0 HA LEU A 30 -5.469 -5.886 -26.441 1.00 71.34 H new ATOM 0 HB2 LEU A 30 -7.101 -8.008 -25.300 1.00 15.31 H new ATOM 0 HB3 LEU A 30 -5.486 -8.046 -24.622 1.00 15.31 H new ATOM 0 HG LEU A 30 -5.681 -5.777 -23.827 1.00 44.12 H new ATOM 0 HD11 LEU A 30 -7.744 -4.467 -24.132 1.00 43.13 H new ATOM 0 HD12 LEU A 30 -6.955 -4.828 -25.686 1.00 43.13 H new ATOM 0 HD13 LEU A 30 -8.395 -5.746 -25.185 1.00 43.13 H new ATOM 0 HD21 LEU A 30 -7.546 -6.033 -22.237 1.00 43.31 H new ATOM 0 HD22 LEU A 30 -8.189 -7.374 -23.215 1.00 43.31 H new ATOM 0 HD23 LEU A 30 -6.612 -7.538 -22.406 1.00 43.31 H new ATOM 511 N ALA A 31 -4.370 -8.904 -27.168 1.00 1.35 N ATOM 512 CA ALA A 31 -3.167 -9.677 -27.449 1.00 20.21 C ATOM 513 C ALA A 31 -2.279 -8.962 -28.462 1.00 30.33 C ATOM 514 O ALA A 31 -1.057 -8.925 -28.315 1.00 32.11 O ATOM 515 CB ALA A 31 -3.537 -11.064 -27.955 1.00 13.43 C ATOM 0 H ALA A 31 -5.242 -9.399 -27.354 1.00 1.35 H new ATOM 0 HA ALA A 31 -2.605 -9.779 -26.520 1.00 20.21 H new ATOM 0 HB1 ALA A 31 -2.629 -11.630 -28.161 1.00 13.43 H new ATOM 0 HB2 ALA A 31 -4.124 -11.583 -27.198 1.00 13.43 H new ATOM 0 HB3 ALA A 31 -4.123 -10.973 -28.869 1.00 13.43 H new ATOM 521 N LYS A 32 -2.900 -8.396 -29.490 1.00 55.25 N ATOM 522 CA LYS A 32 -2.167 -7.681 -30.529 1.00 14.15 C ATOM 523 C LYS A 32 -1.378 -6.519 -29.935 1.00 0.42 C ATOM 524 O LYS A 32 -0.327 -6.139 -30.453 1.00 15.03 O ATOM 525 CB LYS A 32 -3.132 -7.163 -31.598 1.00 3.10 C ATOM 526 CG LYS A 32 -3.726 -8.260 -32.464 1.00 33.13 C ATOM 527 CD LYS A 32 -5.159 -7.944 -32.859 1.00 31.14 C ATOM 528 CE LYS A 32 -5.216 -7.110 -34.129 1.00 70.34 C ATOM 529 NZ LYS A 32 -4.917 -7.924 -35.340 1.00 54.24 N ATOM 0 H LYS A 32 -3.911 -8.418 -29.627 1.00 55.25 H new ATOM 0 HA LYS A 32 -1.465 -8.377 -30.989 1.00 14.15 H new ATOM 0 HB2 LYS A 32 -3.941 -6.618 -31.112 1.00 3.10 H new ATOM 0 HB3 LYS A 32 -2.607 -6.452 -32.236 1.00 3.10 H new ATOM 0 HG2 LYS A 32 -3.120 -8.385 -33.361 1.00 33.13 H new ATOM 0 HG3 LYS A 32 -3.697 -9.207 -31.925 1.00 33.13 H new ATOM 0 HD2 LYS A 32 -5.710 -8.873 -33.007 1.00 31.14 H new ATOM 0 HD3 LYS A 32 -5.651 -7.408 -32.048 1.00 31.14 H new ATOM 0 HE2 LYS A 32 -6.206 -6.664 -34.226 1.00 70.34 H new ATOM 0 HE3 LYS A 32 -4.502 -6.290 -34.057 1.00 70.34 H new ATOM 0 HZ1 LYS A 32 -5.426 -7.531 -36.157 1.00 54.24 H new ATOM 0 HZ2 LYS A 32 -3.894 -7.905 -35.528 1.00 54.24 H new ATOM 0 HZ3 LYS A 32 -5.221 -8.906 -35.182 1.00 54.24 H new ATOM 543 N LYS A 33 -1.890 -5.958 -28.844 1.00 44.33 N ATOM 544 CA LYS A 33 -1.232 -4.840 -28.178 1.00 23.34 C ATOM 545 C LYS A 33 0.030 -5.303 -27.457 1.00 23.42 C ATOM 546 O LYS A 33 1.028 -4.584 -27.407 1.00 50.42 O ATOM 547 CB LYS A 33 -2.187 -4.180 -27.181 1.00 54.24 C ATOM 548 CG LYS A 33 -3.442 -3.614 -27.825 1.00 65.22 C ATOM 549 CD LYS A 33 -4.338 -2.939 -26.801 1.00 33.21 C ATOM 550 CE LYS A 33 -5.040 -1.724 -27.389 1.00 22.51 C ATOM 551 NZ LYS A 33 -5.880 -2.084 -28.564 1.00 73.33 N ATOM 0 H LYS A 33 -2.759 -6.260 -28.403 1.00 44.33 H new ATOM 0 HA LYS A 33 -0.949 -4.112 -28.939 1.00 23.34 H new ATOM 0 HB2 LYS A 33 -2.474 -4.912 -26.426 1.00 54.24 H new ATOM 0 HB3 LYS A 33 -1.661 -3.378 -26.663 1.00 54.24 H new ATOM 0 HG2 LYS A 33 -3.164 -2.896 -28.596 1.00 65.22 H new ATOM 0 HG3 LYS A 33 -3.992 -4.415 -28.319 1.00 65.22 H new ATOM 0 HD2 LYS A 33 -5.081 -3.651 -26.441 1.00 33.21 H new ATOM 0 HD3 LYS A 33 -3.743 -2.635 -25.940 1.00 33.21 H new ATOM 0 HE2 LYS A 33 -5.664 -1.260 -26.625 1.00 22.51 H new ATOM 0 HE3 LYS A 33 -4.297 -0.984 -27.687 1.00 22.51 H new ATOM 0 HZ1 LYS A 33 -6.458 -1.265 -28.842 1.00 73.33 H new ATOM 0 HZ2 LYS A 33 -5.267 -2.360 -29.357 1.00 73.33 H new ATOM 0 HZ3 LYS A 33 -6.503 -2.879 -28.315 1.00 73.33 H new ATOM 565 N TYR A 34 -0.020 -6.509 -26.901 1.00 51.20 N ATOM 566 CA TYR A 34 1.119 -7.067 -26.182 1.00 70.23 C ATOM 567 C TYR A 34 1.847 -8.102 -27.035 1.00 44.51 C ATOM 568 O TYR A 34 2.530 -8.984 -26.514 1.00 3.33 O ATOM 569 CB TYR A 34 0.658 -7.705 -24.870 1.00 42.24 C ATOM 570 CG TYR A 34 -0.003 -6.730 -23.923 1.00 14.21 C ATOM 571 CD1 TYR A 34 0.753 -5.952 -23.055 1.00 50.00 C ATOM 572 CD2 TYR A 34 -1.385 -6.586 -23.896 1.00 52.24 C ATOM 573 CE1 TYR A 34 0.153 -5.061 -22.187 1.00 55.42 C ATOM 574 CE2 TYR A 34 -1.994 -5.696 -23.033 1.00 12.21 C ATOM 575 CZ TYR A 34 -1.221 -4.936 -22.180 1.00 51.10 C ATOM 576 OH TYR A 34 -1.823 -4.048 -21.318 1.00 40.00 O ATOM 0 H TYR A 34 -0.837 -7.119 -26.935 1.00 51.20 H new ATOM 0 HA TYR A 34 1.810 -6.254 -25.960 1.00 70.23 H new ATOM 0 HB2 TYR A 34 -0.040 -8.512 -25.094 1.00 42.24 H new ATOM 0 HB3 TYR A 34 1.517 -8.156 -24.373 1.00 42.24 H new ATOM 0 HD1 TYR A 34 1.829 -6.046 -23.059 1.00 50.00 H new ATOM 0 HD2 TYR A 34 -1.993 -7.180 -24.561 1.00 52.24 H new ATOM 0 HE1 TYR A 34 0.756 -4.465 -21.517 1.00 55.42 H new ATOM 0 HE2 TYR A 34 -3.069 -5.596 -23.026 1.00 12.21 H new ATOM 0 HH TYR A 34 -2.795 -4.081 -21.440 1.00 40.00 H new ATOM 586 N HIS A 35 1.697 -7.986 -28.351 1.00 0.22 N ATOM 587 CA HIS A 35 2.341 -8.909 -29.278 1.00 60.40 C ATOM 588 C HIS A 35 3.858 -8.756 -29.231 1.00 63.24 C ATOM 589 O HIS A 35 4.391 -7.742 -28.780 