USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 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 NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 60 MET CE :methyl 177:sc= -0.165 (180deg=-0.156) USER MOD Set 1.2: A 111 MET CE :methyl -155:sc= -0.0208 (180deg=-0.537) USER MOD Set 2.1: A 74 ASN : amide:sc= 0.419 K(o=0.62,f=-0.81!) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.26 F(o=-0.81,f=0.62) USER MOD Set 2.3: A 77 GLN : amide:sc= 0.463 K(o=0.62,f=-0.81) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.0532 K(o=-0.6,f=-1.8) USER MOD Set 3.2: A 27 HIS :FLIP no HD1:sc= -0.547 F(o=-1.5,f=-0.6) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 110 TYR OH : rot 73:sc= -1.1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 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 6 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0188 F(o=-1,f=-0.019) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.088) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.27 (180deg=0.875) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0953 X(o=-0.095,f=-0.13) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 0.858 (180deg=0.0102) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 1.56 (180deg=1.55) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.238 F(o=-0.92,f=-0.24) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0877 F(o=-2.4!,f=-0.088) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 0.344 (180deg=-0.00941) USER MOD Single : A 72 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 84 ASN : amide:sc= 1.02 K(o=1,f=-0.12) USER MOD Single : A 86 HIS : no HD1:sc=-0.00713 X(o=-0.0071,f=-0.0071) USER MOD Single : A 87 SER OG : rot -60:sc= 0 USER MOD Single : A 88 MET CE :methyl -168:sc= 0 (180deg=-0.141) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -170:sc= -0.578 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 1:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 175:sc= 0.575 USER MOD Single : A 115 SER OG : rot 80:sc= 1.17 USER MOD Single : A 116 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.063) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN : amide:sc= 0.185 X(o=0.19,f=0) USER MOD Single : B 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.284 -23.632 -3.331 1.00 21.11 N ATOM 2 CA GLY A 1 -15.209 -23.137 -4.710 1.00 41.35 C ATOM 3 C GLY A 1 -14.573 -21.763 -4.804 1.00 51.22 C ATOM 4 O GLY A 1 -15.143 -20.898 -5.466 1.00 43.13 O ATOM 0 H1 GLY A 1 -15.726 -24.573 -3.324 1.00 21.11 H new ATOM 0 H2 GLY A 1 -14.325 -23.697 -2.933 1.00 21.11 H new ATOM 0 H3 GLY A 1 -15.854 -22.977 -2.758 1.00 21.11 H new ATOM 0 HA2 GLY A 1 -14.636 -23.841 -5.314 1.00 41.35 H new ATOM 0 HA3 GLY A 1 -16.213 -23.098 -5.133 1.00 41.35 H new ATOM 8 N ALA A 2 -13.426 -21.521 -4.167 1.00 54.33 N ATOM 9 CA ALA A 2 -12.719 -20.247 -4.186 1.00 1.14 C ATOM 10 C ALA A 2 -11.247 -20.504 -3.877 1.00 13.44 C ATOM 11 O ALA A 2 -10.895 -21.585 -3.411 1.00 21.43 O ATOM 12 CB ALA A 2 -13.319 -19.310 -3.132 1.00 31.10 C ATOM 0 H ALA A 2 -12.952 -22.230 -3.608 1.00 54.33 H new ATOM 0 HA ALA A 2 -12.814 -19.779 -5.166 1.00 1.14 H new ATOM 0 HB1 ALA A 2 -12.789 -18.358 -3.148 1.00 31.10 H new ATOM 0 HB2 ALA A 2 -14.373 -19.142 -3.352 1.00 31.10 H new ATOM 0 HB3 ALA A 2 -13.222 -19.763 -2.145 1.00 31.10 H new ATOM 18 N MET A 3 -10.390 -19.519 -4.120 1.00 41.13 N ATOM 19 CA MET A 3 -8.948 -19.557 -3.887 1.00 63.41 C ATOM 20 C MET A 3 -8.530 -18.166 -3.395 1.00 44.55 C ATOM 21 O MET A 3 -9.350 -17.237 -3.395 1.00 72.23 O ATOM 22 CB MET A 3 -8.230 -19.944 -5.195 1.00 61.41 C ATOM 23 CG MET A 3 -8.377 -21.432 -5.544 1.00 23.32 C ATOM 24 SD MET A 3 -7.995 -21.832 -7.267 1.00 12.30 S ATOM 25 CE MET A 3 -8.178 -23.634 -7.208 1.00 65.44 C ATOM 0 H MET A 3 -10.696 -18.625 -4.505 1.00 41.13 H new ATOM 0 HA MET A 3 -8.677 -20.301 -3.138 1.00 63.41 H new ATOM 0 HB2 MET A 3 -8.629 -19.344 -6.013 1.00 61.41 H new ATOM 0 HB3 MET A 3 -7.171 -19.700 -5.107 1.00 61.41 H new ATOM 0 HG2 MET A 3 -7.722 -22.012 -4.894 1.00 23.32 H new ATOM 0 HG3 MET A 3 -9.399 -21.745 -5.328 1.00 23.32 H new ATOM 0 HE1 MET A 3 -7.977 -24.053 -8.194 1.00 65.44 H new ATOM 0 HE2 MET A 3 -7.473 -24.048 -6.487 1.00 65.44 H new ATOM 0 HE3 MET A 3 -9.195 -23.887 -6.907 1.00 65.44 H new ATOM 35 N GLY A 4 -7.284 -18.009 -2.940 1.00 31.40 N ATOM 36 CA GLY A 4 -6.790 -16.727 -2.461 1.00 54.25 C ATOM 37 C GLY A 4 -6.504 -15.860 -3.680 1.00 2.23 C ATOM 38 O GLY A 4 -5.457 -16.010 -4.308 1.00 32.13 O ATOM 0 H GLY A 4 -6.599 -18.763 -2.896 1.00 31.40 H new ATOM 0 HA2 GLY A 4 -7.527 -16.249 -1.816 1.00 54.25 H new ATOM 0 HA3 GLY A 4 -5.886 -16.862 -1.867 1.00 54.25 H new ATOM 42 N LYS A 5 -7.434 -14.974 -4.037 1.00 45.13 N ATOM 43 CA LYS A 5 -7.289 -14.086 -5.187 1.00 34.34 C ATOM 44 C LYS A 5 -6.837 -12.705 -4.748 1.00 45.54 C ATOM 45 O LYS A 5 -7.165 -12.273 -3.639 1.00 42.32 O ATOM 46 CB LYS A 5 -8.572 -14.085 -6.021 1.00 71.22 C ATOM 47 CG LYS A 5 -9.834 -13.592 -5.296 1.00 65.14 C ATOM 48 CD LYS A 5 -11.041 -13.843 -6.204 1.00 21.02 C ATOM 49 CE LYS A 5 -12.364 -13.690 -5.452 1.00 10.23 C ATOM 50 NZ LYS A 5 -13.496 -14.114 -6.298 1.00 34.44 N ATOM 0 H LYS A 5 -8.313 -14.853 -3.533 1.00 45.13 H new ATOM 0 HA LYS A 5 -6.501 -14.458 -5.842 1.00 34.34 H new ATOM 0 HB2 LYS A 5 -8.412 -13.461 -6.900 1.00 71.22 H new ATOM 0 HB3 LYS A 5 -8.753 -15.099 -6.379 1.00 71.22 H new ATOM 0 HG2 LYS A 5 -9.957 -14.117 -4.348 1.00 65.14 H new ATOM 0 HG3 LYS A 5 -9.748 -12.530 -5.064 1.00 65.14 H new ATOM 0 HD2 LYS A 5 -11.017 -13.145 -7.041 1.00 21.02 H new ATOM 0 HD3 LYS A 5 -10.976 -14.847 -6.624 1.00 21.02 H new ATOM 0 HE2 LYS A 5 -12.341 -14.287 -4.540 1.00 10.23 H new ATOM 0 HE3 LYS A 5 -12.498 -12.651 -5.150 1.00 10.23 H new ATOM 0 HZ1 LYS A 5 -14.385 -14.003 -5.770 1.00 34.44 H new ATOM 0 HZ2 LYS A 5 -13.527 -13.527 -7.156 1.00 34.44 H new ATOM 0 HZ3 LYS A 5 -13.375 -15.112 -6.565 1.00 34.44 H new ATOM 64 N THR A 6 -6.129 -11.987 -5.617 1.00 53.12 N ATOM 65 CA THR A 6 -5.642 -10.649 -5.307 1.00 71.44 C ATOM 66 C THR A 6 -6.789 -9.631 -5.236 1.00 44.34 C ATOM 67 O THR A 6 -7.943 -9.901 -5.600 1.00 31.14 O ATOM 68 CB THR A 6 -4.593 -10.203 -6.346 1.00 52.43 C ATOM 69 OG1 THR A 6 -5.201 -10.080 -7.615 1.00 63.21 O ATOM 70 CG2 THR A 6 -3.407 -11.160 -6.436 1.00 74.34 C ATOM 0 H THR A 6 -5.879 -12.316 -6.550 1.00 53.12 H new ATOM 0 HA THR A 6 -5.173 -10.689 -4.324 1.00 71.44 H new ATOM 0 HB THR A 6 -4.205 -9.239 -6.016 1.00 52.43 H new ATOM 0 HG1 THR A 6 -4.532 -9.795 -8.272 1.00 63.21 H new ATOM 0 HG21 THR A 6 -2.701 -10.796 -7.183 1.00 74.34 H new ATOM 0 HG22 THR A 6 -2.912 -11.218 -5.467 1.00 74.34 H new ATOM 0 HG23 THR A 6 -3.760 -12.151 -6.723 1.00 74.34 H new ATOM 78 N PHE A 7 -6.465 -8.413 -4.798 1.00 31.22 N ATOM 79 CA PHE A 7 -7.418 -7.314 -4.712 1.00 30.42 C ATOM 80 C PHE A 7 -7.893 -7.016 -6.146 1.00 34.40 C ATOM 81 O PHE A 7 -9.093 -6.979 -6.412 1.00 52.34 O ATOM 82 CB PHE A 7 -6.757 -6.085 -4.056 1.00 32.30 C ATOM 83 CG PHE A 7 -5.684 -5.428 -4.893 1.00 41.35 C ATOM 84 CD1 PHE A 7 -4.400 -5.998 -4.942 1.00 54.34 C ATOM 85 CD2 PHE A 7 -5.995 -4.321 -5.706 1.00 13.30 C ATOM 86 CE1 PHE A 