USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 570 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 26 TYR OH : rot 19:sc= 0.378 USER MOD Set 1.2: A 49 SER OG : rot 81:sc= 1.6 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -167:sc= 0.592 (180deg=0) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 0.535 USER MOD Set 3.1: A 14 SER OG : rot -126:sc= 1.28 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 1.04 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.977) USER MOD Single : A 5 THR OG1 : rot 93:sc= 0.589 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -5:sc= 1.21 USER MOD Single : A 18 ASN : amide:sc= -0.244! C(o=-0.24!,f=-9.5!) USER MOD Single : A 20 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-0.92) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.13) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.693 K(o=0.69,f=-6.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 141:sc= 0.21 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00418 X(o=-0.0042,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 1.01 (180deg=1.01) USER MOD Single : A 64 TYR OH : rot -31:sc= 0.264 USER MOD Single : A 66 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.2) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 -2.221 -13.073 -5.761 1.00 0.00 N ATOM 12 CA VAL A 2 -2.868 -11.974 -6.470 1.00 0.00 C ATOM 13 C VAL A 2 -2.296 -11.810 -7.871 1.00 0.00 C ATOM 14 O VAL A 2 -1.212 -12.311 -8.173 1.00 0.00 O ATOM 15 CB VAL A 2 -2.695 -10.659 -5.689 1.00 0.00 C ATOM 16 CG1 VAL A 2 -3.359 -10.757 -4.323 1.00 0.00 C ATOM 17 CG2 VAL A 2 -1.217 -10.332 -5.547 1.00 0.00 C ATOM 0 HA VAL A 2 -3.929 -12.212 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.179 -9.854 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.226 -9.818 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.423 -10.955 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.904 -11.568 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.102 -9.400 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.716 -11.137 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.772 -10.224 -6.536 1.00 0.00 H new ATOM 27 N LYS A 3 -3.029 -11.104 -8.726 1.00 0.00 N ATOM 28 CA LYS A 3 -2.577 -10.840 -10.086 1.00 0.00 C ATOM 29 C LYS A 3 -1.382 -9.895 -10.096 1.00 0.00 C ATOM 30 O LYS A 3 -0.310 -10.239 -10.593 1.00 0.00 O ATOM 31 CB LYS A 3 -3.716 -10.257 -10.924 1.00 0.00 C ATOM 32 CG LYS A 3 -3.339 -9.945 -12.368 1.00 0.00 C ATOM 33 CD LYS A 3 -4.533 -9.416 -13.149 1.00 0.00 C ATOM 34 CE LYS A 3 -4.131 -8.987 -14.552 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.284 -8.438 -15.316 1.00 0.00 N ATOM 0 H LYS A 3 -3.940 -10.704 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.264 -11.788 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.549 -10.960 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.070 -9.343 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.535 -9.209 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.957 -10.845 -12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.301 -10.187 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.971 -8.570 -12.619 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.345 -8.234 -14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.714 -9.840 -15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.946 -8.034 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.963 -9.200 -15.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.750 -7.696 -14.756 1.00 0.00 H new ATOM 49 N GLU A 4 -1.575 -8.701 -9.545 1.00 0.00 N ATOM 50 CA GLU A 4 -0.506 -7.712 -9.468 1.00 0.00 C ATOM 51 C GLU A 4 -0.025 -7.529 -8.036 1.00 0.00 C ATOM 52 O GLU A 4 -0.805 -7.635 -7.090 1.00 0.00 O ATOM 53 CB GLU A 4 -0.981 -6.370 -10.033 1.00 0.00 C ATOM 54 CG GLU A 4 -1.316 -6.396 -11.517 1.00 0.00 C ATOM 55 CD GLU A 4 -1.774 -5.060 -12.036 1.00 0.00 C ATOM 56 OE1 GLU A 4 -1.911 -4.153 -11.251 1.00 0.00 O ATOM 57 OE2 GLU A 4 -1.983 -4.946 -13.221 1.00 0.00 O ATOM 0 H GLU A 4 -2.462 -8.395 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 4 0.330 -8.078 -10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.863 -6.048 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.207 -5.623 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.438 -6.716 -12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.096 -7.137 -11.696 1.00 0.00 H new ATOM 64 N THR A 5 1.266 -7.254 -7.880 1.00 0.00 N ATOM 65 CA THR A 5 1.857 -7.071 -6.560 1.00 0.00 C ATOM 66 C THR A 5 2.359 -5.644 -6.375 1.00 0.00 C ATOM 67 O THR A 5 2.974 -5.320 -5.360 1.00 0.00 O ATOM 68 CB THR A 5 3.015 -8.059 -6.330 1.00 0.00 C ATOM 69 OG1 THR A 5 4.050 -7.822 -7.292 1.00 0.00 O ATOM 70 CG2 THR A 5 2.525 -9.493 -6.459 1.00 0.00 C ATOM 0 H THR A 5 1.924 -7.153 -8.653 1.00 0.00 H new ATOM 0 HA THR A 5 1.075 -7.266 -5.826 1.00 0.00 H new ATOM 0 HB THR A 5 3.406 -7.908 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.705 -7.196 -6.920 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.357 -10.178 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.748 -9.680 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.119 -9.650 -7.458 1.00 0.00 H new ATOM 78 N LYS A 6 2.091 -4.796 -7.362 1.00 0.00 N ATOM 79 CA LYS A 6 2.637 -3.444 -7.380 1.00 0.00 C ATOM 80 C LYS A 6 2.349 -2.715 -6.072 1.00 0.00 C ATOM 81 O LYS A 6 3.252 -2.152 -5.452 1.00 0.00 O ATOM 82 CB LYS A 6 2.071 -2.652 -8.558 1.00 0.00 C ATOM 83 CG LYS A 6 2.610 -1.233 -8.681 1.00 0.00 C ATOM 84 CD LYS A 6 2.072 -0.544 -9.927 1.00 0.00 C ATOM 85 CE LYS A 6 2.599 0.880 -10.042 1.00 0.00 C ATOM 86 NZ LYS A 6 2.150 1.539 -11.298 1.00 0.00 N ATOM 0 H LYS A 6 1.498 -5.021 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 6 3.718 -3.524 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.288 -3.191 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.986 -2.608 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.333 -0.659 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.699 -1.257 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.358 -1.113 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.983 -0.530 -9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.260 1.463 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.688 0.868 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.530 2.506 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.495 0.998 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.111 1.574 -11.319 1.00 0.00 H new ATOM 100 N LEU A 7 1.086 -2.730 -5.659 1.00 0.00 N ATOM 101 CA LEU A 7 0.661 -1.995 -4.474 1.00 0.00 C ATOM 102 C LEU A 7 1.170 -2.661 -3.202 1.00 0.00 C ATOM 103 O LEU A 7 1.463 -1.988 -2.213 1.00 0.00 O ATOM 104 CB LEU A 7 -0.870 -1.902 -4.431 1.00 0.00 C ATOM 105 CG LEU A 7 -1.524 -1.135 -5.589 1.00 0.00 C ATOM 106 CD1 LEU A 7 -3.030 -1.076 -5.374 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.927 0.262 -5.673 1.00 0.00 C ATOM 0 H LEU A 7 0.339 -3.243 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 7 1.085 -0.992 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.277 -2.913 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.160 -1.426 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.332 -1.648 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.494 -0.531 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.432 -2.088 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.244 -0.566 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.391 0.807 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.108 0.792 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.147 0.189 -5.846 1.00 0.00 H new ATOM 119 N TYR A 8 1.274 -3.985 -3.233 1.00 0.00 N ATOM 120 CA TYR A 8 1.829 -4.735 -2.113 1.00 0.00 C ATOM 121 C TYR A 8 3.323 -4.481 -1.967 1.00 0.00 C ATOM 122 O TYR A 8 3.855 -4.469 -0.856 1.00 0.00 O ATOM 123 CB TYR A 8 1.561 -6.232 -2.288 1.00 0.00 C ATOM 124 CG TYR A 8 0.097 -6.605 -2.191 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.597 -6.986 -3.330 1.00 0.00 C ATOM 126 CD2 TYR A 8 -0.550 -6.564 -0.965 1.00 0.00 C ATOM 127 CE1 TYR A 8 -1.934 -7.327 -3.242 1.00 0.00 C ATOM 128 CE2 TYR A 8 -1.886 -6.904 -0.878 1.00 0.00 C ATOM 129 CZ TYR A 8 -2.576 -7.284 -2.010 1.00 0.00 C ATOM 130 OH TYR A 8 -3.907 -7.623 -1.923 1.00 0.00 O ATOM 0 H TYR A 8 0.981 -4.561 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 8 1.337 -4.392 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.944 -6.549 -3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.118 -6.783 -1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.093 -7.016 -4.285 