1.00 55.11 O ATOM 590 CB HIS A 35 1.836 -8.671 -30.701 1.00 62.14 C ATOM 591 CG HIS A 35 0.906 -9.737 -31.193 1.00 40.14 C ATOM 592 ND1 HIS A 35 0.079 -10.458 -30.358 1.00 52.04 N ATOM 593 CD2 HIS A 35 0.674 -10.201 -32.443 1.00 71.44 C ATOM 594 CE1 HIS A 35 -0.621 -11.321 -31.073 1.00 63.02 C ATOM 595 NE2 HIS A 35 -0.279 -11.185 -32.342 1.00 24.32 N ATOM 0 H HIS A 35 1.135 -7.262 -28.799 1.00 0.22 H new ATOM 0 HA HIS A 35 2.087 -9.925 -28.976 1.00 60.40 H new ATOM 0 HB2 HIS A 35 1.326 -7.709 -30.740 1.00 62.14 H new ATOM 0 HB3 HIS A 35 2.690 -8.606 -31.375 1.00 62.14 H new ATOM 0 HD1 HIS A 35 0.017 -10.343 -29.346 1.00 52.04 H new ATOM 0 HD2 HIS A 35 1.150 -9.861 -33.351 1.00 71.44 H new ATOM 0 HE1 HIS A 35 -1.349 -12.019 -30.686 1.00 63.02 H new ATOM 603 N PRO A 36 4.573 -9.787 -29.708 1.00 14.41 N ATOM 604 CA PRO A 36 6.038 -9.790 -29.731 1.00 64.12 C ATOM 605 C PRO A 36 6.604 -8.802 -30.745 1.00 45.20 C ATOM 606 O PRO A 36 7.799 -8.505 -30.736 1.00 42.13 O ATOM 607 CB PRO A 36 6.383 -11.226 -30.134 1.00 62.01 C ATOM 608 CG PRO A 36 5.191 -11.704 -30.889 1.00 63.31 C ATOM 609 CD PRO A 36 4.004 -11.027 -30.261 1.00 64.33 C ATOM 0 HA PRO A 36 6.461 -9.488 -28.773 1.00 64.12 H new ATOM 0 HB2 PRO A 36 7.281 -11.259 -30.750 1.00 62.01 H new ATOM 0 HB3 PRO A 36 6.573 -11.848 -29.259 1.00 62.01 H new ATOM 0 HG2 PRO A 36 5.271 -11.450 -31.946 1.00 63.31 H new ATOM 0 HG3 PRO A 36 5.099 -12.788 -30.828 1.00 63.31 H new ATOM 0 HD2 PRO A 36 3.225 -10.820 -30.995 1.00 64.33 H new ATOM 0 HD3 PRO A 36 3.554 -11.644 -29.484 1.00 64.33 H new ATOM 617 N ASP A 37 5.740 -8.295 -31.617 1.00 34.41 N ATOM 618 CA ASP A 37 6.154 -7.339 -32.637 1.00 15.43 C ATOM 619 C ASP A 37 6.380 -5.959 -32.027 1.00 54.53 C ATOM 620 O ASP A 37 7.108 -5.134 -32.581 1.00 60.43 O ATOM 621 CB ASP A 37 5.102 -7.255 -33.744 1.00 42.34 C ATOM 622 CG ASP A 37 4.871 -8.589 -34.425 1.00 73.33 C ATOM 623 OD1 ASP A 37 3.824 -8.743 -35.089 1.00 61.42 O ATOM 624 OD2 ASP A 37 5.737 -9.479 -34.295 1.00 34.41 O ATOM 0 H ASP A 37 4.748 -8.530 -31.638 1.00 34.41 H new ATOM 0 HA ASP A 37 7.094 -7.686 -33.066 1.00 15.43 H new ATOM 0 HB2 ASP A 37 4.162 -6.898 -33.322 1.00 42.34 H new ATOM 0 HB3 ASP A 37 5.417 -6.521 -34.486 1.00 42.34 H new ATOM 629 N THR A 38 5.749 -5.712 -30.883 1.00 3.10 N ATOM 630 CA THR A 38 5.879 -4.431 -30.199 1.00 64.52 C ATOM 631 C THR A 38 6.774 -4.553 -28.971 1.00 13.43 C ATOM 632 O THR A 38 6.962 -3.588 -28.231 1.00 50.20 O ATOM 633 CB THR A 38 4.506 -3.882 -29.768 1.00 62.55 C ATOM 634 OG1 THR A 38 4.027 -4.602 -28.627 1.00 71.32 O ATOM 635 CG2 THR A 38 3.499 -3.992 -30.903 1.00 62.54 C ATOM 0 H THR A 38 5.143 -6.383 -30.411 1.00 3.10 H new ATOM 0 HA THR A 38 6.332 -3.738 -30.908 1.00 64.52 H new ATOM 0 HB THR A 38 4.625 -2.830 -29.509 1.00 62.55 H new ATOM 0 HG1 THR A 38 4.163 -5.563 -28.766 1.00 71.32 H new ATOM 0 HG21 THR A 38 2.537 -3.598 -30.575 1.00 62.54 H new ATOM 0 HG22 THR A 38 3.853 -3.419 -31.760 1.00 62.54 H new ATOM 0 HG23 THR A 38 3.385 -5.038 -31.188 1.00 62.54 H new ATOM 643 N ASN A 39 7.323 -5.744 -28.760 1.00 22.24 N ATOM 644 CA ASN A 39 8.199 -5.991 -27.620 1.00 33.14 C ATOM 645 C ASN A 39 9.610 -5.483 -27.898 1.00 22.13 C ATOM 646 O ASN A 39 10.493 -5.570 -27.044 1.00 20.21 O ATOM 647 CB ASN A 39 8.237 -7.486 -27.294 1.00 4.40 C ATOM 648 CG ASN A 39 7.156 -7.891 -26.311 1.00 61.31 C ATOM 649 OD1 ASN A 39 7.411 -8.633 -25.362 1.00 0.30 O ATOM 650 ND2 ASN A 39 5.941 -7.406 -26.535 1.00 54.32 N ATOM 0 H ASN A 39 7.177 -6.554 -29.363 1.00 22.24 H new ATOM 0 HA ASN A 39 7.800 -5.449 -26.763 1.00 33.14 H new ATOM 0 HB2 ASN A 39 8.121 -8.059 -28.214 1.00 4.40 H new ATOM 0 HB3 ASN A 39 9.213 -7.740 -26.881 1.00 4.40 H new ATOM 0 HD21 ASN A 39 5.173 -7.645 -25.908 1.00 54.32 H new ATOM 0 HD22 ASN A 39 5.775 -6.794 -27.334 1.00 54.32 H new ATOM 657 N LYS A 40 9.816 -4.952 -29.098 1.00 10.51 N ATOM 658 CA LYS A 40 11.119 -4.427 -29.490 1.00 32.02 C ATOM 659 C LYS A 40 11.646 -3.445 -28.448 1.00 72.22 C ATOM 660 O LYS A 40 12.835 -3.444 -28.128 1.00 35.00 O ATOM 661 CB LYS A 40 11.025 -3.739 -30.854 1.00 3.15 C ATOM 662 CG LYS A 40 11.484 -4.612 -32.008 1.00 65.23 C ATOM 663 CD LYS A 40 10.314 -5.315 -32.676 1.00 2.32 C ATOM 664 CE LYS A 40 10.084 -6.698 -32.086 1.00 44.22 C ATOM 665 NZ LYS A 40 10.709 -7.765 -32.916 1.00 34.30 N ATOM 0 H LYS A 40 9.097 -4.874 -29.817 1.00 10.51 H new ATOM 0 HA LYS A 40 11.814 -5.264 -29.559 1.00 32.02 H new ATOM 0 HB2 LYS A 40 9.993 -3.435 -31.028 1.00 3.15 H new ATOM 0 HB3 LYS A 40 11.626 -2.830 -30.835 1.00 3.15 H new ATOM 0 HG2 LYS A 40 12.009 -4.000 -32.742 1.00 65.23 H new ATOM 0 HG3 LYS A 40 12.195 -5.353 -31.644 1.00 65.23 H new ATOM 0 HD2 LYS A 40 9.412 -4.714 -32.559 1.00 2.32 H new ATOM 0 HD3 LYS A 40 10.503 -5.402 -33.746 1.00 2.32 H new ATOM 0 HE2 LYS A 40 10.494 -6.735 -31.077 1.00 44.22 H new ATOM 0 HE3 LYS A 40 9.013 -6.884 -32.002 1.00 44.22 H new ATOM 0 HZ1 LYS A 40 10.530 -8.693 -32.481 1.00 34.30 H new ATOM 0 HZ2 LYS A 40 10.299 -7.746 -33.872 1.00 34.30 H new ATOM 0 HZ3 LYS A 40 11.734 -7.602 -32.976 1.00 34.30 H new ATOM 679 N ASP A 41 10.754 -2.613 -27.922 1.00 42.44 N ATOM 680 CA ASP A 41 11.129 -1.627 -26.915 1.00 22.53 C ATOM 681 C ASP A 41 10.382 -1.875 -25.608 1.00 21.21 C ATOM 682 O ASP A 41 10.293 -0.992 -24.755 1.00 42.11 O ATOM 683 CB ASP A 41 10.841 -0.213 -27.421 1.00 61.31 C ATOM 684 CG ASP A 41 11.573 0.100 -28.711 1.00 73.24 C ATOM 685 OD1 ASP A 41 10.919 0.116 -29.776 1.00 22.42 O ATOM 686 OD2 ASP A 41 12.799 0.330 -28.657 1.00 13.01 O ATOM 0 H ASP A 41 9.766 -2.602 -28.176 1.00 42.44 H new ATOM 0 HA ASP A 41 12.198 -1.725 -26.727 1.00 22.53 H new ATOM 0 HB2 ASP A 41 9.769 -0.098 -27.578 1.00 61.31 H new ATOM 0 HB3 ASP A 41 11.131 0.509 -26.658 1.00 61.31 H new ATOM 691 N ASP A 42 9.846 -3.081 -25.459 1.00 30.53 N ATOM 692 CA ASP A 42 9.106 -3.446 -24.256 1.00 1.21 C ATOM 693 C ASP A 42 9.259 -4.933 -23.953 1.00 62.24 C ATOM 694 O ASP A 42 8.391 -5.748 -24.267 1.00 63.12 O ATOM 695 CB ASP A 42 7.626 -3.095 -24.416 1.00 0.00 C ATOM 696 CG ASP A 42 6.982 -2.691 -23.105 1.00 12.35 C ATOM 697 OD1 ASP A 42 7.660 -2.032 -22.289 1.00 22.21 O ATOM 698 OD2 ASP A 42 5.799 -3.034 -22.893 1.00 44.43 O ATOM 0 H ASP A 42 9.910 -3.823 -26.156 1.00 30.53 H new ATOM 0 HA ASP A 42 9.518 -2.880 -23.421 1.00 1.21 H new ATOM 0 HB2 ASP A 42 7.524 -2.281 -25.134 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.095 -3.952 -24.829 1.00 0.00 H new ATOM 703 N PRO A 43 10.390 -5.297 -23.330 1.00 73.31 N ATOM 704 CA PRO A 43 10.684 -6.688 -22.972 1.00 74.12 C ATOM 705 C PRO A 43 9.785 -7.201 -21.852 1.00 10.31 C ATOM 706 O PRO A 43 9.800 -8.387 -21.523 1.00 4.02 O ATOM 707 CB PRO A 43 12.141 -6.634 -22.507 1.00 33.25 C ATOM 708 CG PRO A 43 12.340 -5.231 -22.046 1.00 73.41 C ATOM 709 CD PRO A 43 11.468 -4.379 -22.926 1.00 72.23 C ATOM 0 HA PRO A 43 10.514 -7.368 -23.806 1.00 74.12 H new ATOM 0 HB2 PRO A 43 12.326 -7.345 -21.702 1.00 33.25 H new ATOM 0 HB3 PRO A 43 12.825 -6.885 -23.318 1.00 33.25 H new ATOM 0 HG2 PRO A 43 12.062 -5.121 -20.998 1.00 73.41 H new ATOM 0 HG3 PRO A 43 13.386 -4.937 -22.131 1.00 73.41 H new ATOM 0 HD2 PRO A 43 11.079 -3.514 -22.389 1.00 72.23 H new ATOM 0 HD3 PRO A 43 12.016 -3.999 -23.788 1.00 72.23 H new ATOM 717 N LYS A 44 9.002 -6.300 -21.269 1.00 13.51 N ATOM 718 CA LYS A 44 8.094 -6.660 -20.186 1.00 62.01 C ATOM 719 C LYS A 44 6.693 -6.938 -20.721 1.00 31.34 C ATOM 720 O LYS A 44 5.878 -7.573 -20.052 1.00 21.24 O ATOM 721 CB LYS A 44 8.041 -5.541 -19.144 1.00 10.23 C ATOM 722 CG LYS A 44 9.055 -5.703 -18.025 1.00 45.10 C ATOM 723 CD LYS A 44 9.243 -4.409 -17.251 1.00 30.14 C ATOM 724 CE LYS A 44 10.177 -3.454 -17.978 1.00 73.14 C ATOM 725 NZ LYS A 44 11.596 -3.897 -17.897 1.00 42.31 N ATOM 0 H LYS A 44 8.978 -5.314 -21.529 1.00 13.51 H new ATOM 0 HA LYS A 44 8.471 -7.568 -19.716 1.00 62.01 H new ATOM 0 HB2 LYS A 44 8.210 -4.585 -19.640 1.00 10.23 H new ATOM 0 HB3 LYS A 44 7.040 -5.504 -18.714 1.00 10.23 H new ATOM 0 HG2 LYS A 44 8.726 -6.490 -17.346 1.00 45.10 H new ATOM 0 HG3 LYS A 44 10.011 -6.021 -18.442 1.00 45.10 H new ATOM 0 HD2 LYS A 44 8.276 -3.930 -17.101 1.00 30.14 H new ATOM 0 HD3 LYS A 44 9.645 -4.631 -16.262 1.00 30.14 H new ATOM 0 HE2 LYS A 44 9.879 -3.380 -19.024 1.00 73.14 H new ATOM 0 HE3 LYS A 44 10.083 -2.457 -17.548 1.00 73.14 H new ATOM 0 HZ1 LYS A 44 12.220 -3.118 -18.189 1.00 42.31 H new ATOM 0 HZ2 LYS A 44 11.819 -4.171 -16.919 1.00 42.31 H new ATOM 0 HZ3 LYS A 44 11.742 -4.712 -18.526 1.00 42.31 H new ATOM 739 N ALA A 45 6.420 -6.460 -21.930 1.00 61.33 N ATOM 740 CA ALA A 45 5.119 -6.661 -22.555 1.00 73.14 C ATOM 741 C ALA A 45 4.774 -8.144 -22.643 1.00 25.15 C ATOM 742 O ALA A 45 3.610 -8.529 -22.537 1.00 31.24 O ATOM 743 CB ALA A 45 5.095 -6.030 -23.939 1.00 40.54 C ATOM 0 H ALA A 45 7.083 -5.931 -22.496 1.00 61.33 H new ATOM 0 HA ALA A 45 4.367 -6.176 -21.933 1.00 73.14 H new ATOM 0 HB1 ALA A 45 4.117 -6.188 -24.394 1.00 40.54 H new ATOM 0 HB2 ALA A 45 5.288 -4.960 -23.855 1.00 40.54 H new ATOM 0 HB3 ALA A 45 5.863 -6.489 -24.561 1.00 40.54 H new ATOM 749 N LYS A 46 5.795 -8.973 -22.837 1.00 55.00 N ATOM 750 CA LYS A 46 5.601 -10.415 -22.938 1.00 50.42 C ATOM 751 C LYS A 46 4.910 -10.959 -21.692 1.00 74.54 C ATOM 752 O LYS A 46 4.015 -11.799 -21.786 1.00 24.52 O ATOM 753 CB LYS A 46 6.946 -11.118 -23.137 1.00 14.21 C ATOM 754 CG LYS A 46 7.955 -10.821 -22.042 1.00 1.44 C ATOM 755 CD LYS A 46 9.353 -11.266 -22.436 1.00 22.30 C ATOM 756 CE LYS A 46 9.897 -10.439 -23.591 1.00 0.04 C ATOM 757 NZ LYS A 46 11.377 -10.291 -23.518 1.00 61.44 N ATOM 0 H LYS A 46 6.765 -8.671 -22.927 1.00 55.00 H new ATOM 0 HA LYS A 46 4.964 -10.612 -23.800 1.00 50.42 H new ATOM 0 HB2 LYS A 46 6.780 -12.194 -23.185 1.00 14.21 H new ATOM 0 HB3 LYS A 46 7.365 -10.817 -24.097 1.00 14.21 H new ATOM 0 HG2 LYS A 46 7.959 -9.752 -21.830 1.00 1.44 H new ATOM 0 HG3 LYS A 46 7.656 -11.327 -21.124 1.00 1.44 H new ATOM 0 HD2 LYS A 46 10.019 -11.177 -21.578 1.00 22.30 H new ATOM 0 HD3 LYS A 46 9.335 -12.319 -22.718 1.00 22.30 H new ATOM 0 HE2 LYS A 46 9.625 -10.911 -24.535 1.00 0.04 H new ATOM 0 HE3 LYS A 46 9.432 -9.453 -23.582 1.00 0.04 H new ATOM 0 HZ1 LYS A 46 11.709 -9.721 -24.322 1.00 61.44 H new ATOM 