7 -3.439 -5.486 -5.823 1.00 2.33 C ATOM 87 CE2 PHE A 7 -5.029 -3.812 -6.588 1.00 5.40 C ATOM 88 CZ PHE A 7 -3.758 -4.401 -6.650 1.00 22.02 C ATOM 0 H PHE A 7 -5.525 -8.163 -4.491 1.00 31.22 H new ATOM 0 HA PHE A 7 -8.273 -7.575 -4.088 1.00 30.42 H new ATOM 0 HB2 PHE A 7 -7.529 -5.348 -3.835 1.00 32.30 H new ATOM 0 HB3 PHE A 7 -6.322 -6.387 -3.103 1.00 32.30 H new ATOM 0 HD1 PHE A 7 -4.154 -6.831 -4.300 1.00 54.34 H new ATOM 0 HD2 PHE A 7 -6.973 -3.866 -5.651 1.00 13.30 H new ATOM 0 HE1 PHE A 7 -2.454 -5.927 -5.865 1.00 2.33 H new ATOM 0 HE2 PHE A 7 -5.264 -2.967 -7.218 1.00 5.40 H new ATOM 0 HZ PHE A 7 -3.021 -4.016 -7.339 1.00 22.02 H new ATOM 98 N LYS A 8 -6.962 -6.894 -7.106 1.00 22.12 N ATOM 99 CA LYS A 8 -7.289 -6.622 -8.502 1.00 30.32 C ATOM 100 C LYS A 8 -8.099 -7.775 -9.097 1.00 74.44 C ATOM 101 O LYS A 8 -9.003 -7.538 -9.888 1.00 65.45 O ATOM 102 CB LYS A 8 -6.032 -6.237 -9.308 1.00 70.42 C ATOM 103 CG LYS A 8 -4.938 -7.309 -9.415 1.00 62.14 C ATOM 104 CD LYS A 8 -3.853 -6.952 -10.447 1.00 32.22 C ATOM 105 CE LYS A 8 -3.043 -5.711 -10.065 1.00 61.22 C ATOM 106 NZ LYS A 8 -1.968 -5.423 -11.040 1.00 72.25 N ATOM 0 H LYS A 8 -5.961 -6.983 -6.928 1.00 22.12 H new ATOM 0 HA LYS A 8 -7.935 -5.746 -8.559 1.00 30.32 H new ATOM 0 HB2 LYS A 8 -6.343 -5.963 -10.316 1.00 70.42 H new ATOM 0 HB3 LYS A 8 -5.595 -5.346 -8.856 1.00 70.42 H new ATOM 0 HG2 LYS A 8 -4.473 -7.446 -8.439 1.00 62.14 H new ATOM 0 HG3 LYS A 8 -5.394 -8.261 -9.688 1.00 62.14 H new ATOM 0 HD2 LYS A 8 -3.176 -7.799 -10.561 1.00 32.22 H new ATOM 0 HD3 LYS A 8 -4.323 -6.787 -11.417 1.00 32.22 H new ATOM 0 HE2 LYS A 8 -3.709 -4.851 -9.997 1.00 61.22 H new ATOM 0 HE3 LYS A 8 -2.606 -5.855 -9.077 1.00 61.22 H new ATOM 0 HZ1 LYS A 8 -1.446 -4.575 -10.741 1.00 72.25 H new ATOM 0 HZ2 LYS A 8 -1.316 -6.232 -11.087 1.00 72.25 H new ATOM 0 HZ3 LYS A 8 -2.385 -5.260 -11.979 1.00 72.25 H new ATOM 120 N GLN A 9 -7.851 -9.028 -8.706 1.00 61.21 N ATOM 121 CA GLN A 9 -8.622 -10.151 -9.228 1.00 61.34 C ATOM 122 C GLN A 9 -10.070 -10.097 -8.725 1.00 1.22 C ATOM 123 O GLN A 9 -10.972 -10.476 -9.473 1.00 45.21 O ATOM 124 CB GLN A 9 -7.965 -11.471 -8.822 1.00 65.41 C ATOM 125 CG GLN A 9 -6.755 -11.825 -9.706 1.00 41.45 C ATOM 126 CD GLN A 9 -7.079 -12.492 -11.040 1.00 5.20 C ATOM 127 OE1 GLN A 9 -8.192 -13.193 -11.144 1.00 41.53 O flip ATOM 128 NE2 GLN A 9 -6.300 -12.401 -11.987 1.00 24.02 N flip ATOM 0 H GLN A 9 -7.127 -9.286 -8.035 1.00 61.21 H new ATOM 0 HA GLN A 9 -8.638 -10.085 -10.316 1.00 61.34 H new ATOM 0 HB2 GLN A 9 -7.645 -11.409 -7.782 1.00 65.41 H new ATOM 0 HB3 GLN A 9 -8.701 -12.273 -8.882 1.00 65.41 H new ATOM 0 HG2 GLN A 9 -6.195 -10.911 -9.905 1.00 41.45 H new ATOM 0 HG3 GLN A 9 -6.097 -12.486 -9.141 1.00 41.45 H new ATOM 0 HE21 GLN A 9 -5.443 -11.856 -11.892 1.00 24.02 H new ATOM 0 HE22 GLN A 9 -6.511 -12.871 -12.868 1.00 24.02 H new ATOM 137 N ARG A 10 -10.329 -9.615 -7.495 1.00 21.30 N ATOM 138 CA ARG A 10 -11.711 -9.559 -6.997 1.00 5.11 C ATOM 139 C ARG A 10 -12.539 -8.418 -7.594 1.00 64.13 C ATOM 140 O ARG A 10 -13.755 -8.424 -7.440 1.00 13.44 O ATOM 141 CB ARG A 10 -11.802 -9.550 -5.451 1.00 52.52 C ATOM 142 CG ARG A 10 -11.246 -8.309 -4.722 1.00 5.51 C ATOM 143 CD ARG A 10 -11.991 -7.892 -3.438 1.00 74.25 C ATOM 144 NE ARG A 10 -12.253 -9.015 -2.527 1.00 44.12 N ATOM 145 CZ ARG A 10 -12.779 -8.947 -1.294 1.00 71.32 C ATOM 146 NH1 ARG A 10 -12.926 -7.799 -0.642 1.00 51.12 N ATOM 147 NH2 ARG A 10 -13.188 -10.056 -0.702 1.00 63.44 N ATOM 0 H ARG A 10 -9.622 -9.269 -6.847 1.00 21.30 H new ATOM 0 HA ARG A 10 -12.156 -10.490 -7.349 1.00 5.11 H new ATOM 0 HB2 ARG A 10 -12.850 -9.665 -5.173 1.00 52.52 H new ATOM 0 HB3 ARG A 10 -11.275 -10.427 -5.076 1.00 52.52 H new ATOM 0 HG2 ARG A 10 -10.203 -8.498 -4.469 1.00 5.51 H new ATOM 0 HG3 ARG A 10 -11.259 -7.468 -5.416 1.00 5.51 H new ATOM 0 HD2 ARG A 10 -11.404 -7.138 -2.914 1.00 74.25 H new ATOM 0 HD3 ARG A 10 -12.938 -7.426 -3.711 1.00 74.25 H new ATOM 0 HE ARG A 10 -12.009 -9.945 -2.868 1.00 44.12 H new ATOM 0 HH11 ARG A 10 -12.634 -6.924 -1.078 1.00 51.12 H new ATOM 0 HH12 ARG A 10 -13.331 -7.792 0.294 1.00 51.12 H new ATOM 0 HH21 ARG A 10 -13.102 -10.952 -1.182 1.00 63.44 H new ATOM 0 HH22 ARG A 10 -13.589 -10.016 0.235 1.00 63.44 H new ATOM 161 N ARG A 11 -11.935 -7.427 -8.256 1.00 10.11 N ATOM 162 CA ARG A 11 -12.649 -6.288 -8.827 1.00 13.54 C ATOM 163 C ARG A 11 -12.043 -5.972 -10.199 1.00 25.13 C ATOM 164 O ARG A 11 -10.875 -5.585 -10.269 1.00 21.11 O ATOM 165 CB ARG A 11 -12.574 -5.124 -7.808 1.00 5.30 C ATOM 166 CG ARG A 11 -13.430 -5.379 -6.539 1.00 61.23 C ATOM 167 CD ARG A 11 -13.326 -4.257 -5.494 1.00 64.10 C ATOM 168 NE ARG A 11 -14.024 -4.585 -4.235 1.00 24.31 N ATOM 169 CZ ARG A 11 -15.301 -4.327 -3.926 1.00 34.11 C ATOM 170 NH1 ARG A 11 -16.076 -3.662 -4.771 1.00 52.32 N ATOM 171 NH2 ARG A 11 -15.803 -4.762 -2.773 1.00 23.33 N ATOM 0 H ARG A 11 -10.927 -7.395 -8.410 1.00 10.11 H new ATOM 0 HA ARG A 11 -13.706 -6.490 -9.001 1.00 13.54 H new ATOM 0 HB2 ARG A 11 -11.535 -4.970 -7.515 1.00 5.30 H new ATOM 0 HB3 ARG A 11 -12.909 -4.205 -8.288 1.00 5.30 H new ATOM 0 HG2 ARG A 11 -14.473 -5.497 -6.832 1.00 61.23 H new ATOM 0 HG3 ARG A 11 -13.119 -6.319 -6.083 1.00 61.23 H new ATOM 0 HD2 ARG A 11 -12.275 -4.060 -5.282 1.00 64.10 H new ATOM 0 HD3 ARG A 11 -13.745 -3.340 -5.909 1.00 64.10 H new ATOM 0 HE ARG A 11 -13.472 -5.061 -3.521 1.00 24.31 H new ATOM 0 HH11 ARG A 11 -15.701 -3.343 -5.664 1.00 52.32 H new ATOM 0 HH12 ARG A 11 -17.048 -3.469 -4.528 1.00 52.32 H new ATOM 0 HH21 ARG A 11 -15.215 -5.290 -2.128 1.00 23.33 H new ATOM 0 HH22 ARG A 11 -16.775 -4.567 -2.534 1.00 23.33 H new ATOM 185 N THR A 12 -12.798 -6.151 -11.290 1.00 23.43 N ATOM 186 CA THR A 12 -12.322 -5.898 -12.658 1.00 1.14 C ATOM 187 C THR A 12 -11.865 -4.443 -12.826 1.00 73.12 C ATOM 188 O THR A 12 -12.260 -3.595 -12.033 1.00 12.31 O ATOM 189 CB THR A 12 -13.403 -6.286 -13.684 1.00 20.14 C ATOM 190 OG1 THR A 12 -12.794 -6.458 -14.945 1.00 41.43 O ATOM 191 CG2 THR A 12 -14.542 -5.272 -13.815 1.00 4.33 C ATOM 0 H THR A 12 -13.763 -6.478 -11.249 1.00 23.43 H new ATOM 0 HA THR A 12 -11.450 -6.526 -12.843 1.00 1.14 H new ATOM 0 HB THR A 12 -13.856 -7.208 -13.320 1.00 20.14 H new ATOM 0 HG1 THR A 12 -13.474 -6.707 -15.605 1.00 41.43 H new ATOM 0 HG21 THR A 12 -15.258 -5.623 -14.558 1.00 4.33 H new ATOM 0 HG22 THR A 12 -15.042 -5.160 -12.853 1.00 4.33 H new ATOM 0 HG23 THR A 12 -14.138 -4.309 -14.128 1.00 4.33 H new ATOM 199 N PHE A 13 -11.093 -4.145 -13.882 1.00 35.02 N ATOM 200 CA PHE A 13 -10.535 -2.824 -14.194 1.00 13.13 C ATOM 201 C PHE A 13 -11.527 -1.682 -13.971 1.00 34.02 C ATOM 202 O PHE A 13 -11.189 -0.702 -13.310 1.00 21.35 O ATOM 203 CB PHE A 13 -9.970 -2.811 -15.622 1.00 41.42 C ATOM 204 CG PHE A 13 -9.140 -1.577 -15.948 1.00 55.41 C ATOM 205 CD1 PHE A 13 -9.767 -0.333 -16.160 1.00 55.41 C ATOM 206 CD2 PHE A 13 -7.735 -1.657 -15.999 1.00 22.23 C ATOM 207 CE1 PHE A 13 -8.999 0.833 -16.322 1.00 52.21 C ATOM 208 CE2 PHE A 13 -6.968 -0.496 -16.207 1.00 72.45 C ATOM 209 CZ PHE A 13 -7.598 0.753 -16.329 1.00 60.03 C ATOM 0 H PHE A 13 -10.830 -4.850 -14.571 1.00 35.02 H new ATOM 0 