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.009 -6.266 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.477 -7.625 -4.127 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.390 -6.872 0.077 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.262 -7.788 -2.821 1.00 0.00 H new ATOM 140 N ASP A 9 3.998 -4.278 -3.093 1.00 0.00 N ATOM 141 CA ASP A 9 5.430 -4.007 -3.091 1.00 0.00 C ATOM 142 C ASP A 9 5.722 -2.588 -2.619 1.00 0.00 C ATOM 143 O ASP A 9 6.730 -2.338 -1.961 1.00 0.00 O ATOM 144 CB ASP A 9 6.019 -4.218 -4.488 1.00 0.00 C ATOM 145 CG ASP A 9 6.022 -5.680 -4.915 1.00 0.00 C ATOM 146 OD1 ASP A 9 6.063 -6.529 -4.057 1.00 0.00 O ATOM 147 OD2 ASP A 9 5.985 -5.933 -6.096 1.00 0.00 O ATOM 0 H ASP A 9 3.575 -4.296 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 9 5.897 -4.705 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.447 -3.635 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.040 -3.837 -4.508 1.00 0.00 H new ATOM 152 N LEU A 10 4.831 -1.663 -2.960 1.00 0.00 N ATOM 153 CA LEU A 10 4.929 -0.291 -2.476 1.00 0.00 C ATOM 154 C LEU A 10 4.817 -0.234 -0.957 1.00 0.00 C ATOM 155 O LEU A 10 5.545 0.509 -0.300 1.00 0.00 O ATOM 156 CB LEU A 10 3.832 0.573 -3.108 1.00 0.00 C ATOM 157 CG LEU A 10 4.017 0.900 -4.595 1.00 0.00 C ATOM 158 CD1 LEU A 10 2.760 1.576 -5.128 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.234 1.795 -4.771 1.00 0.00 C ATOM 0 H LEU A 10 4.033 -1.839 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 10 5.906 0.097 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.877 0.063 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.768 1.510 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 10 4.180 -0.018 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.892 1.808 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.908 0.907 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.579 2.497 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.365 2.027 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.090 2.719 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.121 1.281 -4.400 1.00 0.00 H new ATOM 171 N LEU A 11 3.900 -1.021 -0.407 1.00 0.00 N ATOM 172 CA LEU A 11 3.713 -1.085 1.038 1.00 0.00 C ATOM 173 C LEU A 11 4.776 -1.957 1.693 1.00 0.00 C ATOM 174 O LEU A 11 5.146 -1.738 2.847 1.00 0.00 O ATOM 175 CB LEU A 11 2.319 -1.633 1.368 1.00 0.00 C ATOM 176 CG LEU A 11 1.138 -0.758 0.927 1.00 0.00 C ATOM 177 CD1 LEU A 11 -0.169 -1.429 1.327 1.00 0.00 C ATOM 178 CD2 LEU A 11 1.262 0.619 1.561 1.00 0.00 C ATOM 0 H LEU A 11 3.274 -1.624 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 11 3.807 -0.073 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.215 -2.613 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.254 -1.783 2.446 1.00 0.00 H new ATOM 0 HG LEU A 11 1.146 -0.640 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.008 -0.807 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.240 -2.404 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.196 -1.557 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.423 1.241 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.256 0.522 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.196 1.083 1.244 1.00 0.00 H new ATOM 190 N GLY A 12 5.264 -2.945 0.951 1.00 0.00 N ATOM 191 CA GLY A 12 6.278 -3.859 1.464 1.00 0.00 C ATOM 192 C GLY A 12 5.652 -4.944 2.331 1.00 0.00 C ATOM 193 O GLY A 12 6.174 -5.281 3.394 1.00 0.00 O ATOM 0 H GLY A 12 4.974 -3.134 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.813 -4.318 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.012 -3.302 2.047 1.00 0.00 H new ATOM 197 N VAL A 13 4.532 -5.490 1.871 1.00 0.00 N ATOM 198 CA VAL A 13 3.767 -6.450 2.658 1.00 0.00 C ATOM 199 C VAL A 13 3.221 -7.569 1.782 1.00 0.00 C ATOM 200 O VAL A 13 2.820 -7.338 0.641 1.00 0.00 O ATOM 201 CB VAL A 13 2.600 -5.745 3.375 1.00 0.00 C ATOM 202 CG1 VAL A 13 1.651 -5.125 2.360 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.866 -6.736 4.265 1.00 0.00 C ATOM 0 H VAL A 13 4.133 -5.284 0.955 1.00 0.00 H new ATOM 0 HA VAL A 13 4.440 -6.884 3.397 1.00 0.00 H new ATOM 0 HB VAL A 13 2.998 -4.945 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.832 -4.631 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.190 -4.394 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.250 -5.905 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.042 -6.231 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.474 -7.551 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.555 -7.137 5.008 1.00 0.00 H new ATOM 213 N SER A 14 3.206 -8.784 2.322 1.00 0.00 N ATOM 214 CA SER A 14 2.738 -9.947 1.579 1.00 0.00 C ATOM 215 C SER A 14 1.275 -9.796 1.184 1.00 0.00 C ATOM 216 O SER A 14 0.468 -9.259 1.944 1.00 0.00 O ATOM 217 CB SER A 14 2.919 -11.205 2.408 1.00 0.00 C ATOM 218 OG SER A 14 2.350 -12.313 1.769 1.00 0.00 O ATOM 0 H SER A 14 3.513 -8.988 3.273 1.00 0.00 H new ATOM 0 HA SER A 14 3.332 -10.025 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.981 -11.384 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.459 -11.069 3.387 1.00 0.00 H new ATOM 0 HG SER A 14 1.729 -12.760 2.381 1.00 0.00 H new ATOM 224 N PRO A 15 0.936 -10.272 -0.009 1.00 0.00 N ATOM 225 CA PRO A 15 -0.438 -10.216 -0.495 1.00 0.00 C ATOM 226 C PRO A 15 -1.331 -11.187 0.267 1.00 0.00 C ATOM 227 O PRO A 15 -2.557 -11.125 0.170 1.00 0.00 O ATOM 228 CB PRO A 15 -0.298 -10.614 -1.969 1.00 0.00 C ATOM 229 CG PRO A 15 0.913 -11.481 -2.000 1.00 0.00 C ATOM 230 CD PRO A 15 1.851 -10.851 -1.006 1.00 0.00 C ATOM 0 HA PRO A 15 -0.905 -9.240 -0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.180 -11.149 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.178 -9.739 -2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.673 -12.508 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.353 -11.513 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.520 -11.587 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.478 -10.089 -1.469 1.00 0.00 H new ATOM 238 N SER A 16 -0.709 -12.086 1.023 1.00 0.00 N ATOM 239 CA SER A 16 -1.448 -13.022 1.863 1.00 0.00 C ATOM 240 C SER A 16 -1.933 -12.351 3.141 1.00 0.00 C ATOM 241 O SER A 16 -2.747 -12.908 3.876 1.00 0.00 O ATOM 242 CB SER A 16 -0.576 -14.215 2.207 1.00 0.00 C ATOM 243 OG SER A 16 0.477 -13.840 3.051 1.00 0.00 O ATOM 0 H SER A 16 0.305 -12.186 1.071 1.00 0.00 H new ATOM 0 HA SER A 16 -2.320 -13.360 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.179 -14.983 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.176 -14.653 1.293 1.00 0.00 H new ATOM 0 HG SER A 16 1.024 -14.626 3.260 1.00 0.00 H new ATOM 249 N ALA A 17 -1.425 -11.151 3.402 1.00 0.00 N ATOM 250 CA ALA A 17 -1.809 -10.399 4.591 1.00 0.00 C ATOM 251 C ALA A 17 -3.226 -9.853 4.466 1.00 0.00 C ATOM 252 O ALA A 17 -3.678 -9.519 3.371 1.00 0.00 O ATOM 253 CB ALA A 17 -0.826 -9.265 4.841 1.00 0.00 C ATOM 0 H ALA A 17 -0.746 -10.678 2.806 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.785 -11.081 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.126 -8.713 5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.173 -9.675 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.820 -8.593 3.983 1.00 0.00 H new ATOM 259 N ASN A 18 -3.922 -9.764 5.594 1.00 0.00 N ATOM 260 CA ASN A 18 -5.269 -9.208 5.621 1.00 0.00 C ATOM 261 C ASN A 18 -5.237 -7.695 5.792 1.00 0.00 C ATOM 262 O ASN A 18 -4.174 -7.104 5.982 1.00 0.00 O ATOM 263 CB ASN A 18 -6.092 -9.853 6.721 1.00 0.00 C ATOM 264 CG ASN A 18 -5.581 -9.522 8.095 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.836 -8.550 8.276 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.964 -10.309 9.066 1.00 0.00 N ATOM 0 H ASN A 18 -3.575 -10.070 6.503 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.741 -9.427 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.128 -9.525 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.087 -10.935 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.648 -10.133 10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.579 -11.099 8.870 1.00 0.00 H new ATOM 273 N GLU A 19 -6.409 -7.071 5.725 1.00 0.00 N ATOM 274 CA GLU A 19 -6.502 -5.616 5.693 1.00 0.00 C ATOM 275 C GLU A 19 -5.848 -4.995 6.921 1.00 0.00 C ATOM 276 O GLU A 19 -5.288 -3.901 6.850 1.00 0.00 O ATOM 277 CB GLU A 19 -7.964 -5.178 5.607 1.00 0.00 C ATOM 278 CG GLU A 19 -8.623 -5.447 4.261 1.00 0.00 C ATOM 279 CD GLU A 19 -9.100 -6.865 4.115 1.00 0.00 C ATOM 280 OE1 GLU A 19 -8.913 -7.632 5.029 1.00 0.00 O ATOM 281 OE2 GLU A 19 -9.653 -7.184 3.089 1.00 0.00 O ATOM 0 H GLU A 19 -7.308 -7.551 5.692 