0 HZ2 LYS A 46 11.635 -9.818 -22.629 1.00 61.44 H new ATOM 0 HZ3 LYS A 46 11.822 -11.230 -23.552 1.00 61.44 H new ATOM 771 N GLU A 47 5.329 -10.474 -20.528 1.00 64.41 N ATOM 772 CA GLU A 47 4.749 -10.913 -19.264 1.00 70.45 C ATOM 773 C GLU A 47 3.281 -10.508 -19.170 1.00 73.54 C ATOM 774 O GLU A 47 2.452 -11.252 -18.645 1.00 72.13 O ATOM 775 CB GLU A 47 5.528 -10.324 -18.087 1.00 45.43 C ATOM 776 CG GLU A 47 5.081 -10.852 -16.735 1.00 12.01 C ATOM 777 CD GLU A 47 4.969 -12.364 -16.707 1.00 51.03 C ATOM 778 OE1 GLU A 47 5.914 -13.038 -17.168 1.00 11.13 O ATOM 779 OE2 GLU A 47 3.936 -12.873 -16.224 1.00 74.05 O ATOM 0 H GLU A 47 6.068 -9.777 -20.434 1.00 64.41 H new ATOM 0 HA GLU A 47 4.812 -12.000 -19.223 1.00 70.45 H new ATOM 0 HB2 GLU A 47 6.588 -10.540 -18.219 1.00 45.43 H new ATOM 0 HB3 GLU A 47 5.420 -9.239 -18.098 1.00 45.43 H new ATOM 0 HG2 GLU A 47 5.789 -10.530 -15.971 1.00 12.01 H new ATOM 0 HG3 GLU A 47 4.116 -10.415 -16.480 1.00 12.01 H new ATOM 786 N LYS A 48 2.966 -9.324 -19.683 1.00 10.43 N ATOM 787 CA LYS A 48 1.599 -8.818 -19.658 1.00 53.33 C ATOM 788 C LYS A 48 0.714 -9.594 -20.628 1.00 71.13 C ATOM 789 O LYS A 48 -0.465 -9.824 -20.360 1.00 75.41 O ATOM 790 CB LYS A 48 1.577 -7.329 -20.012 1.00 5.11 C ATOM 791 CG LYS A 48 2.526 -6.491 -19.172 1.00 52.32 C ATOM 792 CD LYS A 48 2.235 -6.639 -17.688 1.00 44.51 C ATOM 793 CE LYS A 48 3.218 -5.840 -16.846 1.00 24.24 C ATOM 794 NZ LYS A 48 2.721 -4.464 -16.568 1.00 65.14 N ATOM 0 H LYS A 48 3.640 -8.696 -20.122 1.00 10.43 H new ATOM 0 HA LYS A 48 1.208 -8.951 -18.649 1.00 53.33 H new ATOM 0 HB2 LYS A 48 1.835 -7.210 -21.064 1.00 5.11 H new ATOM 0 HB3 LYS A 48 0.563 -6.949 -19.888 1.00 5.11 H new ATOM 0 HG2 LYS A 48 3.554 -6.791 -19.374 1.00 52.32 H new ATOM 0 HG3 LYS A 48 2.438 -5.443 -19.458 1.00 52.32 H new ATOM 0 HD2 LYS A 48 1.219 -6.303 -17.480 1.00 44.51 H new ATOM 0 HD3 LYS A 48 2.286 -7.691 -17.409 1.00 44.51 H new ATOM 0 HE2 LYS A 48 3.395 -6.359 -15.904 1.00 24.24 H new ATOM 0 HE3 LYS A 48 4.176 -5.782 -17.363 1.00 24.24 H new ATOM 0 HZ1 LYS A 48 3.420 -3.952 -15.992 1.00 65.14 H new ATOM 0 HZ2 LYS A 48 2.576 -3.959 -17.466 1.00 65.14 H new ATOM 0 HZ3 LYS A 48 1.820 -4.518 -16.052 1.00 65.14 H new ATOM 808 N PHE A 49 1.291 -9.997 -21.756 1.00 11.52 N ATOM 809 CA PHE A 49 0.554 -10.748 -22.766 1.00 4.14 C ATOM 810 C PHE A 49 0.014 -12.052 -22.186 1.00 71.04 C ATOM 811 O PHE A 49 -1.045 -12.532 -22.592 1.00 25.22 O ATOM 812 CB PHE A 49 1.453 -11.044 -23.968 1.00 25.44 C ATOM 813 CG PHE A 49 0.832 -11.980 -24.964 1.00 62.54 C ATOM 814 CD1 PHE A 49 0.087 -11.490 -26.025 1.00 1.15 C ATOM 815 CD2 PHE A 49 0.993 -13.351 -24.841 1.00 32.20 C ATOM 816 CE1 PHE A 49 -0.486 -12.348 -26.944 1.00 22.51 C ATOM 817 CE2 PHE A 49 0.423 -14.215 -25.757 1.00 52.44 C ATOM 818 CZ PHE A 49 -0.318 -13.713 -26.809 1.00 55.23 C ATOM 0 H PHE A 49 2.266 -9.816 -21.993 1.00 11.52 H new ATOM 0 HA PHE A 49 -0.289 -10.140 -23.093 1.00 4.14 H new ATOM 0 HB2 PHE A 49 1.700 -10.107 -24.467 1.00 25.44 H new ATOM 0 HB3 PHE A 49 2.390 -11.473 -23.614 1.00 25.44 H new ATOM 0 HD1 PHE A 49 -0.047 -10.424 -26.135 1.00 1.15 H new ATOM 0 HD2 PHE A 49 1.571 -13.749 -24.020 1.00 32.20 H new ATOM 0 HE1 PHE A 49 -1.064 -11.953 -27.766 1.00 22.51 H new ATOM 0 HE2 PHE A 49 0.557 -15.281 -25.650 1.00 52.44 H new ATOM 0 HZ PHE A 49 -0.765 -14.386 -27.525 1.00 55.23 H new ATOM 828 N SER A 50 0.749 -12.620 -21.236 1.00 64.21 N ATOM 829 CA SER A 50 0.347 -13.871 -20.604 1.00 22.14 C ATOM 830 C SER A 50 -0.881 -13.664 -19.723 1.00 74.11 C ATOM 831 O SER A 50 -1.718 -14.556 -19.589 1.00 33.35 O ATOM 832 CB SER A 50 1.497 -14.438 -19.769 1.00 3.21 C ATOM 833 OG SER A 50 1.279 -15.804 -19.462 1.00 4.15 O ATOM 0 H SER A 50 1.626 -12.234 -20.887 1.00 64.21 H new ATOM 0 HA SER A 50 0.094 -14.582 -21.391 1.00 22.14 H new ATOM 0 HB2 SER A 50 2.434 -14.330 -20.314 1.00 3.21 H new ATOM 0 HB3 SER A 50 1.597 -13.866 -18.846 1.00 3.21 H new ATOM 0 HG SER A 50 2.028 -16.143 -18.929 1.00 4.15 H new ATOM 839 N GLN A 51 -0.981 -12.481 -19.126 1.00 53.33 N ATOM 840 CA GLN A 51 -2.107 -12.156 -18.258 1.00 22.31 C ATOM 841 C GLN A 51 -3.421 -12.202 -19.030 1.00 71.13 C ATOM 842 O GLN A 51 -4.467 -12.545 -18.477 1.00 62.42 O ATOM 843 CB GLN A 51 -1.915 -10.772 -17.635 1.00 74.33 C ATOM 844 CG GLN A 51 -0.790 -10.715 -16.615 1.00 12.43 C ATOM 845 CD GLN A 51 -0.218 -9.320 -16.455 1.00 14.34 C ATOM 846 OE1 GLN A 51 -0.698 -8.366 -17.068 1.00 11.44 O ATOM 847 NE2 GLN A 51 0.813 -9.194 -15.627 1.00 54.43 N ATOM 0 H GLN A 51 -0.296 -11.732 -19.227 1.00 53.33 H new ATOM 0 HA GLN A 51 -2.148 -12.901 -17.464 1.00 22.31 H new ATOM 0 HB2 GLN A 51 -1.713 -10.051 -18.427 1.00 74.33 H new ATOM 0 HB3 GLN A 51 -2.845 -10.466 -17.155 1.00 74.33 H new ATOM 0 HG2 GLN A 51 -1.160 -11.065 -15.651 1.00 12.43 H new ATOM 0 HG3 GLN A 51 0.005 -11.397 -16.918 1.00 12.43 H new ATOM 0 HE21 GLN A 51 1.179 -10.012 -15.140 1.00 54.43 H new ATOM 0 HE22 GLN A 51 1.239 -8.279 -15.479 1.00 54.43 H new ATOM 856 N LEU A 52 -3.361 -11.854 -20.311 1.00 13.42 N ATOM 857 CA LEU A 52 -4.547 -11.855 -21.160 1.00 55.41 C ATOM 