HA PHE A 13 -9.721 -2.646 -13.491 1.00 13.13 H new ATOM 0 HB2 PHE A 13 -9.354 -3.699 -15.766 1.00 41.42 H new ATOM 0 HB3 PHE A 13 -10.797 -2.878 -16.329 1.00 41.42 H new ATOM 0 HD1 PHE A 13 -10.845 -0.275 -16.198 1.00 55.41 H new ATOM 0 HD2 PHE A 13 -7.245 -2.612 -15.878 1.00 22.23 H new ATOM 0 HE1 PHE A 13 -9.487 1.789 -16.441 1.00 52.21 H new ATOM 0 HE2 PHE A 13 -5.892 -0.566 -16.273 1.00 72.45 H new ATOM 0 HZ PHE A 13 -7.005 1.650 -16.428 1.00 60.03 H new ATOM 219 N GLU A 14 -12.755 -1.803 -14.475 1.00 35.21 N ATOM 220 CA GLU A 14 -13.782 -0.775 -14.312 1.00 43.22 C ATOM 221 C GLU A 14 -14.002 -0.494 -12.822 1.00 20.31 C ATOM 222 O GLU A 14 -13.904 0.644 -12.362 1.00 31.24 O ATOM 223 CB GLU A 14 -15.061 -1.221 -15.019 1.00 42.41 C ATOM 224 CG GLU A 14 -14.863 -1.304 -16.537 1.00 42.41 C ATOM 225 CD GLU A 14 -16.213 -1.286 -17.239 1.00 0.14 C ATOM 226 OE1 GLU A 14 -16.771 -0.177 -17.402 1.00 33.12 O ATOM 227 OE2 GLU A 14 -16.753 -2.361 -17.567 1.00 4.42 O ATOM 0 H GLU A 14 -13.065 -2.616 -15.007 1.00 35.21 H new ATOM 0 HA GLU A 14 -13.461 0.160 -14.771 1.00 43.22 H new ATOM 0 HB2 GLU A 14 -15.369 -2.194 -14.637 1.00 42.41 H new ATOM 0 HB3 GLU A 14 -15.866 -0.521 -14.794 1.00 42.41 H new ATOM 0 HG2 GLU A 14 -14.255 -0.467 -16.879 1.00 42.41 H new ATOM 0 HG3 GLU A 14 -14.323 -2.216 -16.792 1.00 42.41 H new ATOM 234 N GLN A 15 -14.247 -1.553 -12.051 1.00 52.21 N ATOM 235 CA GLN A 15 -14.442 -1.487 -10.616 1.00 1.55 C ATOM 236 C GLN A 15 -13.171 -0.940 -9.944 1.00 3.34 C ATOM 237 O GLN A 15 -13.259 -0.409 -8.842 1.00 22.35 O ATOM 238 CB GLN A 15 -14.832 -2.871 -10.068 1.00 65.41 C ATOM 239 CG GLN A 15 -15.343 -2.856 -8.617 1.00 33.13 C ATOM 240 CD GLN A 15 -16.681 -2.135 -8.469 1.00 45.13 C ATOM 241 OE1 GLN A 15 -17.658 -2.529 -9.098 1.00 62.30 O ATOM 242 NE2 GLN A 15 -16.770 -1.135 -7.613 1.00 22.05 N ATOM 0 H GLN A 15 -14.316 -2.500 -12.423 1.00 52.21 H new ATOM 0 HA GLN A 15 -15.261 -0.805 -10.388 1.00 1.55 H new ATOM 0 HB2 GLN A 15 -15.604 -3.298 -10.708 1.00 65.41 H new ATOM 0 HB3 GLN A 15 -13.966 -3.530 -10.129 1.00 65.41 H new ATOM 0 HG2 GLN A 15 -15.447 -3.881 -8.262 1.00 33.13 H new ATOM 0 HG3 GLN A 15 -14.602 -2.372 -7.981 1.00 33.13 H new ATOM 0 HE21 GLN A 15 -15.943 -0.826 -7.102 1.00 22.05 H new ATOM 0 HE22 GLN A 15 -17.666 -0.671 -7.462 1.00 22.05 H new ATOM 251 N ARG A 16 -11.965 -1.143 -10.491 1.00 64.01 N ATOM 252 CA ARG A 16 -10.727 -0.647 -9.880 1.00 73.31 C ATOM 253 C ARG A 16 -10.703 0.868 -9.914 1.00 21.41 C ATOM 254 O ARG A 16 -10.520 1.479 -8.859 1.00 32.21 O ATOM 255 CB ARG A 16 -9.456 -1.198 -10.542 1.00 54.35 C ATOM 256 CG ARG A 16 -9.379 -2.723 -10.524 1.00 34.10 C ATOM 257 CD ARG A 16 -8.182 -3.298 -11.282 1.00 61.13 C ATOM 258 NE ARG A 16 -8.445 -4.713 -11.576 1.00 32.21 N ATOM 259 CZ ARG A 16 -7.760 -5.512 -12.395 1.00 24.01 C ATOM 260 NH1 ARG A 16 -6.739 -5.078 -13.124 1.00 40.43 N ATOM 261 NH2 ARG A 16 -8.083 -6.792 -12.443 1.00 15.32 N ATOM 0 H ARG A 16 -11.821 -1.652 -11.363 1.00 64.01 H new ATOM 0 HA ARG A 16 -10.727 -1.005 -8.850 1.00 73.31 H new ATOM 0 HB2 ARG A 16 -9.413 -0.851 -11.574 1.00 54.35 H new ATOM 0 HB3 ARG A 16 -8.583 -0.791 -10.032 1.00 54.35 H new ATOM 0 HG2 ARG A 16 -9.336 -3.061 -9.489 1.00 34.10 H new ATOM 0 HG3 ARG A 16 -10.295 -3.127 -10.954 1.00 34.10 H new ATOM 0 HD2 ARG A 16 -8.019 -2.744 -12.207 1.00 61.13 H new ATOM 0 HD3 ARG A 16 -7.275 -3.198 -10.686 1.00 61.13 H new ATOM 0 HE ARG A 16 -9.243 -5.133 -11.099 1.00 32.21 H new ATOM 0 HH11 ARG A 16 -6.453 -4.101 -13.070 1.00 40.43 H new ATOM 0 HH12 ARG A 16 -6.241 -5.722 -13.739 