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.970 -5.268 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.531 -5.691 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.024 -4.111 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.468 -4.770 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.914 -5.224 3.464 1.00 0.00 H new ATOM 288 N GLN A 20 -5.921 -5.700 8.044 1.00 0.00 N ATOM 289 CA GLN A 20 -5.335 -5.219 9.290 1.00 0.00 C ATOM 290 C GLN A 20 -3.814 -5.199 9.211 1.00 0.00 C ATOM 291 O GLN A 20 -3.174 -4.233 9.627 1.00 0.00 O ATOM 292 CB GLN A 20 -5.787 -6.089 10.466 1.00 0.00 C ATOM 293 CG GLN A 20 -7.259 -5.954 10.811 1.00 0.00 C ATOM 294 CD GLN A 20 -7.687 -6.908 11.910 1.00 0.00 C ATOM 295 OE1 GLN A 20 -7.076 -7.962 12.108 1.00 0.00 O ATOM 296 NE2 GLN A 20 -8.741 -6.545 12.632 1.00 0.00 N ATOM 0 H GLN A 20 -6.381 -6.608 8.118 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.683 -4.198 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.574 -7.133 10.234 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.195 -5.830 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.463 -4.930 11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.857 -6.141 9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.216 -5.665 12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.075 -7.147 13.385 1.00 0.00 H new ATOM 305 N GLU A 21 -3.240 -6.271 8.676 1.00 0.00 N ATOM 306 CA GLU A 21 -1.793 -6.371 8.523 1.00 0.00 C ATOM 307 C GLU A 21 -1.299 -5.492 7.380 1.00 0.00 C ATOM 308 O GLU A 21 -0.180 -4.981 7.416 1.00 0.00 O ATOM 309 CB GLU A 21 -1.381 -7.824 8.276 1.00 0.00 C ATOM 310 CG GLU A 21 -1.592 -8.747 9.468 1.00 0.00 C ATOM 311 CD GLU A 21 -0.780 -8.349 10.667 1.00 0.00 C ATOM 312 OE1 GLU A 21 0.396 -8.113 10.513 1.00 0.00 O ATOM 313 OE2 GLU A 21 -1.333 -8.282 11.739 1.00 0.00 O ATOM 0 H GLU A 21 -3.756 -7.085 8.340 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.335 -6.022 9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.946 -8.210 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.328 -7.848 7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.649 -8.750 9.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.333 -9.766 9.182 1.00 0.00 H new ATOM 320 N LEU A 22 -2.141 -5.319 6.366 1.00 0.00 N ATOM 321 CA LEU A 22 -1.832 -4.423 5.257 1.00 0.00 C ATOM 322 C LEU A 22 -1.763 -2.974 5.723 1.00 0.00 C ATOM 323 O LEU A 22 -0.938 -2.197 5.243 1.00 0.00 O ATOM 324 CB LEU A 22 -2.887 -4.562 4.154 1.00 0.00 C ATOM 325 CG LEU A 22 -2.900 -5.906 3.412 1.00 0.00 C ATOM 326 CD1 LEU A 22 -4.105 -5.960 2.482 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.602 -6.070 2.635 1.00 0.00 C ATOM 0 H LEU A 22 -3.044 -5.788 6.289 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.856 -4.704 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.871 -4.402 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.731 -3.767 3.425 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.979 -6.726 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.115 -6.914 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.020 -5.858 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.043 -5.146 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.611 -7.024 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.505 -5.258 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.759 -6.045 3.325 1.00 0.00 H new ATOM 339 N LYS A 23 -2.635 -2.617 6.660 1.00 0.00 N ATOM 340 CA LYS A 23 -2.576 -1.310 7.302 1.00 0.00 C ATOM 341 C LYS A 23 -1.246 -1.107 8.019 1.00 0.00 C ATOM 342 O LYS A 23 -0.631 -0.046 7.917 1.00 0.00 O ATOM 343 CB LYS A 23 -3.735 -1.144 8.287 1.00 0.00 C ATOM 344 CG LYS A 23 -3.766 0.202 8.999 1.00 0.00 C ATOM 345 CD LYS A 23 -4.986 0.320 9.900 1.00 0.00 C ATOM 346 CE LYS A 23 -5.007 1.656 10.631 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.196 1.784 11.518 1.00 0.00 N ATOM 0 H LYS A 23 -3.391 -3.216 6.992 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.662 -0.552 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.674 -1.280 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.677 -1.936 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.860 0.324 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.775 1.006 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.892 0.215 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.985 -0.494 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.098 1.760 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.007 2.468 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.174 2.707 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.063 1.710 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.183 1.024 12.228 1.00 0.00 H new ATOM 361 N LYS A 24 -0.808 -2.131 8.743 1.00 0.00 N ATOM 362 CA LYS A 24 0.481 -2.092 9.423 1.00 0.00 C ATOM 363 C LYS A 24 1.617 -1.855 8.437 1.00 0.00 C ATOM 364 O LYS A 24 2.554 -1.107 8.721 1.00 0.00 O ATOM 365 CB LYS A 24 0.718 -3.390 10.196 1.00 0.00 C ATOM 366 CG LYS A 24 -0.188 -3.575 11.407 1.00 0.00 C ATOM 367 CD LYS A 24 0.061 -4.916 12.083 1.00 0.00 C ATOM 368 CE LYS A 24 -0.907 -5.143 13.236 1.00 0.00 C ATOM 369 NZ LYS A 24 -0.731 -6.486 13.851 1.00 0.00 N ATOM 0 H LYS A 24 -1.327 -2.999 8.874 1.00 0.00 H new ATOM 0 HA LYS A 24 0.462 -1.260 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.576 -4.233 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.756 -3.418 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.016 -2.768 12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.231 -3.509 11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.045 -5.719 11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.086 -4.954 12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.756 -4.374 13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.931 -5.040 12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.385 -6.589 14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.933 -7.221 13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.248 -6.588 14.187 1.00 0.00 H new ATOM 383 N GLY A 25 1.531 -2.496 7.277 1.00 0.00 N ATOM 384 CA GLY A 25 2.502 -2.286 6.211 1.00 0.00 C ATOM 385 C GLY A 25 2.542 -0.825 5.782 1.00 0.00 C ATOM 386 O GLY A 25 3.617 -0.249 5.607 1.00 0.00 O ATOM 0 H GLY A 25 0.797 -3.167 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.491 -2.595 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.248 -2.912 5.356 1.00 0.00 H new ATOM 390 N TYR A 26 1.366 -0.230 5.614 1.00 0.00 N ATOM 391 CA TYR A 26 1.264 1.181 5.262 1.00 0.00 C ATOM 392 C TYR A 26 1.901 2.061 6.330 1.00 0.00 C ATOM 393 O TYR A 26 2.660 2.979 6.020 1.00 0.00 O ATOM 394 CB TYR A 26 -0.199 1.577 5.052 1.00 0.00 C ATOM 395 CG TYR A 26 -0.407 3.059 4.838 1.00 0.00 C ATOM 396 CD1 TYR A 26 0.156 3.686 3.736 1.00 0.00 C ATOM 397 CD2 TYR A 26 -1.158 3.792 5.745 1.00 0.00 C ATOM 398 CE1 TYR A 26 -0.033 5.041 3.542 1.00 0.00 C ATOM 399 CE2 TYR A 26 -1.348 5.146 5.551 1.00 0.00 C ATOM 400 CZ TYR A 26 -0.789 5.770 4.454 1.00 0.00 C ATOM 401 OH TYR A 26 -0.977 7.119 4.261 1.00 0.00 O ATOM 0 H TYR A 26 0.469 -0.704 5.716 1.00 0.00 H new ATOM 0 HA TYR A 26 1.806 1.333 4.329 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.592 1.037 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.779 1.260 5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.742 3.116 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.594 3.303 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.405 5.532 2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.933 5.716 6.257 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.798 7.343 3.324 1.00 0.00 H new ATOM 411 N ARG A 27 1.586 1.778 7.590 1.00 0.00 N ATOM 412 CA ARG A 27 2.113 2.554 8.705 1.00 0.00 C ATOM 413 C ARG A 27 3.636 2.571 8.692 1.00 0.00 C ATOM 414 O ARG A 27 4.256 3.608 8.926 1.00 0.00 O ATOM 415 CB ARG A 27 1.626 1.986 10.030 1.00 0.00 C ATOM 416 CG ARG A 27 0.144 2.188 10.306 1.00 0.00 C ATOM 417 CD ARG A 27 -0.276 1.517 11.563 1.00 0.00 C ATOM 418 NE ARG A 27 0.324 2.135 12.734 1.00 0.00 N ATOM 419 CZ ARG A 27 0.311 1.601 13.972 1.00 0.00 C ATOM 420 NH1 ARG A 27 -0.275 0.444 14.182 1.00 0.00 N ATOM 421 NH2 ARG A 27 0.886 2.243 14.974 1.00 0.00 N ATOM 0 H ARG A 27 0.967 1.015 7.864 1.00 0.00 H new ATOM 0 HA ARG A 27 1.750 3.576 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.843 0.918 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.197 2.444 10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.072 3.254 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.438 1.796 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.362 1.554 