858 C LEU A 52 -5.120 -13.262 -21.295 1.00 23.03 C ATOM 859 O LEU A 52 -6.314 -13.479 -21.095 1.00 15.33 O ATOM 860 CB LEU A 52 -4.209 -11.295 -22.543 1.00 11.11 C ATOM 861 CG LEU A 52 -3.448 -9.969 -22.562 1.00 52.35 C ATOM 862 CD1 LEU A 52 -2.725 -9.788 -23.888 1.00 52.41 C ATOM 863 CD2 LEU A 52 -4.396 -8.806 -22.307 1.00 32.13 C ATOM 0 H LEU A 52 -2.504 -11.568 -20.784 1.00 13.42 H new ATOM 0 HA LEU A 52 -5.299 -11.220 -20.691 1.00 55.41 H new ATOM 0 HB2 LEU A 52 -3.618 -12.038 -23.079 1.00 11.11 H new ATOM 0 HB3 LEU A 52 -5.138 -11.166 -23.098 1.00 11.11 H new ATOM 0 HG LEU A 52 -2.705 -9.987 -21.765 1.00 52.35 H new ATOM 0 HD11 LEU A 52 -2.189 -8.839 -23.884 1.00 52.41 H new ATOM 0 HD12 LEU A 52 -2.017 -10.604 -24.031 1.00 52.41 H new ATOM 0 HD13 LEU A 52 -3.451 -9.791 -24.701 1.00 52.41 H new ATOM 0 HD21 LEU A 52 -3.837 -7.870 -22.324 1.00 32.13 H new ATOM 0 HD22 LEU A 52 -5.163 -8.785 -23.082 1.00 32.13 H new ATOM 0 HD23 LEU A 52 -4.868 -8.929 -21.332 1.00 32.13 H new ATOM 875 N ALA A 53 -4.258 -14.216 -21.633 1.00 11.31 N ATOM 876 CA ALA A 53 -4.677 -15.603 -21.790 1.00 1.02 C ATOM 877 C ALA A 53 -5.117 -16.198 -20.456 1.00 51.34 C ATOM 878 O ALA A 53 -6.015 -17.037 -20.408 1.00 32.32 O ATOM 879 CB ALA A 53 -3.550 -16.429 -22.392 1.00 75.44 C ATOM 0 H ALA A 53 -3.266 -14.053 -21.803 1.00 11.31 H new ATOM 0 HA ALA A 53 -5.531 -15.625 -22.467 1.00 1.02 H new ATOM 0 HB1 ALA A 53 -3.876 -17.463 -22.504 1.00 75.44 H new ATOM 0 HB2 ALA A 53 -3.284 -16.025 -23.369 1.00 75.44 H new ATOM 0 HB3 ALA A 53 -2.681 -16.392 -21.735 1.00 75.44 H new ATOM 885 N GLU A 54 -4.478 -15.757 -19.377 1.00 61.13 N ATOM 886 CA GLU A 54 -4.804 -16.248 -18.044 1.00 23.34 C ATOM 887 C GLU A 54 -6.223 -15.850 -17.649 1.00 30.21 C ATOM 888 O GLU A 54 -7.015 -16.686 -17.214 1.00 51.32 O ATOM 889 CB GLU A 54 -3.806 -15.705 -17.018 1.00 72.31 C ATOM 890 CG GLU A 54 -2.588 -16.592 -16.826 1.00 23.34 C ATOM 891 CD GLU A 54 -1.486 -15.908 -16.040 1.00 50.31 C ATOM 892 OE1 GLU A 54 -1.083 -14.793 -16.433 1.00 42.13 O ATOM 893 OE2 GLU A 54 -1.027 -16.486 -15.033 1.00 70.12 O ATOM 0 H GLU A 54 -3.732 -15.061 -19.400 1.00 61.13 H new ATOM 0 HA GLU A 54 -4.742 -17.336 -18.061 1.00 23.34 H new ATOM 0 HB2 GLU A 54 -3.478 -14.714 -17.332 1.00 72.31 H new ATOM 0 HB3 GLU A 54 -4.312 -15.584 -16.060 1.00 72.31 H new ATOM 0 HG2 GLU A 54 -2.885 -17.504 -16.309 1.00 23.34 H new ATOM 0 HG3 GLU A 54 -2.203 -16.890 -17.801 1.00 23.34 H new ATOM 900 N ALA A 55 -6.536 -14.568 -17.803 1.00 52.14 N ATOM 901 CA ALA A 55 -7.859 -14.059 -17.465 1.00 13.50 C ATOM 902 C ALA A 55 -8.904 -14.533 -18.470 1.00 3.21 C ATOM 903 O ALA A 55 -10.023 -14.886 -18.097 1.00 3.11 O ATOM 904 CB ALA A 55 -7.839 -12.539 -17.400 1.00 1.53 C ATOM 0 H ALA A 55 -5.891 -13.863 -18.160 1.00 52.14 H new ATOM 0 HA ALA A 55 -8.132 -14.451 -16.485 1.00 13.50 H new ATOM 0 HB1 ALA A 55 -8.834 -12.173 -17.147 1.00 1.53 H new ATOM 0 HB2 ALA A 55 -7.129 -12.217 -16.639 1.00 1.53 H new ATOM 0 HB3 ALA A 55 -7.540 -12.137 -18.368 1.00 1.53 H new ATOM 910 N TYR A 56 -8.531 -14.538 -19.745 1.00 14.31 N ATOM 911 CA TYR A 56 -9.438 -14.966 -20.804 1.00 45.30 C ATOM 912 C TYR A 56 -9.843 -16.425 -20.617 1.00 51.45 C ATOM 913 O TYR A 56 -10.916 -16.842 -21.052 1.00 41.33 O ATOM 914 CB TYR A 56 -8.781 -14.778 -22.173 1.00 24.44 C ATOM 915 CG TYR A 56 -9.485 -15.516 -23.289 1.00 32.24 C ATOM 916 CD1 TYR A 56 -10.547 -14.934 -23.970 1.00 71.42 C ATOM 917 CD2 TYR A 56 -9.090 -16.795 -23.661 1.00 30.13 C ATOM 918 CE1 TYR A 56 -11.195 -15.605 -24.990 1.00 45.20 C ATOM 919 CE2 TYR A 56 -9.731 -17.472 -24.680 1.00 65.32 C ATOM 920 CZ TYR A 56 -10.782 -16.873 -25.342 1.00 32.24 C ATOM 921 OH TYR A 56 -11.424 -17.545 -26.357 1.00 22.12 O ATOM 0 H TYR A 56 -7.608 -14.251 -20.070 1.00 14.31 H new ATOM 0 HA TYR A 56 -10.335 -14.349 -20.751 1.00 45.30 H new ATOM 0 HB2 TYR A 56 -8.755 -13.715 -22.411 1.00 24.44 H new ATOM 0 HB3 TYR A 56 -7.747 -15.118 -22.120 1.00 24.44 H new ATOM 0 HD1 TYR A 56 -10.872 -13.941 -23.698 1.00 71.42 H new ATOM 0 HD2 TYR A 56 -8.268 -17.268 -23.145 1.00 30.13 H new ATOM 0 HE1 TYR A 56 -12.020 -15.139 -25.508 1.00 45.20 H new ATOM 0 HE2 TYR A 56 -9.411 -18.466 -24.957 1.00 65.32 H new ATOM 0 HH TYR A 56 -11.010 -18.425 -26.480 1.00 22.12 H new ATOM 931 N GLU A 57 -8.976 -17.194 -19.967 1.00 33.51 N ATOM 932 CA GLU A 57 -9.244 -18.607 -19.722 1.00 42.15 C ATOM 933 C GLU A 57 -10.515 -18.785 -18.897 1.00 60.13 C ATOM 934 O GLU A 57 -11.373 -19.603 -19.228 1.00 34.45 O ATOM 935 CB GLU A 57 -8.060 -19.256 -19.002 1.00 40.22 C ATOM 936 CG GLU A 57 -7.207 -20.134 -19.902 1.00 43.54 C ATOM 937 CD GLU A 57 -6.399 -21.155 -19.126 1.00 30.05 C ATOM 938 OE1 GLU A 57 -5.437 -21.710 -19.696 1.00 72.12 O ATOM 939 OE2 GLU A 57 -6.729 -21.399 -17.946 1.00 14.20 O ATOM 0 H GLU A 57 -8.083 -16.864 -19.601 1.00 33.51 H new ATOM 0 HA GLU A 57 -9.386 -19.096 -20.686 1.00 42.15 H new ATOM 0 HB2 GLU A 57 -7.434 -18.474 -18.572 1.00 40.22 H new ATOM 0 HB3 GLU A 57 -8.435 -19.856 -18.173 1.00 40.22 H new ATOM 0 HG2 GLU A 57 -7.850 -20.651 -20.614 1.00 43.54 H new ATOM 0 HG3 GLU A 57 -6.531 -19.505 -20.481 1.00 43.54 H new ATOM 946 N VAL A 58 -10.628 -18.013 -17.821 1.00 60.01 N ATOM 947 CA VAL A 58 -11.794 -18.084 -16.948 1.00 64.21 C ATOM 948 C VAL A 58 -13.005 -17.419 -17.593 1.00 25.42 C ATOM 949 O VAL A 58 -14.117 -17.945 -17.540 1.00 31.43 O ATOM 950 CB VAL A 58 -11.518 -17.416 -15.588 1.00 41.52 C ATOM 951 CG1 VAL A 58 -12.671 -17.663 -14.628 1.00 14.41 C ATOM 952 CG2 VAL A 58 -10.208 -17.921 -15.002 1.00 51.33 C ATOM 0 H VAL A 58 -9.926 -17.331 -17.533 1.00 60.01 H new ATOM 0 HA VAL A 58 -12.006 -19.141 -16.788 1.00 64.21 H new ATOM 0 HB VAL A 58 -11.429 -16.341 -15.743 1.00 41.52 H new ATOM 0 HG11 VAL A 58 -12.458 -17.184 -13.673 1.00 14.41 H new ATOM 0 HG12 VAL A 58 -13.588 -17.248 -15.046 1.00 14.41 H new ATOM 0 HG13 VAL A 58 -12.795 -18.735 -14.476 1.00 14.41 H new ATOM 0 HG21 VAL A 58 -10.029 -17.438 -14.041 1.00 51.33 H new ATOM 0 HG22 VAL A 58 -10.265 -19.000 -14.861 1.00 51.33 H new ATOM 0 HG23 VAL A 58 -9.390 -17.687 -15.684 1.00 51.33 H new ATOM 962 N LEU A 59 -12.781 -16.260 -18.202 1.00 74.32 N ATOM 963 CA LEU A 59 -13.855 -15.522 -18.859 1.00 64.21 C ATOM 964 C LEU A 59 -14.315 -16.240 -20.124 1.00 23.23 C ATOM 965 O LEU A 59 -15.336 -15.887 -20.714 1.00 3.04 O ATOM 966 CB LEU A 59 -13.390 -14.106 -19.203 1.00 62.14 C ATOM 967 CG LEU A 59 -13.927 -12.987 -18.310 1.00 75.43 C ATOM 968 CD1 LEU A 59 -13.681 -13.310 -16.845 1.00 0.54 C ATOM 969 CD2 LEU A 59 -13.289 -11.656 -18.680 1.00 75.33 C ATOM 0 H LEU A 59 -11.867 -15.811 -18.255 1.00 74.32 H new ATOM 0 HA LEU A 59 -14.698 -15.464 -18.170 1.00 64.21 H new ATOM 0 HB2 LEU A 59 -12.301 -14.083 -19.164 1.00 62.14 H new ATOM 0 HB3 LEU A 59 -13.677 -13.891 -20.232 1.00 62.14 H new ATOM 0 HG LEU A 59 -15.003 -12.907 -18.467 1.00 75.43 H new ATOM 0 HD11 LEU A 59 -14.070 -12.503 -16.224 1.00 0.54 H new ATOM 0 HD12 LEU A 59 -14.186 -14.241 -16.588 1.00 0.54 H new ATOM 0 HD13 LEU A 59 -12.610 -13.418 -16.671 1.00 0.54 H new ATOM 0 HD21 LEU A 59 -13.683 -10.871 -18.034 1.00 75.33 H new ATOM 0 HD22 LEU A 59 -12.209 -11.722 -18.552 1.00 75.33 H new ATOM 0 HD23 LEU A 59 -13.518 -11.419 -19.719 1.00 75.33 H new ATOM 981 N SER A 60 -13.555 -17.251 -20.533 1.00 73.35 N ATOM 982 CA SER A 60 -13.884 -18.019 -21.729 1.00 51.41 C ATOM 983 C SER A 60 -15.075 -18.937 -21.474 1.00 71.54 C ATOM 984 O SER A 60 -15.647 -19.503 -22.406 1.00 71.33 O ATOM 985 CB SER A 60 -12.677 -18.843 -22.180 1.00 3.02 C ATOM 986 OG SER A 60 -13.050 -19.806 -23.150 1.00 31.01 O ATOM 0 H SER A 60 -12.708 -17.557 -20.054 1.00 73.35 H new ATOM 0 HA SER A 60 -14.151 -17.318 -22.519 1.00 51.41 H new ATOM 0 HB2 SER A 60 -11.916 -18.182 -22.594 1.00 3.02 H new ATOM 0 HB3 SER A 60 -12.232 -19.343 -21.320 1.00 3.02 H new ATOM 0 HG SER A 60 -14.027 -19.853 -23.206 1.00 31.01 H new ATOM 992 N ASP A 61 -15.443 -19.081 -20.206 1.00 42.20 N ATOM 993 CA ASP A 61 -16.566 -19.930 -19.827 1.00 13.21 C ATOM 994 C ASP A 61 -17.420 -19.256 -18.757 1.00 51.24 C ATOM 995 O ASP A 61 -16.907 -18.804 -17.734 1.00 61.13 O ATOM 996 CB ASP A 61 -16.063 -21.281 -19.318 1.00 62.52 C ATOM 997 CG ASP A 61 -16.980 -22.424 -19.706 1.00 71.44 C ATOM 998 OD1 ASP A 61 -16.954 -22.832 -20.887 1.00 24.33 O ATOM 999 OD2 ASP A 61 -17.724 -22.912 -18.830 1.00 1.42 O ATOM 0 H ASP A 61 -14.980 -18.620 -19.423 1.00 42.20 H new ATOM 0 HA ASP A 61 -17.183 -20.090 -20.711 1.00 13.21 H new ATOM 0 HB2 ASP A 61 -15.066 -21.468 -19.717 1.00 62.52 H new ATOM 0 HB3 ASP A 61 -15.971 -21.246 -18.232 1.00 62.52 H new ATOM 1004 N GLU A 62 -18.725 -19.191 -19.003 1.00 31.43 N ATOM 1005 CA GLU A 62 -19.649 -18.571 -18.061 1.00 0.52 C ATOM 1006 C GLU A 62 -19.514 -19.195 -16.675 1.00 12.31 C ATOM 1007 O GLU A 62 -19.540 -18.496 -15.662 1.00 11.23 O ATOM 1008 CB GLU A 62 -21.089 -18.711 -18.558 1.00 14.25 C ATOM 1009 CG GLU A 62 -21.280 -18.281 -20.002 1.00 44.14 C ATOM 1010 CD GLU A 62 -22.737 -18.267 -20.420 1.00 14.22 C ATOM 1011 OE1 GLU A 62 -23.459 -17.329 -20.021 1.00 11.14 O ATOM 1012 OE2 GLU A 62 -23.156 -19.193 -21.145 1.00 15.12 O ATOM 0 H GLU A 62 -19.166 -19.560 -19.846 1.00 31.43 H new ATOM 0 HA GLU A 62 -19.399 -17.513 -17.989 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -21.401 -19.750 -18.453 1.00 14.25 H new ATOM 0 HB3 GLU A 62 -21.743 -18.116 -17.921 1.00 14.25 H new ATOM 0 HG2 GLU A 62 -20.857 -17.286 -20.139 1.00 44.14 H new ATOM 0 HG3 GLU A 62 -20.726 -18.956 -20.654 1.00 44.14 H new ATOM 1019 N VAL A 63 -19.371 -20.516 -16.639 1.00 1.34 N ATOM 1020 CA VAL A 63 -19.232 -21.235 -15.378 1.00 64.32 C ATOM 1021 C VAL A 63 -17.969 -20.808 -14.638 1.00 63.54 C ATOM 1022 O VAL A 63 -18.014 -20.463 -13.458 1.00 10.04 O ATOM 1023 CB VAL A 63 -19.192 -22.759 -15.603 1.00 4.50 C ATOM 1024 CG1 VAL A 63 -19.225 -23.496 -14.273 1.00 11.21 C ATOM 1025 CG2 VAL A 63 -20.345 -23.196 -16.493 1.00 40.34 C ATOM 0 H VAL A 63 -19.348 -21.110 -17.468 1.00 1.34 H new ATOM 0 HA VAL A 63 -20.105 -20.987 -14.774 1.00 64.32 H new ATOM 0 HB VAL A 63 -18.259 -23.010 -16.107 1.00 4.50 H new ATOM 0 HG11 VAL A 63 -19.196 -24.571 -14.452 1.00 11.21 H new ATOM 0 HG12 VAL A 63 -18.362 -23.204 -13.674 1.00 