1.00 40.43 H new ATOM 0 HH21 ARG A 16 -8.841 -7.149 -11.862 1.00 15.32 H new ATOM 0 HH22 ARG A 16 -7.574 -7.424 -13.061 1.00 15.32 H new ATOM 275 N VAL A 17 -10.906 1.474 -11.082 1.00 12.11 N ATOM 276 CA VAL A 17 -10.897 2.927 -11.175 1.00 31.34 C ATOM 277 C VAL A 17 -12.063 3.515 -10.366 1.00 71.31 C ATOM 278 O VAL A 17 -11.885 4.534 -9.691 1.00 73.22 O ATOM 279 CB VAL A 17 -10.827 3.369 -12.648 1.00 63.31 C ATOM 280 CG1 VAL A 17 -11.932 2.812 -13.549 1.00 44.23 C ATOM 281 CG2 VAL A 17 -10.859 4.888 -12.751 1.00 52.30 C ATOM 0 H VAL A 17 -11.076 0.988 -11.963 1.00 12.11 H new ATOM 0 HA VAL A 17 -9.997 3.337 -10.717 1.00 31.34 H new ATOM 0 HB VAL A 17 -9.885 2.955 -13.007 1.00 63.31 H new ATOM 0 HG11 VAL A 17 -11.794 3.182 -14.565 1.00 44.23 H new ATOM 0 HG12 VAL A 17 -11.886 1.723 -13.550 1.00 44.23 H new ATOM 0 HG13 VAL A 17 -12.904 3.134 -13.175 1.00 44.23 H new ATOM 0 HG21 VAL A 17 -10.809 5.183 -13.799 1.00 52.30 H new ATOM 0 HG22 VAL A 17 -11.784 5.263 -12.313 1.00 52.30 H new ATOM 0 HG23 VAL A 17 -10.007 5.307 -12.215 1.00 52.30 H new ATOM 291 N GLU A 18 -13.221 2.847 -10.365 1.00 12.22 N ATOM 292 CA GLU A 18 -14.404 3.278 -9.632 1.00 3.33 C ATOM 293 C GLU A 18 -14.129 3.262 -8.119 1.00 44.53 C ATOM 294 O GLU A 18 -14.538 4.160 -7.387 1.00 62.13 O ATOM 295 CB GLU A 18 -15.575 2.373 -10.034 1.00 63.42 C ATOM 296 CG GLU A 18 -16.879 2.733 -9.315 1.00 2.12 C ATOM 297 CD GLU A 18 -18.091 2.313 -10.143 1.00 71.11 C ATOM 298 OE1 GLU A 18 -18.407 3.047 -11.108 1.00 15.25 O ATOM 299 OE2 GLU A 18 -18.694 1.256 -9.850 1.00 54.14 O ATOM 0 H GLU A 18 -13.359 1.979 -10.883 1.00 12.22 H new ATOM 0 HA GLU A 18 -14.665 4.306 -9.883 1.00 3.33 H new ATOM 0 HB2 GLU A 18 -15.728 2.442 -11.111 1.00 63.42 H new ATOM 0 HB3 GLU A 18 -15.319 1.336 -9.815 1.00 63.42 H new ATOM 0 HG2 GLU A 18 -16.910 2.242 -8.342 1.00 2.12 H new ATOM 0 HG3 GLU A 18 -16.913 3.807 -9.131 1.00 2.12 H new ATOM 306 N ASP A 19 -13.386 2.269 -7.646 1.00 70.42 N ATOM 307 CA ASP A 19 -13.015 2.110 -6.244 1.00 63.02 C ATOM 308 C ASP A 19 -12.078 3.234 -5.834 1.00 53.40 C ATOM 309 O ASP A 19 -12.197 3.765 -4.732 1.00 23.41 O ATOM 310 CB ASP A 19 -12.353 0.746 -6.131 1.00 31.42 C ATOM 311 CG ASP A 19 -11.979 0.195 -4.768 1.00 13.33 C ATOM 312 OD1 ASP A 19 -11.063 0.716 -4.099 1.00 23.12 O ATOM 313 OD2 ASP A 19 -12.416 -0.949 -4.512 1.00 25.42 O ATOM 0 H ASP A 19 -13.014 1.531 -8.244 1.00 70.42 H new ATOM 0 HA ASP A 19 -13.876 2.162 -5.578 1.00 63.02 H new ATOM 0 HB2 ASP A 19 -13.019 0.023 -6.602 1.00 31.42 H new ATOM 0 HB3 ASP A 19 -11.442 0.777 -6.729 1.00 31.42 H new ATOM 318 N VAL A 20 -11.147 3.617 -6.717 1.00 53.32 N ATOM 319 CA VAL A 20 -10.223 4.708 -6.440 1.00 65.04 C ATOM 320 C VAL A 20 -11.070 5.969 -6.216 1.00 45.11 C ATOM 321 O VAL A 20 -11.019 6.513 -5.113 1.00 63.01 O ATOM 322 CB VAL A 20 -9.156 4.854 -7.554 1.00 74.40 C ATOM 323 CG1 VAL A 20 -8.256 6.071 -7.321 1.00 42.33 C ATOM 324 CG2 VAL A 20 -8.215 3.642 -7.637 1.00 12.44 C ATOM 0 H VAL A 20 -11.019 3.182 -7.630 1.00 53.32 H new ATOM 0 HA VAL A 20 -9.638 4.512 -5.542 1.00 65.04 H new ATOM 0 HB VAL A 20 -9.732 4.953 -8.474 1.00 74.40 H new ATOM 0 HG11 VAL A 20 -7.521 6.139 -8.123 1.00 42.33 H new ATOM 0 HG12 VAL A 20 -8.864 6.976 -7.308 1.00 42.33 H new ATOM 0 HG13 VAL A 20 -7.742 5.966 -6.366 1.00 42.33 H new ATOM 0 HG21 VAL A 20 -7.489 3.799 -8.434 1.00 12.44 H new ATOM 0 HG22 VAL A 20 -7.692 3.522 -6.688 1.00 12.44 H new ATOM 0 HG23 VAL A 20 -8.796 2.744 -7.847 1.00 12.44 H new ATOM 334 N ARG A 21 -11.892 6.406 -7.184 1.00 73.01 N ATOM 335 CA ARG A 21 -12.708 7.618 -7.030 1.00 13.54 C ATOM 336 C ARG A 21 -13.608 7.574 -5.804 1.00 54.54 C ATOM 337 O ARG A 21 -13.696 8.579 -5.106 1.00 54.10 O ATOM 338 CB ARG A 21 -13.518 7.987 -8.302 1.00 61.31 C ATOM 339 CG ARG A 21 -14.472 6.929 -8.883 1.00 12.55 C ATOM 340 CD ARG A 21 -15.868 6.862 -8.249 1.00 62.41 C ATOM 341 NE ARG A 21 -16.838 7.736 -8.918 1.00 1.11 N ATOM 342 CZ ARG A 21 -17.896 7.351 -9.643 1.00 0.31 C ATOM 343 NH1 ARG A 21 -18.090 6.073 -9.949 1.00 54.41 N ATOM 344 NH2 ARG A 21 -18.773 8.251 -10.061 1.00 42.21 N ATOM 0 H ARG A 21 -12.008 5.936 -8.082 1.00 73.01 H new ATOM 0 HA ARG A 21 -11.984 8.418 -6.876 1.00 13.54 H new ATOM 0 HB2 ARG A 21 -14.104 8.878 -8.078 1.00 61.31 H new ATOM 0 HB3 ARG A 21 -12.808 8.261 -9.082 1.00 61.31 H new ATOM 0 HG2 ARG A 21 -14.588 7.120 -9.950 1.00 12.55 H new ATOM 0 HG3 ARG A 21 -14.002 5.951 -8.783 1.00 12.55 H new ATOM 0 HD2 ARG A 21 -16.228 5.834 -8.283 1.00 62.41 H new ATOM 0 HD3 ARG A 21 -15.799 7.141 -7.198 1.00 62.41 H new ATOM 0 HE ARG A 21 -16.691 8.741 -8.821 1.00 1.11 H new ATOM 0 HH11 ARG A 21 -17.427 5.366 -9.631 1.00 54.41 H new ATOM 0 HH12 ARG A 21 -18.902 5.799 -10.502 1.00 54.41 H new ATOM 0 HH21 ARG A 21 -18.642 9.236 -9.831 1.00 42.21 H new ATOM 0 HH22 ARG A 21 -19.579 7.959 -10.613 1.00 42.21 H new ATOM 358 N LEU A 22 -14.243 6.434 -5.510 1.00 10.51 N ATOM 359 CA LEU A 22 -15.136 6.299 -4.372 1.00 33.33 C ATOM 360 C LEU A 22 -14.395 6.656 -3.096 1.00 41.43 C ATOM 361 O LEU A 22 -14.866 7.471 -2.299 1.00 3.23 O ATOM 362 CB LEU A 22 -15.672 4.858 -4.311 1.00 24.35 C ATOM 363 CG LEU A 22 -16.881 4.629 -5.233 1.00 23.41 C ATOM 364 CD1 LEU A 22 -17.089 3.134 -5.490 1.00 33.51 C ATOM 365 CD2 LEU A 22 -18.155 5.232 -4.632 1.00 30.12 C ATOM 0 H LEU A 22 -14.146 5.581 -6.061 1.00 10.51 H new ATOM 0 HA LEU A 22 -15.980 6.980 -4.480 1.00 33.33 H new ATOM 0 HB2 LEU A 22 -14.875 4.167 -4.587 1.00 24.35 H new ATOM 0 HB3 LEU A 22 -15.955 4.624 -3.285 1.00 24.35 H new ATOM 0 HG LEU A 22 -16.673 5.128 -6.180 1.00 23.41 H new ATOM 0 HD11 LEU A 22 -17.949 2.994 -6.144 1.00 33.51 H new ATOM 0 HD12 LEU A 22 -16.200 2.719 -5.965 1.00 33.51 H new ATOM 0 HD13 LEU A 22 -17.266 2.623 -4.543 1.00 33.51 H new ATOM 0 HD21 LEU A 22 -18.994 5.055 -5.305 1.00 30.12 H new ATOM 0 HD22 LEU A 22 -18.359 4.766 -3.668 1.00 30.12 H new ATOM 0 HD23 LEU A 22 -18.020 6.305 -4.495 1.00 30.12 H new ATOM 377 N ILE A 23 -13.230 6.047 -2.904 1.00 53.42 N ATOM 378 CA ILE A 23 -12.391 6.260 -1.742 1.00 11.15 C ATOM 379 C ILE A 23 -11.840 7.683 -1.733 1.00 32.43 C ATOM 380 O ILE A 23 -11.866 8.312 -0.682 1.00 32.41 O ATOM 381 CB ILE A 23 -11.334 5.155 -1.711 1.00 11.15 C ATOM 382 CG1 ILE A 23 -12.008 3.780 -1.503 1.00 45.14 C ATOM 383 CG2 ILE A 23 -10.268 5.385 -0.641 1.00 31.52 C ATOM 384 CD1 ILE A 23 -12.629 3.505 -0.127 1.00 50.12 C ATOM 0 H ILE A 23 -12.839 5.379 -3.568 1.00 53.42 H new ATOM 0 HA ILE A 23 -12.957 6.185 -0.814 1.00 11.15 H new ATOM 0 HB ILE A 23 -10.826 5.175 -2.675 1.00 11.15 H new ATOM 0 HG12 ILE A 23 -12.790 3.670 -2.255 1.00 45.14 H new ATOM 0 HG13 ILE A 23 -11.266 3.007 -1.699 1.00 45.14 H new ATOM 0 HG21 ILE A 23 -9.545 4.569 -0.666 1.00 31.52 H new ATOM 0 HG22 ILE A 23 -9.757 6.329 -0.833 1.00 31.52 H new ATOM 0 HG23 ILE A 23 -10.740 5.421 0.341 1.00 31.52 H new ATOM 0 HD11 ILE A 23 -13.067 2.507 -0.118 1.00 50.12 H new ATOM 0 HD12 ILE A 23 -11.857 3.570 0.640 1.00 50.12 H new ATOM 0 HD13 ILE A 23 -13.405 4.243 0.076 1.00 50.12 H new ATOM 396 N ARG A 24 -11.386 8.228 -2.865 1.00 30.31 N ATOM 397 CA ARG A 24 -10.860 9.595 -2.907 1.00 43.00 C ATOM 398 C ARG