11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.005 0.464 11.524 1.00 0.00 H new ATOM 0 HE ARG A 27 0.787 3.035 12.611 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.720 -0.050 13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.285 0.040 15.118 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.339 3.142 14.811 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.876 1.839 15.911 1.00 0.00 H new ATOM 435 N LYS A 28 4.234 1.417 8.418 1.00 0.00 N ATOM 436 CA LYS A 28 5.686 1.305 8.333 1.00 0.00 C ATOM 437 C LYS A 28 6.229 2.092 7.147 1.00 0.00 C ATOM 438 O LYS A 28 7.212 2.822 7.272 1.00 0.00 O ATOM 439 CB LYS A 28 6.106 -0.161 8.229 1.00 0.00 C ATOM 440 CG LYS A 28 5.891 -0.969 9.503 1.00 0.00 C ATOM 441 CD LYS A 28 6.293 -2.423 9.309 1.00 0.00 C ATOM 442 CE LYS A 28 6.058 -3.236 10.574 1.00 0.00 C ATOM 443 NZ LYS A 28 6.423 -4.668 10.391 1.00 0.00 N ATOM 0 H LYS A 28 3.734 0.544 8.251 1.00 0.00 H new ATOM 0 HA LYS A 28 6.107 1.728 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.549 -0.629 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.161 -0.206 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.473 -0.534 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.843 -0.915 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.722 -2.854 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.345 -2.477 9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.644 -2.814 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.009 -3.163 10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.248 -5.187 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.846 -5.079 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.430 -4.740 10.141 1.00 0.00 H new ATOM 457 N ALA A 29 5.583 1.938 5.996 1.00 0.00 N ATOM 458 CA ALA A 29 5.991 2.644 4.788 1.00 0.00 C ATOM 459 C ALA A 29 5.799 4.148 4.938 1.00 0.00 C ATOM 460 O ALA A 29 6.606 4.938 4.449 1.00 0.00 O ATOM 461 CB ALA A 29 5.213 2.129 3.585 1.00 0.00 C ATOM 0 H ALA A 29 4.773 1.329 5.875 1.00 0.00 H new ATOM 0 HA ALA A 29 7.052 2.454 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.529 2.666 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.406 1.064 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.147 2.288 3.746 1.00 0.00 H new ATOM 467 N ALA A 30 4.725 4.538 5.617 1.00 0.00 N ATOM 468 CA ALA A 30 4.434 5.948 5.846 1.00 0.00 C ATOM 469 C ALA A 30 5.525 6.609 6.676 1.00 0.00 C ATOM 470 O ALA A 30 5.915 7.747 6.414 1.00 0.00 O ATOM 471 CB ALA A 30 3.083 6.106 6.528 1.00 0.00 C ATOM 0 H ALA A 30 4.041 3.896 6.018 1.00 0.00 H new ATOM 0 HA ALA A 30 4.401 6.445 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.880 7.164 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.304 5.681 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.096 5.586 7.486 1.00 0.00 H new ATOM 477 N LEU A 31 6.018 5.888 7.677 1.00 0.00 N ATOM 478 CA LEU A 31 7.148 6.353 8.472 1.00 0.00 C ATOM 479 C LEU A 31 8.419 6.424 7.636 1.00 0.00 C ATOM 480 O LEU A 31 9.199 7.369 7.750 1.00 0.00 O ATOM 481 CB LEU A 31 7.370 5.424 9.673 1.00 0.00 C ATOM 482 CG LEU A 31 6.293 5.479 10.764 1.00 0.00 C ATOM 483 CD1 LEU A 31 6.542 4.374 11.780 1.00 0.00 C ATOM 484 CD2 LEU A 31 6.314 6.849 11.429 1.00 0.00 C ATOM 0 H LEU A 31 5.652 4.978 7.957 1.00 0.00 H new ATOM 0 HA LEU A 31 6.915 7.356 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.440 4.399 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.332 5.668 10.125 1.00 0.00 H new ATOM 0 HG LEU A 31 5.308 5.325 10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.777 4.413 12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.504 3.406 11.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.524 4.510 12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.549 6.889 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.293 7.021 11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.115 7.619 10.683 1.00 0.00 H new ATOM 496 N LYS A 32 8.623 5.416 6.792 1.00 0.00 N ATOM 497 CA LYS A 32 9.793 5.369 5.924 1.00 0.00 C ATOM 498 C LYS A 32 9.869 6.603 5.036 1.00 0.00 C ATOM 499 O LYS A 32 10.930 7.213 4.893 1.00 0.00 O ATOM 500 CB LYS A 32 9.770 4.103 5.065 1.00 0.00 C ATOM 501 CG LYS A 32 10.984 3.936 4.160 1.00 0.00 C ATOM 502 CD LYS A 32 10.858 2.696 3.289 1.00 0.00 C ATOM 503 CE LYS A 32 12.069 2.526 2.385 1.00 0.00 C ATOM 504 NZ LYS A 32 11.843 1.491 1.340 1.00 0.00 N ATOM 0 H LYS A 32 7.992 4.621 6.692 1.00 0.00 H new ATOM 0 HA LYS A 32 10.679 5.351 6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.698 3.235 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.871 4.113 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.093 4.817 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.886 3.866 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.748 1.815 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.956 2.767 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.302 3.478 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.935 2.251 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.749 1.248 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.434 0.640 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.188 1.860 0.622 1.00 0.00 H new ATOM 518 N TYR A 33 8.739 6.967 4.440 1.00 0.00 N ATOM 519 CA TYR A 33 8.693 8.086 3.504 1.00 0.00 C ATOM 520 C TYR A 33 8.056 9.313 4.145 1.00 0.00 C ATOM 521 O TYR A 33 7.554 10.197 3.451 1.00 0.00 O ATOM 522 CB TYR A 33 7.929 7.692 2.238 1.00 0.00 C ATOM 523 CG TYR A 33 8.481 6.465 1.548 1.00 0.00 C ATOM 524 CD1 TYR A 33 7.709 5.317 1.451 1.00 0.00 C ATOM 525 CD2 TYR A 33 9.761 6.487 1.011 1.00 0.00 C ATOM 526 CE1 TYR A 33 8.214 4.196 0.822 1.00 0.00 C ATOM 527 CE2 TYR A 33 10.265 5.367 0.382 1.00 0.00 C ATOM 528 CZ TYR A 33 9.497 4.225 0.286 1.00 0.00 C ATOM 529 OH TYR A 33 9.999 3.109 -0.341 1.00 0.00 O ATOM 0 H TYR A 33 7.842 6.504 4.588 1.00 0.00 H new ATOM 0 HA TYR A 33 9.718 8.339 3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.885 7.513 2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.946 8.529 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.713 5.300 1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.362 7.381 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.615 3.300 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 33 11.261 5.384 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 33 10.907 3.294 -0.661 1.00 0.00 H new ATOM 539 N HIS A 34 8.083 9.362 5.472 1.00 0.00 N ATOM 540 CA HIS A 34 7.440 10.442 6.212 1.00 0.00 C ATOM 541 C HIS A 34 8.120 11.778 5.938 1.00 0.00 C ATOM 542 O HIS A 34 9.347 11.879 5.969 1.00 0.00 O ATOM 543 CB HIS A 34 7.457 10.153 7.716 1.00 0.00 C ATOM 544 CG HIS A 34 6.490 10.983 8.500 1.00 0.00 C ATOM 545 ND1 HIS A 34 6.703 12.321 8.766 1.00 0.00 N ATOM 546 CD2 HIS A 34 5.305 10.669 9.074 1.00 0.00 C ATOM 547 CE1 HIS A 34 5.689 12.792 9.472 1.00 0.00 C ATOM 548 NE2 HIS A 34 4.829 11.810 9.672 1.00 0.00 N ATOM 0 H HIS A 34 8.544 8.666 6.058 1.00 0.00 H new ATOM 0 HA HIS A 34 6.406 10.502 5.873 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.231 9.099 7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.463 10.325 8.099 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.824 9.702 9.064 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.582 13.807 9.825 1.00 0.00 H new ATOM 0 HE2 HIS A 34 3.952 11.887 10.188 1.00 0.00 H new ATOM 556 N PRO A 35 7.316 12.801 5.669 1.00 0.00 N ATOM 557 CA PRO A 35 7.839 14.105 5.279 1.00 0.00 C ATOM 558 C PRO A 35 8.842 14.622 6.300 1.00 0.00 C ATOM 559 O PRO A 35 9.807 15.304 5.947 1.00 0.00 O ATOM 560 CB PRO A 35 6.582 14.980 5.230 1.00 0.00 C ATOM 561 CG PRO A 35 5.499 14.039 4.821 1.00 0.00 C ATOM 562 CD PRO A 35 5.824 12.757 5.540 1.00 0.00 C ATOM 0 HA PRO A 35 8.381 14.088 4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.373 15.431 6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.692 15.796 4.516 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.517 14.416 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.484 13.896 3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.338 12.708 6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.495 11.885 4.975 1.00 0.00 H new ATOM 570 N ASP A 36 8.613 14.296 7.568 1.00 0.00 N ATOM 571 CA ASP A 36 9.380 14.881 8.661 1.00 0.00 C ATOM 572 C ASP A 36 10.575 14.008 9.024 1.00 0.00 C ATOM 573 O ASP A 36 11.213 14.211 10.058 1.00 0.00 O ATOM 574 CB ASP A 36 8.493 15.081 9.893 1.00 0.00 C ATOM 575 CG ASP A 36 7.411 16.132 9.678 1.00 0.00 C ATOM 576 OD1 ASP A 36 7.598 16.989 8.847 1.00 0.00 O ATOM 577 OD2 ASP A 36 6.408 16.066 10.347 1.00 0.00 O ATOM 0 H