11.21 H new ATOM 0 HG13 VAL A 63 -20.140 -23.242 -13.739 1.00 11.21 H new ATOM 0 HG21 VAL A 63 -20.301 -24.275 -16.641 1.00 40.34 H new ATOM 0 HG22 VAL A 63 -21.291 -22.933 -16.019 1.00 40.34 H new ATOM 0 HG23 VAL A 63 -20.271 -22.694 -17.458 1.00 40.34 H new ATOM 1035 N LYS A 64 -16.841 -20.834 -15.341 1.00 31.12 N ATOM 1036 CA LYS A 64 -15.564 -20.448 -14.753 1.00 21.23 C ATOM 1037 C LYS A 64 -15.590 -18.991 -14.303 1.00 33.05 C ATOM 1038 O LYS A 64 -15.118 -18.659 -13.215 1.00 51.12 O ATOM 1039 CB LYS A 64 -14.431 -20.662 -15.759 1.00 5.15 C ATOM 1040 CG LYS A 64 -14.068 -22.122 -15.965 1.00 23.42 C ATOM 1041 CD LYS A 64 -12.590 -22.291 -16.276 1.00 20.34 C ATOM 1042 CE LYS A 64 -11.727 -21.996 -15.058 1.00 51.44 C ATOM 1043 NZ LYS A 64 -11.419 -23.230 -14.284 1.00 43.22 N ATOM 0 H LYS A 64 -16.786 -21.119 -16.319 1.00 31.12 H new ATOM 0 HA LYS A 64 -15.390 -21.076 -13.879 1.00 21.23 H new ATOM 0 HB2 LYS A 64 -14.720 -20.230 -16.717 1.00 5.15 H new ATOM 0 HB3 LYS A 64 -13.548 -20.121 -15.419 1.00 5.15 H new ATOM 0 HG2 LYS A 64 -14.320 -22.690 -15.069 1.00 23.42 H new ATOM 0 HG3 LYS A 64 -14.662 -22.534 -16.781 1.00 23.42 H new ATOM 0 HD2 LYS A 64 -12.403 -23.309 -16.618 1.00 20.34 H new ATOM 0 HD3 LYS A 64 -12.310 -21.624 -17.092 1.00 20.34 H new ATOM 0 HE2 LYS A 64 -10.797 -21.526 -15.377 1.00 51.44 H new ATOM 0 HE3 LYS A 64 -12.240 -21.282 -14.414 1.00 51.44 H new ATOM 0 HZ1 LYS A 64 -10.829 -22.986 -13.463 1.00 43.22 H new ATOM 0 HZ2 LYS A 64 -12.305 -23.665 -13.957 1.00 43.22 H new ATOM 0 HZ3 LYS A 64 -10.907 -23.902 -14.891 1.00 43.22 H new ATOM 1057 N ARG A 65 -16.146 -18.126 -15.145 1.00 32.32 N ATOM 1058 CA ARG A 65 -16.234 -16.705 -14.833 1.00 11.22 C ATOM 1059 C ARG A 65 -17.138 -16.468 -13.627 1.00 11.15 C ATOM 1060 O ARG A 65 -16.779 -15.739 -12.701 1.00 71.14 O ATOM 1061 CB ARG A 65 -16.762 -15.928 -16.040 1.00 15.31 C ATOM 1062 CG ARG A 65 -16.921 -14.438 -15.783 1.00 75.12 C ATOM 1063 CD ARG A 65 -17.446 -13.714 -17.013 1.00 44.42 C ATOM 1064 NE ARG A 65 -18.838 -14.053 -17.296 1.00 44.44 N ATOM 1065 CZ ARG A 65 -19.422 -13.840 -18.470 1.00 45.05 C ATOM 1066 NH1 ARG A 65 -18.737 -13.293 -19.465 1.00 53.55 N ATOM 1067 NH2 ARG A 65 -20.692 -14.176 -18.651 1.00 55.32 N ATOM 0 H ARG A 65 -16.542 -18.385 -16.049 1.00 32.32 H new ATOM 0 HA ARG A 65 -15.233 -16.349 -14.590 1.00 11.22 H new ATOM 0 HB2 ARG A 65 -16.083 -16.073 -16.880 1.00 15.31 H new ATOM 0 HB3 ARG A 65 -17.726 -16.342 -16.335 1.00 15.31 H new ATOM 0 HG2 ARG A 65 -17.605 -14.282 -14.948 1.00 75.12 H new ATOM 0 HG3 ARG A 65 -15.960 -14.013 -15.492 1.00 75.12 H new ATOM 0 HD2 ARG A 65 -17.358 -12.638 -16.865 1.00 44.42 H new ATOM 0 HD3 ARG A 65 -16.829 -13.969 -17.874 1.00 44.42 H new ATOM 0 HE ARG A 65 -19.392 -14.476 -16.552 1.00 44.44 H new ATOM 0 HH11 ARG A 65 -17.760 -13.035 -19.330 1.00 53.55 H new ATOM 0 HH12 ARG A 65 -19.188 -13.130 -20.366 1.00 53.55 H new ATOM 0 HH21 ARG A 65 -21.221 -14.598 -17.888 1.00 55.32 H new ATOM 0 HH22 ARG A 65 -21.139 -14.012 -19.553 1.00 55.32 H new ATOM 1081 N LYS A 66 -18.313 -17.088 -13.643 1.00 70.04 N ATOM 1082 CA LYS A 66 -19.269 -16.946 -12.552 1.00 32.43 C ATOM 1083 C LYS A 66 -18.694 -17.496 -11.250 1.00 74.12 C ATOM 1084 O LYS A 66 -18.813 -16.871 -10.197 1.00 4.12 O ATOM 1085 CB LYS A 66 -20.574 -17.671 -12.892 1.00 3.23 C ATOM 1086 CG LYS A 66 -21.397 -16.972 -13.960 1.00 20.02 C ATOM 1087 CD LYS A 66 -22.001 -15.678 -13.441 1.00 3.23 C ATOM 1088 CE LYS A 66 -22.137 -14.643 -14.547 1.00 45.01 C ATOM 1089 NZ LYS A 66 -23.260 -14.962 -15.470 1.00 74.34 N ATOM 0 H LYS A 66 -18.626 -17.695 -14.401 1.00 70.04 H new ATOM 0 HA LYS A 66 -19.475 -15.884 -12.418 1.00 32.43 H new ATOM 0 HB2 LYS A 66 -20.342 -18.682 -13.228 1.00 3.23 H new ATOM 0 HB3 LYS A 66 -21.174 -17.766 -11.987 1.00 3.23 H new ATOM 0 HG2 LYS A 66 -20.768 -16.760 -14.824 1.00 20.02 H new ATOM 0 HG3 LYS A 66 -22.192 -17.635 -14.300 1.00 20.02 H new ATOM 0 HD2 LYS A 66 -22.981 -15.880 -13.008 1.00 3.23 H new ATOM 0 HD3 LYS A 66 -21.376 -15.278 -12.642 1.00 3.23 H new ATOM 0 HE2 LYS A 66 -22.298 -13.659 -14.106 1.00 45.01 H new ATOM 0 HE3 LYS A 66 -21.206 -14.591 -15.112 1.00 45.01 H new ATOM 0 HZ1 LYS A 66 -23.319 -14.233 -16.209 1.00 74.34 H new ATOM 0 HZ2 LYS A 66 -23.095 -15.889 -15.911 1.00 74.34 H new ATOM 0 HZ3 LYS A 66 -24.152 -14.987 -14.936 1.00 74.34 H new ATOM 1103 N GLN A 67 -18.072 -18.667 -11.332 1.00 25.33 N ATOM 1104 CA GLN A 67 -17.478 -19.300 -10.159 1.00 40.45 C ATOM 1105 C GLN A 67 -16.421 -18.397 -9.531 1.00 34.23 C ATOM 1106 O GLN A 67 -16.395 -18.210 -8.314 1.00 23.40 O ATOM 1107 CB GLN A 67 -16.856 -20.645 -10.539 1.00 54.32 C ATOM 1108 CG GLN A 67 -17.867 -21.776 -10.636 1.00 30.21 C ATOM 1109 CD GLN A 67 -18.677 -21.946 -9.366 1.00 3.25 C ATOM 1110 OE1 GLN A 67 -18.243 -22.609 -8.423 1.00 71.22 O ATOM 1111 NE2 GLN A 67 -19.861 -21.345 -9.333 1.00 65.11 N ATOM 0 H GLN A 67 -17.966 -19.197 -12.197 1.00 25.33 H new ATOM 0 HA GLN A 67 -18.269 -19.467 -9.428 1.00 40.45 H new ATOM 0 HB2 GLN A 67 -16.345 -20.542 -11.496 1.00 54.32 H new ATOM 0 HB3 GLN A 67 -16.099 -20.908 -9.800 1.00 54.32 H new ATOM 0 HG2 GLN A 67 -18.542 -21.584 -11.470 1.00 30.21 H new ATOM 0 HG3 GLN A 67 -17.345 -22.707 -10.857 1.00 30.21 H new ATOM 0 HE21 GLN A 67 -20.182 -20.805 -10.137 1.00 65.11 H new ATOM 0 HE22 GLN A 67 -20.450 -21.423 -8.504 1.00 65.11 H new ATOM 1120 N TYR A 68 -15.552 -17.841 -10.367 1.00 55.51 N ATOM 1121 CA TYR A 68 -14.492 -16.960 -9.893 1.00 3.23 C ATOM 1122 C TYR A 68 -15.073 -15.720 -9.220 1.00 31.12 C ATOM 1123 O TYR A 68 -14.514 -15.206 -8.251 1.00 43.32 O ATOM 1124 CB TYR A 68 -13.586 -16.546 -11.054 1.00 32.11 C ATOM 1125 CG TYR A 68 -12.588 -15.471 -10.690 1.00 3.43 C ATOM 1126 CD1 TYR A 68 -11.419 -15.783 -10.006 1.00 61.23 C ATOM 1127 CD2 TYR A 68 -12.813 -14.142 -11.028 1.00 72.10 C ATOM 1128 CE1 TYR A 68 -10.504 -14.804 -9.671 1.00 10.03 C ATOM 1129 CE2 TYR A 68 -11.903 -13.157 -10.698 1.00 13.41 C ATOM 1130 CZ TYR A 68 -10.750 -13.492 -10.019 1.00 74.42 C ATOM 1131 OH TYR A 68 -9.842 -12.513 -9.687 1.00 72.43 O ATOM 0 H TYR A 68 -15.561 -17.985 -11.377 1.00 55.51 H new ATOM 0 HA TYR A 68 -13.902 -17.508 -9.158 1.00 3.23 H new ATOM 0 HB2 TYR A 68 -13.048 -17.423 -11.414 1.00 32.11 H new ATOM 0 HB3 TYR A 68 -14.205 -16.191 -11.878 1.00 32.11 H new ATOM 0 HD1 TYR A 68 -11.223 -16.809 -9.732 1.00 61.23 H new ATOM 0 HD2 TYR A 68 -13.715 -13.875 -11.558 1.00 72.10 H new ATOM 0 HE1 TYR A 68 -9.601 -15.064 -9.139 1.00 10.03 H new ATOM 0 HE2 TYR A 68 -12.093 -12.129 -10.970 1.00 13.41 H new ATOM 0 HH TYR A 68 -10.166 -11.645 -10.006 1.00 72.43 H new ATOM 1141 N ASP A 69 -16.200 -15.246 -9.740 1.00 63.32 N ATOM 1142 CA ASP A 69 -16.860 -14.068 -9.190 1.00 42.01 C ATOM 1143 C ASP A 69 -17.307 -14.317 -7.753 1.00 52.11 C ATOM 1144 O ASP A 69 -17.342 -13.398 -6.936 1.00 13.25 O ATOM 1145 CB ASP A 69 -18.063 -13.682 -10.052 1.00 43.22 C ATOM 1146 CG ASP A 69 -17.699 -12.694 -11.144 1.00 35.33 C ATOM 1147 OD1 ASP A 69 -18.520 -11.797 -11.428 1.00 44.11 O ATOM 1148 OD2 ASP A 69 -16.595 -12.820 -11.714 1.00 54.52 O ATOM 0 H ASP A 69 -16.676 -15.660 -10.542 1.00 63.32 H new ATOM 0 HA ASP A 69 -16.144 -13.247 -9.191 1.00 42.01 H new ATOM 0 HB2 ASP A 69 -18.486 -14.579 -10.504 1.00 43.22 H new ATOM 0 HB3 ASP A 69 -18.837 -13.250 -9.418 1.00 43.22 H new ATOM 1153 N ALA A 70 -17.649 -15.566 -7.453 1.00 52.41 N ATOM 1154 CA ALA A 70 -18.093 -15.936 -6.115 1.00 54.40 C ATOM 1155 C ALA A 70 -17.007 -15.662 -5.081 1.00 1.14 C ATOM 1156 O ALA A 70 -17.298 -15.420 -3.909 1.00 74.30 O ATOM 1157 CB ALA A 70 -18.501 -17.401 -6.080 1.00 64.25 C ATOM 0 H ALA A 70 -17.627 -16.338 -8.119 1.00 52.41 H new ATOM 0 HA ALA A 70 -18.959 -15.324 -5.864 1.00 54.40 H new ATOM 0 HB1 ALA A 70 -18.830 -17.663 -5.075 1.00 64.25 H new ATOM 0 HB2 ALA A 70 -19.316 -17.569 -6.784 1.00 64.25 H new ATOM 0 HB3 ALA A 70 -17.649 -18.023 -6.356 1.00 64.25 H new ATOM 1163 N TYR A 71 -15.754 -15.702 -5.521 1.00 13.03 N ATOM 1164 CA TYR A 71 -14.624 -15.461 -4.632 1.00 22.32 C ATOM 1165 C TYR A 71 -13.978 -14.110 -4.925 1.00 33.41 C ATOM 1166 O TYR A 71 -13.189 -13.601 -4.130 1.00 72.12 O ATOM 1167 CB TYR A 71 -13.587 -16.577 -4.777 1.00 53.32 C ATOM 1168 CG TYR A 71 -13.322 -17.328 -3.492 1.00 72.33 C ATOM 1169 CD1 TYR A 71 -12.069 -17.298 -2.893 1.00 61.30 C ATOM 1170 CD2 TYR A 71 -14.324 -18.069 -2.878 1.00 73.10 C ATOM 1171 CE1 TYR A 71 -11.822 -17.984 -1.719 1.00 43.04 C ATOM 1172 CE2 TYR A 71 -14.087 -18.756 -1.704 1.00 24.54 C ATOM 1173 CZ TYR A 71 -12.834 -18.711 -1.128 1.00 62.14 C ATOM 1174 OH TYR A 71 -12.593 -19.396 0.041 1.00 44.33 O ATOM 0 H TYR A 71 -15.496 -15.899 -6.488 1.00 13.03 H new ATOM 0 HA TYR A 71 -14.996 -15.450 -3.608 1.00 22.32 H new ATOM 0 HB2 TYR A 71 -13.927 -17.281 -5.536 1.00 53.32 H new ATOM 0 HB3 TYR A 71 -12.652 -16.148 -5.137 1.00 53.32 H new ATOM 0 HD1 TYR A 71 -11.274 -16.729 -3.353 1.00 61.30 H new ATOM 0 HD2 TYR A 71 -15.306 -18.108 -3.327 1.00 73.10 H new ATOM 0 HE1 TYR A 71 -10.842 -17.951 -1.267 1.00 43.04 H new ATOM 0 HE2 TYR A 71 -14.878 -19.326 -1.239 1.00 24.54 H new ATOM 0 HH TYR A 71 -13.411 -19.855 0.325 1.00 44.33 H new ATOM 1184 N GLY A 72 -14.321 -13.535 -6.073 1.00 40.34 N ATOM 1185 CA GLY A 72 -13.767 -12.248 -6.452 1.00 71.05 C ATOM 1186 C GLY A 72 -14.536 -11.087 -5.854 1.00 52.24 C ATOM 1187 O GLY A 72 -15.720 -11.213 -5.540 1.00 64.41 O ATOM 0 H GLY A 72 -14.972 -13.937 -6.747 1.00 40.34 H new ATOM 0 HA2 GLY A 72 -12.727 -12.195 -6.131 1.00 71.05 H new ATOM 0 HA3 GLY A 72 -13.770 -12.160 -7.538 1.00 71.05 H new ATOM 1191 N SER A 73 -13.863 -9.952 -5.695 1.00 65.10 N ATOM 1192 CA SER A 73 -14.489 -8.765 -5.125 1.00 43.12 C ATOM 1193 C SER A 73 -15.022 -7.851 -6.225 1.00 30.35 C ATOM 1194 O SER A 73 -16.005 -7.138 -6.030 1.00 3.12 O ATOM 1195 CB SER A 73 -13.488 -8.003 -4.254 1.00 32.01 C ATOM 1196 OG SER A 73 -13.209 -8.712 -3.059 1.00 64.23 O ATOM 0 H SER A 73 -12.884 -9.829 -5.953 1.00 65.10 H new ATOM 0 HA SER A 73 -15.327 -9.087 -4.506 1.00 43.12 H new ATOM 0 HB2 SER A 73 -12.564 -7.844 -4.810 1.00 32.01 H new ATOM 0 HB3 SER A 73 -13.888 -7.018 -4.012 1.00 32.01 H new ATOM 0 HG SER A 73 -12.566 -8.205 -2.521 1.00 64.23 H new TER 1202 SER A 73