ASP A 36 7.901 13.628 7.864 1.00 0.00 H new ATOM 0 HA ASP A 36 9.749 15.850 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.025 14.132 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.115 15.374 10.739 1.00 0.00 H new ATOM 582 N LYS A 37 10.872 13.037 8.170 1.00 0.00 N ATOM 583 CA LYS A 37 12.035 12.177 8.362 1.00 0.00 C ATOM 584 C LYS A 37 13.094 12.439 7.298 1.00 0.00 C ATOM 585 O LYS A 37 12.790 12.930 6.212 1.00 0.00 O ATOM 586 CB LYS A 37 11.621 10.704 8.341 1.00 0.00 C ATOM 587 CG LYS A 37 10.660 10.305 9.453 1.00 0.00 C ATOM 588 CD LYS A 37 11.323 10.404 10.819 1.00 0.00 C ATOM 589 CE LYS A 37 10.397 9.911 11.921 1.00 0.00 C ATOM 590 NZ LYS A 37 11.010 10.061 13.269 1.00 0.00 N ATOM 0 H LYS A 37 10.324 12.824 7.337 1.00 0.00 H new ATOM 0 HA LYS A 37 12.465 12.409 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.157 10.483 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.516 10.086 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.781 10.949 9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.313 9.285 9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.241 9.817 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.605 11.439 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.460 10.467 11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.152 8.863 11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.348 9.714 13.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.891 9.510 13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.220 11.064 13.445 1.00 0.00 H new ATOM 604 N PRO A 38 14.340 12.106 7.618 1.00 0.00 N ATOM 605 CA PRO A 38 15.449 12.316 6.697 1.00 0.00 C ATOM 606 C PRO A 38 15.193 11.626 5.363 1.00 0.00 C ATOM 607 O PRO A 38 15.634 12.098 4.314 1.00 0.00 O ATOM 608 CB PRO A 38 16.637 11.690 7.437 1.00 0.00 C ATOM 609 CG PRO A 38 16.284 11.832 8.878 1.00 0.00 C ATOM 610 CD PRO A 38 14.799 11.586 8.927 1.00 0.00 C ATOM 0 HA PRO A 38 15.610 13.365 6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.772 10.644 7.161 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.569 12.205 7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.826 11.113 9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.535 12.824 9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.568 10.528 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.329 12.111 9.759 1.00 0.00 H new ATOM 618 N THR A 39 14.480 10.507 5.407 1.00 0.00 N ATOM 619 CA THR A 39 14.222 9.712 4.211 1.00 0.00 C ATOM 620 C THR A 39 12.834 9.996 3.651 1.00 0.00 C ATOM 621 O THR A 39 12.276 9.185 2.913 1.00 0.00 O ATOM 622 CB THR A 39 14.366 8.208 4.505 1.00 0.00 C ATOM 623 OG1 THR A 39 13.453 7.831 5.544 1.00 0.00 O ATOM 624 CG2 THR A 39 15.785 7.881 4.939 1.00 0.00 C ATOM 0 H THR A 39 14.069 10.128 6.260 1.00 0.00 H new ATOM 0 HA THR A 39 14.965 9.997 3.466 1.00 0.00 H new ATOM 0 HB THR A 39 14.140 7.653 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.575 7.637 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.866 6.813 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 39 16.480 8.153 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.028 8.442 5.842 1.00 0.00 H new ATOM 632 N GLY A 40 12.283 11.152 4.006 1.00 0.00 N ATOM 633 CA GLY A 40 10.948 11.532 3.560 1.00 0.00 C ATOM 634 C GLY A 40 10.876 11.606 2.041 1.00 0.00 C ATOM 635 O GLY A 40 11.824 12.039 1.385 1.00 0.00 O ATOM 0 H GLY A 40 12.741 11.842 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.220 10.809 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.680 12.498 3.987 1.00 0.00 H new ATOM 639 N ASP A 41 9.746 11.181 1.485 1.00 0.00 N ATOM 640 CA ASP A 41 9.559 11.172 0.039 1.00 0.00 C ATOM 641 C ASP A 41 8.088 11.319 -0.326 1.00 0.00 C ATOM 642 O ASP A 41 7.324 10.354 -0.268 1.00 0.00 O ATOM 643 CB ASP A 41 10.115 9.879 -0.564 1.00 0.00 C ATOM 644 CG ASP A 41 10.023 9.847 -2.084 1.00 0.00 C ATOM 645 OD1 ASP A 41 9.155 10.497 -2.621 1.00 0.00 O ATOM 646 OD2 ASP A 41 10.820 9.176 -2.693 1.00 0.00 O ATOM 0 H ASP A 41 8.945 10.838 2.015 1.00 0.00 H new ATOM 0 HA ASP A 41 10.103 12.022 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.157 9.763 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.570 9.029 -0.154 1.00 0.00 H new ATOM 651 N THR A 42 7.696 12.530 -0.704 1.00 0.00 N ATOM 652 CA THR A 42 6.293 12.838 -0.952 1.00 0.00 C ATOM 653 C THR A 42 5.723 11.961 -2.059 1.00 0.00 C ATOM 654 O THR A 42 4.601 11.464 -1.956 1.00 0.00 O ATOM 655 CB THR A 42 6.108 14.322 -1.323 1.00 0.00 C ATOM 656 OG1 THR A 42 6.533 15.146 -0.229 1.00 0.00 O ATOM 657 CG2 THR A 42 4.649 14.616 -1.637 1.00 0.00 C ATOM 0 H THR A 42 8.331 13.316 -0.846 1.00 0.00 H new ATOM 0 HA THR A 42 5.751 12.634 -0.029 1.00 0.00 H new ATOM 0 HB THR A 42 6.709 14.538 -2.206 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.417 16.090 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.538 15.669 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.326 13.999 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.036 14.391 -0.764 1.00 0.00 H new ATOM 665 N GLU A 43 6.502 11.772 -3.118 1.00 0.00 N ATOM 666 CA GLU A 43 6.072 10.964 -4.253 1.00 0.00 C ATOM 667 C GLU A 43 5.713 9.550 -3.815 1.00 0.00 C ATOM 668 O GLU A 43 4.630 9.052 -4.121 1.00 0.00 O ATOM 669 CB GLU A 43 7.167 10.916 -5.320 1.00 0.00 C ATOM 670 CG GLU A 43 6.805 10.106 -6.557 1.00 0.00 C ATOM 671 CD GLU A 43 7.880 10.131 -7.608 1.00 0.00 C ATOM 672 OE1 GLU A 43 8.856 10.816 -7.416 1.00 0.00 O ATOM 673 OE2 GLU A 43 7.725 9.464 -8.603 1.00 0.00 O ATOM 0 H GLU A 43 7.437 12.168 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 43 5.182 11.430 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.405 11.935 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.070 10.496 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.613 9.073 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.880 10.495 -6.982 1.00 0.00 H new ATOM 680 N LYS A 44 6.629 8.906 -3.100 1.00 0.00 N ATOM 681 CA LYS A 44 6.416 7.542 -2.633 1.00 0.00 C ATOM 682 C LYS A 44 5.347 7.491 -1.551 1.00 0.00 C ATOM 683 O LYS A 44 4.601 6.517 -1.447 1.00 0.00 O ATOM 684 CB LYS A 44 7.725 6.945 -2.109 1.00 0.00 C ATOM 685 CG LYS A 44 8.747 6.625 -3.191 1.00 0.00 C ATOM 686 CD LYS A 44 8.204 5.606 -4.181 1.00 0.00 C ATOM 687 CE LYS A 44 9.236 5.258 -5.243 1.00 0.00 C ATOM 688 NZ LYS A 44 8.679 4.359 -6.289 1.00 0.00 N ATOM 0 H LYS A 44 7.527 9.308 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 44 6.071 6.949 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.171 7.643 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.499 6.032 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.019 7.539 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.657 6.240 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.908 4.702 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.308 6.002 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.600 6.174 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.093 4.778 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.048 4.639 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.957 3.377 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.642 4.431 -6.292 1.00 0.00 H new ATOM 702 N PHE A 45 5.276 8.544 -0.744 1.00 0.00 N ATOM 703 CA PHE A 45 4.259 8.648 0.295 1.00 0.00 C ATOM 704 C PHE A 45 2.859 8.626 -0.302 1.00 0.00 C ATOM 705 O PHE A 45 1.948 8.005 0.248 1.00 0.00 O ATOM 706 CB PHE A 45 4.453 9.930 1.107 1.00 0.00 C ATOM 707 CG PHE A 45 3.640 9.977 2.370 1.00 0.00 C ATOM 708 CD1 PHE A 45 2.408 10.614 2.394 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.105 9.385 3.534 1.00 0.00 C ATOM 710 CE1 PHE A 45 1.659 10.659 3.556 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.358 9.426 4.695 1.00 0.00 C ATOM 712 CZ PHE A 45 2.135 10.064 4.705 1.00 0.00 C ATOM 0 H PHE A 45 5.913 9.339 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 45 4.368 7.786 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.508 10.032 1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.191 10.786 0.485 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.030 11.080 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.063 8.886 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.702 11.160 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.731 8.959 5.594 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.551 10.097 5.613 1.00 0.00 H new ATOM 722 N LYS A 46 2.691 9.307 -1.431 1.00 0.00 N ATOM 723 CA LYS A 46 1.418 9.310 -2.142 1.00 0.00 C ATOM 724 C LYS A 46 1.126 7.948 -2.756 1.00 0.00 C ATOM 725 O LYS A 46 -0.014 7.483 -2.749 1.00 0.00 O ATOM 726 CB LYS A 46 1.414 10.389 -3.226 1.00 0.00 C ATOM 727 CG LYS A 46 1.339 11.814 -2.696 1.00 0.00 C ATOM 728 CD LYS A 46 1.343 12.827 -3.832 1.00 0.00 C ATOM 729 CE LYS A 46 1.189 14.247 -3.309 1.00 0.00 C ATOM 730 NZ LYS A 46 1.222 15.251 -4.407 1.00 0.00 N ATOM 0 H LYS A 46 3.422 9.864 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 46 0.633 9.531 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.317 10.285 -3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.567 10.216 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.434 11.936 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.184 12.003 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.274 12.743 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.532 12.603 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.248 14.334 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.987 14.460 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.114 16.205 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.130 15.186 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.445 15.064 -5.072 1.00 0.00 H new ATOM 744 N GLU A 47 2.163 7.310 -3.286 1.00 0.00 N ATOM 745 CA GLU A 47 2.014 6.015 -3.940 1.00 0.00 C ATOM 746 C GLU A 47 1.527 4.956 -2.960 1.00 0.00 C ATOM 747 O GLU A 47 0.643 4.161 -3.278 1.00 0.00 O ATOM 748 CB GLU A 47 3.341 5.575 -4.562 1.00 0.00 C ATOM 749 CG GLU A 47 3.738 6.351 -5.811 1.00 0.00 C ATOM 750 CD GLU A 47 5.019 5.857 -6.424 1.00 0.00 C ATOM 751 OE1 GLU A 47 5.582 4.923 -5.905 1.00 0.00 O ATOM 752 OE2 GLU A 47 5.435 6.415 -7.412 1.00 0.00 O ATOM 0 H GLU A 47 3.118 7.669 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 47 1.268 6.124 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.130 5.680 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.278 4.516 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.937 6.279 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.845 7.406 -5.559 1.00 0.00 H new ATOM 759 N ILE A 48 2.109 4.950 -1.765 1.00 0.00 N ATOM 760 CA ILE A 48 1.744 3.979 -0.740 1.00 0.00 C ATOM 761 C ILE A 48 0.394 4.315 -0.119 1.00 0.00 C ATOM 762 O ILE A 48 -0.295 3.439 0.404 1.00 0.00 O ATOM 763 CB ILE A 48 2.815 3.916 0.362 1.00 0.00 C ATOM 764 CG1 ILE A 48 2.913 5.259 1.090 1.00 0.00 C ATOM 765 CG2 ILE A 48 4.163 3.528 -0.228 1.00 0.00 C ATOM 766 CD1 ILE A 48 3.755 5.213 2.345 1.00 0.00 C ATOM 0 H ILE A 48 2.836 5.607 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 48 1.674 3.005 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 48 2.524 3.154 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.332 6.001 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.909 5.595 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.909 3.488 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.085 2.550 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.462 4.268 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.777 6.201 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.326 4.496 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.770 4.908 2.091 1.00 0.00 H new ATOM 778 N SER A 49 0.021 5.590 -0.178 1.00 0.00 N ATOM 779 CA SER A 49 -1.281 6.030 0.304 1.00 0.00 C ATOM 780 C SER A 49 -2.401 5.533 -0.603 1.00 0.00 C ATOM 781 O SER A 49 -3.462 5.126 -0.128 1.00 0.00 O ATOM 782 CB SER A 49 -1.322 7.543 0.390 1.00 0.00 C ATOM 783 OG SER A 49 -0.469 8.012 1.397 1.00 0.00 O ATOM 0 H SER A 49 0.604 6.337 -0.556 1.00 0.00 H new ATOM 0 HA SER A 49 -1.432 5.607 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.030 7.973 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.342 7.872 0.590 1.00 0.00 H new ATOM 0 HG SER A 49 0.451 8.041 1.059 1.00 0.00 H new ATOM 789 N GLU A 50 -2.159 5.570 -1.907 1.00 0.00 N ATOM 790 CA GLU A 50 -3.055 4.944 -2.871 1.00 0.00 C ATOM 791 C GLU A 50 -3.122 3.436 -2.662 1.00 0.00 C ATOM 792 O GLU A 50 -4.206 2.854 -2.618 1.00 0.00 O ATOM 793 CB GLU A 50 -2.601 5.248 -4.300 1.00 0.00 C ATOM 794 CG GLU A 50 -3.488 4.652 -5.384 1.00 0.00 C ATOM 795 CD GLU A 50 -3.001 4.960 -6.773 1.00 0.00 C ATOM 796 OE1 GLU A 50 -1.927 5.496 -6.901 1.00 0.00 O ATOM 797 OE2 GLU A 50 -3.706 4.657 -7.707 1.00 0.00 O ATOM 0 H GLU A 50 -1.348 6.028 -2.322 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.051 5.359 -2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.563 6.329 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.586 4.874 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.537 3.571 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.502 5.034 -5.267 1.00 0.00 H new ATOM 804 N ALA A 51 -1.958 2.809 -2.531 1.00 0.00 N ATOM 805 CA ALA A 51 -1.884 1.379 -2.255 1.00 0.00 C ATOM 806 C ALA A 51 -2.704 1.012 -1.024 1.00 0.00 C ATOM 807 O ALA A 51 -3.456 0.037 -1.035 1.00 0.00 O ATOM 808 CB ALA A 51 -0.436 0.948 -2.073 1.00 0.00 C ATOM 0 H ALA A 51 -1.051 3.270 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.304 0.850 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.398 -0.122 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.125 1.163 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.004 1.494 -1.238 1.00 0.00 H new ATOM 814 N PHE A 52 -2.557 1.800 0.036 1.00 0.00 N ATOM 815 CA PHE A 52 -3.314 1.585 1.262 1.00 0.00 C ATOM 816 C PHE A 52 -4.814 1.669 1.005 1.00 0.00 C ATOM 817 O PHE A 52 -5.560 0.743 1.320 1.00 0.00 O ATOM 818 CB PHE A 52 -2.915 2.611 2.324 1.00 0.00 C ATOM 819 CG PHE A 52 -3.776 2.577 3.554 1.00 0.00 C ATOM 820 CD1 PHE A 52 -3.756 1.481 4.403 1.00 0.00 C ATOM 821 CD2 PHE A 52 -4.611 3.640 3.865 1.00 0.00 C ATOM 822 CE1 PHE A 52 -4.548 1.447 5.535 1.00 0.00 C ATOM 823 CE2 PHE A 52 -5.403 3.611 4.995 1.00 0.00 C ATOM 824 CZ PHE A 52 -5.371 2.512 5.832 1.00 0.00 C ATOM 0 H PHE A 52 -1.919 2.595 0.070 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.081 0.584 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.878 2.437 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.961 3.609 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.113 0.643 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.642 4.502 3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.522 0.586 6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.047 4.447 5.225 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.990 2.488 6.717 1.00 0.00 H new ATOM 834 N GLU A 53 -5.249 2.786 0.432 1.00 0.00 N ATOM 835 CA GLU A 53 -6.668 3.024 0.196 1.00 0.00 C ATOM 836 C GLU A 53 -7.305 1.859 -0.552 1.00 0.00 C ATOM 837 O GLU A 53 -8.364 1.367 -0.165 1.00 0.00 O ATOM 838 CB GLU A 53 -6.868 4.320 -0.592 1.00 0.00 C ATOM 839 CG GLU A 53 -8.301 4.567 -1.043 1.00 0.00 C ATOM 840 CD GLU A 53 -9.246 4.785 0.104 1.00 0.00 C ATOM 841 OE1 GLU A 53 -8.803 5.223 1.140 1.00 0.00 O ATOM 842 OE2 GLU A 53 -10.412 4.513 -0.053 1.00 0.00 O ATOM 0 H GLU A 53 -4.638 3.542 0.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.156 3.117 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.544 5.159 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.222 4.301 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.325 5.438 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.643 3.716 -1.632 1.00 0.00 H new ATOM 849 N ILE A 54 -6.652 1.425 -1.625 1.00 0.00 N ATOM 850 CA ILE A 54 -7.166 0.334 -2.443 1.00 0.00 C ATOM 851 C ILE A 54 -7.149 -0.984 -1.680 1.00 0.00 C ATOM 852 O ILE A 54 -8.102 -1.761 -1.742 1.00 0.00 O ATOM 853 CB ILE A 54 -6.350 0.188 -3.740 1.00 0.00 C ATOM 854 CG1 ILE A 54 -6.567 1.400 -4.648 1.00 0.00 C ATOM 855 CG2 ILE A 54 -6.723 -1.097 -4.464 1.00 0.00 C ATOM 856 CD1 ILE A 54 -5.604 1.473 -5.812 1.00 0.00 C ATOM 0 H ILE A 54 -5.766 1.813 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.198 0.578 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.293 0.139 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.586 1.375 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.473 2.309 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.136 -1.183 -5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.517 -1.951 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.784 -1.079 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.821 2.359 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.582 1.530 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.713 0.583 -6.431 1.00 0.00 H new ATOM 868 N LEU A 55 -6.060 -1.231 -0.961 1.00 0.00 N ATOM 869 CA LEU A 55 -5.864 -2.505 -0.279 1.00 0.00 C ATOM 870 C LEU A 55 -6.488 -2.489 1.109 1.00 0.00 C ATOM 871 O LEU A 55 -6.528 -3.509 1.796 1.00 0.00 O ATOM 872 CB LEU A 55 -4.367 -2.824 -0.171 1.00 0.00 C ATOM 873 CG LEU A 55 -3.624 -2.987 -1.503 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.147 -3.234 -1.233 1.00 0.00 C ATOM 875 CD2 LEU A 55 -4.237 -4.136 -2.289 1.00 0.00 C ATOM 0 H LEU A 55 -5.298 -0.565 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.357 -3.278 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.885 -2.029 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.251 -3.743 0.404 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.717 -2.077 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.619 -3.350 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.731 -2.388 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.032 -4.141 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.709 -4.252 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.154 -5.057 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.288 -3.924 -2.484 1.00 0.00 H new ATOM 887 N ASN A 56 -6.975 -1.322 1.521 1.00 0.00 N ATOM 888 CA ASN A 56 -7.702 -1.195 2.779 1.00 0.00 C ATOM 889 C ASN A 56 -9.151 -1.636 2.624 1.00 0.00 C ATOM 890 O ASN A 56 -9.619 -2.525 3.336 1.00 0.00 O ATOM 891 CB ASN A 56 -7.628 0.230 3.296 1.00 0.00 C ATOM 892 CG ASN A 56 -8.296 0.394 4.633 1.00 0.00 C ATOM 893 OD1 ASN A 56 -7.958 -0.299 5.599 1.00 0.00 O ATOM 894 ND2 ASN A 56 -9.240 1.297 4.706 1.00 0.00 N ATOM 0 H ASN A 56 -6.879 -0.450 1.001 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.229 -1.852 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.583 0.530 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.097 0.899 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.730 1.452 5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.485 1.846 3.882 1.00 0.00 H new ATOM 901 N ASP A 57 -9.857 -1.009 1.690 1.00 0.00 N ATOM 902 CA ASP A 57 -11.216 -1.421 1.350 1.00 0.00 C ATOM 903 C ASP A 57 -11.227 -2.798 0.701 1.00 0.00 C ATOM 904 O ASP A 57 -10.676 -2.988 -0.382 1.00 0.00 O ATOM 905 CB ASP A 57 -11.867 -0.403 0.412 1.00 0.00 C ATOM 906 CG ASP A 57 -13.325 -0.720 0.113 1.00 0.00 C ATOM 907 OD1 ASP A 57 -13.739 -1.824 0.380 1.00 0.00 O ATOM 908 OD2 ASP A 57 -14.011 0.143 -0.381 1.00 0.00 O ATOM 0 H ASP A 57 -9.512 -0.213 1.154 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.788 -1.471 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.800 0.589 0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.309 -0.370 -0.523 1.00 0.00 H new ATOM 913 N PRO A 58 -11.857 -3.758 1.371 1.00 0.00 N ATOM 914 CA PRO A 58 -11.901 -5.131 0.883 1.00 0.00 C ATOM 915 C PRO A 58 -12.399 -5.189 -0.554 1.00 0.00 C ATOM 916 O PRO A 58 -11.951 -6.020 -1.345 1.00 0.00 O ATOM 917 CB PRO A 58 -12.878 -5.808 1.847 1.00 0.00 C ATOM 918 CG PRO A 58 -12.697 -5.072 3.130 1.00 0.00 C ATOM 919 CD PRO A 58 -12.503 -3.638 2.714 1.00 0.00 C ATOM 0 HA PRO A 58 -10.924 -5.613 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.905 -5.736 1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.654 -6.869 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.566 -5.184 3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.836 -5.445 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.451 -3.103 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.871 -3.096 3.418 1.00 0.00 H new ATOM 927 N GLN A 59 -13.331 -4.303 -0.890 1.00 0.00 N ATOM 928 CA GLN A 59 -13.928 -4.283 -2.220 1.00 0.00 C ATOM 929 C GLN A 59 -12.929 -3.799 -3.264 1.00 0.00 C ATOM 930 O GLN A 59 -12.826 -4.369 -4.350 1.00 0.00 O ATOM 931 CB GLN A 59 -15.172 -3.392 -2.236 1.00 0.00 C ATOM 932 CG GLN A 59 -16.341 -3.942 -1.434 1.00 0.00 C ATOM 933 CD GLN A 59 -17.536 -3.008 -1.440 1.00 0.00 C ATOM 934 OE1 GLN A 59 -17.410 -1.817 -1.740 1.00 0.00 O ATOM 935 NE2 GLN A 59 -18.705 -3.544 -1.108 1.00 0.00 N ATOM 0 H GLN A 59 -13.690 -3.588 -0.257 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.218 -5.304 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.907 -2.410 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -15.490 -3.249 -3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -16.636 -4.908 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -16.023 -4.115 -0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.762 -4.533 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.545 -2.966 -1.094 1.00 0.00 H new ATOM 944 N LYS A 60 -12.194 -2.743 -2.929 1.00 0.00 N ATOM 945 CA LYS A 60 -11.173 -2.207 -3.820 1.00 0.00 C ATOM 946 C LYS A 60 -10.003 -3.172 -3.961 1.00 0.00 C ATOM 947 O LYS A 60 -9.443 -3.328 -5.047 1.00 0.00 O ATOM 948 CB LYS A 60 -10.678 -0.851 -3.311 1.00 0.00 C ATOM 949 CG LYS A 60 -11.699 0.273 -3.421 1.00 0.00 C ATOM 950 CD LYS A 60 -11.124 1.591 -2.924 1.00 0.00 C ATOM 951 CE LYS A 60 -12.158 2.706 -2.989 1.00 0.00 C ATOM 952 NZ LYS A 60 -11.589 4.018 -2.577 1.00 0.00 N ATOM 0 H LYS A 60 -12.287 -2.242 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.624 -2.074 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.381 -0.955 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.785 -0.571 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.015 0.380 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.587 0.019 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.776 1.474 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.256 1.861 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.546 2.782 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.001 2.457 -2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.334 4.743 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.211 3.944 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.824 4.285 -3.229 1.00 0.00 H new ATOM 966 N ARG A 61 -9.639 -3.819 -2.859 1.00 0.00 N ATOM 967 CA ARG A 61 -8.573 -4.814 -2.873 1.00 0.00 C ATOM 968 C ARG A 61 -8.925 -5.986 -3.780 1.00 0.00 C ATOM 969 O ARG A 61 -8.097 -6.444 -4.568 1.00 0.00 O ATOM 970 CB ARG A 61 -8.306 -5.328 -1.466 1.00 0.00 C ATOM 971 CG ARG A 61 -7.200 -6.367 -1.365 1.00 0.00 C ATOM 972 CD ARG A 61 -6.901 -6.715 0.048 1.00 0.00 C ATOM 973 NE ARG A 61 -8.024 -7.375 0.693 1.00 0.00 N ATOM 974 CZ ARG A 61 -8.436 -8.627 0.418 1.00 0.00 C ATOM 975 NH1 ARG A 61 -7.808 -9.342 -0.491 1.00 0.00 N ATOM 976 NH2 ARG A 61 -9.471 -9.139 1.061 1.00 0.00 N ATOM 0 H ARG A 61 -10.067 -3.672 -1.945 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.676 -4.330 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.050 -4.482 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.226 -5.758 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.494 -7.266 -1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.298 -5.987 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.028 -7.366 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.647 -5.809 0.599 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.536 -6.853 1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.009 -8.948 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.120 -10.290 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.958 -8.586 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.783 -10.088 0.852 1.00 0.00 H new ATOM 990 N GLU A 62 -10.159 -6.467 -3.665 1.00 0.00 N ATOM 991 CA GLU A 62 -10.648 -7.534 -4.530 1.00 0.00 C ATOM 992 C GLU A 62 -10.478 -7.173 -6.000 1.00 0.00 C ATOM 993 O GLU A 62 -9.998 -7.981 -6.796 1.00 0.00 O ATOM 994 CB GLU A 62 -12.119 -7.828 -4.233 1.00 0.00 C ATOM 995 CG GLU A 62 -12.716 -8.953 -5.067 1.00 0.00 C ATOM 996 CD GLU A 62 -14.153 -9.234 -4.728 1.00 0.00 C ATOM 997 OE1 GLU A 62 -14.674 -8.586 -3.851 1.00 0.00 O ATOM 998 OE2 GLU A 62 -14.733 -10.095 -5.347 1.00 0.00 O ATOM 0 H GLU A 62 -10.838 -6.134 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.056 -8.426 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.220 -8.081 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.699 -6.921 -4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.641 -8.694 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.129 -9.859 -4.918 1.00 0.00 H new ATOM 1005 N ILE A 63 -10.874 -5.956 -6.354 1.00 0.00 N ATOM 1006 CA ILE A 63 -10.748 -5.478 -7.726 1.00 0.00 C ATOM 1007 C ILE A 63 -9.295 -5.499 -8.185 1.00 0.00 C ATOM 1008 O ILE A 63 -8.988 -5.947 -9.289 1.00 0.00 O ATOM 1009 CB ILE A 63 -11.311 -4.052 -7.866 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -12.829 -4.057 -7.671 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -10.946 -3.466 -9.221 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -13.424 -2.680 -7.482 1.00 0.00 C ATOM 0 H ILE A 63 -11.286 -5.281 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.326 -6.152 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.867 -3.426 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.296 -4.529 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.073 -4.670 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.352 -2.458 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.861 -3.430 -9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.363 -4.090 -10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.503 -2.765 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.986 -2.212 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.213 -2.069 -8.359 1.00 0.00 H new ATOM 1024 N TYR A 64 -8.404 -5.009 -7.329 1.00 0.00 N ATOM 1025 CA TYR A 64 -6.976 -5.006 -7.628 1.00 0.00 C ATOM 1026 C TYR A 64 -6.444 -6.425 -7.789 1.00 0.00 C ATOM 1027 O TYR A 64 -5.772 -6.739 -8.770 1.00 0.00 O ATOM 1028 CB TYR A 64 -6.201 -4.270 -6.533 1.00 0.00 C ATOM 1029 CG TYR A 64 -4.701 -4.308 -6.717 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -4.102 -3.540 -7.704 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -3.923 -5.111 -5.896 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -2.731 -3.575 -7.870 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -2.552 -5.148 -6.063 1.00 0.00 C ATOM 1034 CZ TYR A 64 -1.956 -4.383 -7.046 1.00 0.00 C ATOM 1035 OH TYR A 64 -0.591 -4.418 -7.211 1.00 0.00 O ATOM 0 H TYR A 64 -8.646 -4.609 -6.422 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.833 -4.482 -8.573 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.528 -3.231 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.450 -4.709 -5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.707 -2.914 -8.343 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.389 -5.708 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.263 -2.977 -8.637 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.947 -5.775 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.372 -4.268 -8.154 1.00 0.00 H new ATOM 1045 N ASP A 65 -6.747 -7.279 -6.817 1.00 0.00 N ATOM 1046 CA ASP A 65 -6.219 -8.637 -6.798 1.00 0.00 C ATOM 1047 C ASP A 65 -6.655 -9.414 -8.033 1.00 0.00 C ATOM 1048 O ASP A 65 -5.891 -10.211 -8.579 1.00 0.00 O ATOM 1049 CB ASP A 65 -6.677 -9.373 -5.537 1.00 0.00 C ATOM 1050 CG ASP A 65 -6.071 -8.800 -4.263 1.00 0.00 C ATOM 1051 OD1 ASP A 65 -5.138 -8.040 -4.362 1.00 0.00 O ATOM 1052 OD2 ASP A 65 -6.548 -9.128 -3.202 1.00 0.00 O ATOM 0 H ASP A 65 -7.357 -7.053 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.131 -8.569 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.764 -9.326 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.408 -10.426 -5.619 1.00 0.00 H new ATOM 1057 N GLN A 66 -7.888 -9.179 -8.469 1.00 0.00 N ATOM 1058 CA GLN A 66 -8.476 -9.952 -9.557 1.00 0.00 C ATOM 1059 C GLN A 66 -8.129 -9.348 -10.912 1.00 0.00 C ATOM 1060 O GLN A 66 -7.867 -10.068 -11.875 1.00 0.00 O ATOM 1061 CB GLN A 66 -9.996 -10.034 -9.397 1.00 0.00 C ATOM 1062 CG GLN A 66 -10.453 -10.825 -8.183 1.00 0.00 C ATOM 1063 CD GLN A 66 -10.023 -12.279 -8.245 1.00 0.00 C ATOM 1064 OE1 GLN A 66 -10.202 -12.949 -9.265 1.00 0.00 O ATOM 1065 NE2 GLN A 66 -9.453 -12.774 -7.151 1.00 0.00 N ATOM 0 H GLN A 66 -8.500 -8.459 -8.085 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.059 -10.958 -9.512 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.398 -9.023 -9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.420 -10.487 -10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.048 -10.367 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.539 -10.773 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.325 -12.182 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.143 -13.746 -7.132 1.00 0.00 H new ATOM 1074 N TYR A 67 -8.127 -8.020 -10.980 1.00 0.00 N ATOM 1075 CA TYR A 67 -8.081 -7.318 -12.257 1.00 0.00 C ATOM 1076 C TYR A 67 -6.812 -6.486 -12.382 1.00 0.00 C ATOM 1077 O TYR A 67 -6.149 -6.500 -13.420 1.00 0.00 O ATOM 1078 CB TYR A 67 -9.317 -6.430 -12.424 1.00 0.00 C ATOM 1079 CG TYR A 67 -10.625 -7.184 -12.349 1.00 0.00 C ATOM 1080 CD1 TYR A 67 -10.988 -8.047 -13.374 1.00 0.00 C ATOM 1081 CD2 TYR A 67 -11.463 -7.014 -11.257 1.00 0.00 C ATOM 1082 CE1 TYR A 67 -12.184 -8.736 -13.306 1.00 0.00 C ATOM 1083 CE2 TYR A 67 -12.658 -7.703 -11.190 1.00 0.00 C ATOM 1084 CZ TYR A 67 -13.020 -8.560 -12.209 1.00 0.00 C ATOM 1085 OH TYR A 67 -14.209 -9.247 -12.142 1.00 0.00 O ATOM 0 H TYR A 67 -8.157 -7.408 -10.164 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.075 -8.065 -13.050 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.307 -5.661 -11.652 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.258 -5.918 -13.385 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.336 -8.180 -14.224 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.181 -6.343 -10.459 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.468 -9.409 -14.102 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.310 -7.571 -10.339 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.675 -9.014 -11.312 1.00 0.00 H new ATOM 1095 N GLY A 68 -6.477 -5.761 -11.319 1.00 0.00 N ATOM 1096 CA GLY A 68 -5.222 -5.022 -11.261 1.00 0.00 C ATOM 1097 C GLY A 68 -5.465 -3.548 -10.969 1.00 0.00 C ATOM 1098 O GLY A 68 -6.601 -3.126 -10.761 1.00 0.00 O ATOM 0 H GLY A 68 -7.058 -5.670 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.581 -5.448 -10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.692 -5.125 -12.208 1.00 0.00 H new ATOM 1102 N LEU A 69 -4.388 -2.768 -10.953 1.00 0.00 N ATOM 1103 CA LEU A 69 -4.466 -1.363 -10.571 1.00 0.00 C ATOM 1104 C LEU A 69 -5.316 -0.571 -11.555 1.00 0.00 C ATOM 1105 O LEU A 69 -6.157 0.235 -11.157 1.00 0.00 O ATOM 1106 CB LEU A 69 -3.059 -0.756 -10.494 1.00 0.00 C ATOM 1107 CG LEU A 69 -2.995 0.733 -10.132 1.00 0.00 C ATOM 1108 CD1 LEU A 69 -3.646 0.951 -8.771 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.546 1.192 -10.124 1.00 0.00 C ATOM 0 H LEU A 69 -3.451 -3.086 -11.200 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.937 -1.308 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.482 -1.315 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.569 -0.898 -11.457 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.537 1.321 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.602 2.009 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.687 0.630 -8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.115 0.370 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.501 2.250 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.986 0.615 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.111 1.040 -11.112 1.00 0.00 H new ATOM 1121 N GLU A 70 -5.090 -0.804 -12.845 1.00 0.00 N ATOM 1122 CA GLU A 70 -5.848 -0.125 -13.889 1.00 0.00 C ATOM 1123 C GLU A 70 -7.346 -0.204 -13.624 1.00 0.00 C ATOM 1124 O GLU A 70 -8.053 0.800 -13.704 1.00 0.00 O ATOM 1125 CB GLU A 70 -5.530 -0.732 -15.258 1.00 0.00 C ATOM 1126 CG GLU A 70 -6.247 -0.063 -16.423 1.00 0.00 C ATOM 1127 CD GLU A 70 -5.893 -0.671 -17.752 1.00 0.00 C ATOM 1128 OE1 GLU A 70 -5.105 -1.585 -17.776 1.00 0.00 O ATOM 1129 OE2 GLU A 70 -6.414 -0.222 -18.745 1.00 0.00 O ATOM 0 H GLU A 70 -4.388 -1.458 -13.191 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.554 0.925 -13.884 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.455 -0.674 -15.427 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.794 -1.790 -15.243 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.324 -0.136 -16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.998 0.998 -16.436 1.00 0.00 H new ATOM 1136 N ALA A 71 -7.823 -1.402 -13.306 1.00 0.00 N ATOM 1137 CA ALA A 71 -9.232 -1.607 -12.987 1.00 0.00 C ATOM 1138 C ALA A 71 -9.611 -0.900 -11.693 1.00 0.00 C ATOM 1139 O ALA A 71 -10.687 -0.311 -11.588 1.00 0.00 O ATOM 1140 CB ALA A 71 -9.542 -3.093 -12.890 1.00 0.00 C ATOM 0 H ALA A 71 -7.254 -2.248 -13.262 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.826 -1.176 -13.793 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.597 -3.230 -12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.320 -3.574 -13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.932 -3.542 -12.106 1.00 0.00 H new ATOM 1146 N ALA A 72 -8.721 -0.962 -10.708 1.00 0.00 N ATOM 1147 CA ALA A 72 -8.958 -0.320 -9.421 1.00 0.00 C ATOM 1148 C ALA A 72 -9.123 1.186 -9.577 1.00 0.00 C ATOM 1149 O ALA A 72 -9.921 1.809 -8.879 1.00 0.00 O ATOM 1150 CB ALA A 72 -7.821 -0.629 -8.458 1.00 0.00 C ATOM 0 H ALA A 72 -7.828 -1.451 -10.777 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.886 -0.720 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.012 -0.143 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.752 -1.707 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.883 -0.259 -8.872 1.00 0.00 H new