A 24 -11.950 10.622 -2.594 1.00 51.13 C ATOM 399 O ARG A 24 -11.642 11.729 -2.173 1.00 11.11 O ATOM 400 CB ARG A 24 -10.245 9.907 -4.274 1.00 50.51 C ATOM 401 CG ARG A 24 -9.130 8.932 -4.677 1.00 65.42 C ATOM 402 CD ARG A 24 -7.924 9.640 -5.270 1.00 32.33 C ATOM 403 NE ARG A 24 -7.116 10.313 -4.239 1.00 52.34 N ATOM 404 CZ ARG A 24 -6.449 11.461 -4.441 1.00 31.43 C ATOM 405 NH1 ARG A 24 -6.402 12.016 -5.650 1.00 65.10 N ATOM 406 NH2 ARG A 24 -5.816 12.051 -3.433 1.00 44.43 N ATOM 0 H ARG A 24 -11.372 7.744 -3.763 1.00 30.31 H new ATOM 0 HA ARG A 24 -10.085 9.662 -2.144 1.00 43.00 H new ATOM 0 HB2 ARG A 24 -11.029 9.884 -5.031 1.00 50.51 H new ATOM 0 HB3 ARG A 24 -9.844 10.921 -4.261 1.00 50.51 H new ATOM 0 HG2 ARG A 24 -8.818 8.360 -3.803 1.00 65.42 H new ATOM 0 HG3 ARG A 24 -9.521 8.218 -5.402 1.00 65.42 H new ATOM 0 HD2 ARG A 24 -7.305 8.917 -5.801 1.00 32.33 H new ATOM 0 HD3 ARG A 24 -8.259 10.373 -6.004 1.00 32.33 H new ATOM 0 HE ARG A 24 -7.060 9.881 -3.316 1.00 52.34 H new ATOM 0 HH11 ARG A 24 -6.876 11.569 -6.435 1.00 65.10 H new ATOM 0 HH12 ARG A 24 -5.892 12.888 -5.791 1.00 65.10 H new ATOM 0 HH21 ARG A 24 -5.836 11.632 -2.503 1.00 44.43 H new ATOM 0 HH22 ARG A 24 -5.310 12.923 -3.589 1.00 44.43 H new ATOM 420 N GLU A 25 -13.218 10.285 -2.810 1.00 61.30 N ATOM 421 CA GLU A 25 -14.341 11.166 -2.546 1.00 65.31 C ATOM 422 C GLU A 25 -14.645 11.157 -1.047 1.00 53.43 C ATOM 423 O GLU A 25 -14.774 12.229 -0.458 1.00 43.14 O ATOM 424 CB GLU A 25 -15.504 10.747 -3.450 1.00 1.32 C ATOM 425 CG GLU A 25 -16.790 11.553 -3.243 1.00 70.51 C ATOM 426 CD GLU A 25 -17.701 10.915 -2.198 1.00 1.11 C ATOM 427 OE1 GLU A 25 -18.037 9.717 -2.344 1.00 74.12 O ATOM 428 OE2 GLU A 25 -18.124 11.614 -1.253 1.00 25.23 O ATOM 0 H GLU A 25 -13.494 9.375 -3.180 1.00 61.30 H new ATOM 0 HA GLU A 25 -14.125 12.206 -2.790 1.00 65.31 H new ATOM 0 HB2 GLU A 25 -15.193 10.844 -4.490 1.00 1.32 H new ATOM 0 HB3 GLU A 25 -15.719 9.692 -3.279 1.00 1.32 H new ATOM 0 HG2 GLU A 25 -16.537 12.567 -2.933 1.00 70.51 H new ATOM 0 HG3 GLU A 25 -17.324 11.633 -4.190 1.00 70.51 H new ATOM 435 N GLN A 26 -14.762 9.984 -0.410 1.00 42.34 N ATOM 436 CA GLN A 26 -15.032 9.931 1.033 1.00 33.54 C ATOM 437 C GLN A 26 -13.804 10.385 1.838 1.00 34.22 C ATOM 438 O GLN A 26 -13.941 11.106 2.826 1.00 43.20 O ATOM 439 CB GLN A 26 -15.511 8.535 1.488 1.00 71.33 C ATOM 440 CG GLN A 26 -14.584 7.376 1.111 1.00 3.32 C ATOM 441 CD GLN A 26 -15.177 5.990 1.361 1.00 21.13 C ATOM 442 OE1 GLN A 26 -14.669 5.193 2.145 1.00 25.42 O ATOM 443 NE2 GLN A 26 -16.239 5.622 0.670 1.00 30.33 N ATOM 0 H GLN A 26 -14.676 9.074 -0.862 1.00 42.34 H new ATOM 0 HA GLN A 26 -15.848 10.626 1.232 1.00 33.54 H new ATOM 0 HB2 GLN A 26 -15.633 8.545 2.571 1.00 71.33 H new ATOM 0 HB3 GLN A 26 -16.495 8.348 1.058 1.00 71.33 H new ATOM 0 HG2 GLN A 26 -14.324 7.462 0.056 1.00 3.32 H new ATOM 0 HG3 GLN A 26 -13.657 7.469 1.676 1.00 3.32 H new ATOM 0 HE21 GLN A 26 -16.672 6.273 0.015 1.00 30.33 H new ATOM 0 HE22 GLN A 26 -16.627 4.686 0.791 1.00 30.33 H new ATOM 452 N HIS A 27 -12.604 10.021 1.381 1.00 74.14 N ATOM 453 CA HIS A 27 -11.319 10.314 2.001 1.00 74.33 C ATOM 454 C HIS A 27 -10.421 11.094 1.022 1.00 21.11 C ATOM 455 O HIS A 27 -9.479 10.536 0.453 1.00 4.42 O ATOM 456 CB HIS A 27 -10.701 8.984 2.463 1.00 61.10 C ATOM 457 CG HIS A 27 -11.567 8.197 3.422 1.00 5.31 C ATOM 458 ND1 HIS A 27 -11.887 6.871 3.307 1.00 24.15 N flip ATOM 459 CD2 HIS A 27 -12.225 8.683 4.533 1.00 54.30 C flip ATOM 460 CE1 HIS A 27 -12.730 6.544 4.373 1.00 43.00 C flip ATOM 461 NE2 HIS A 27 -12.909 7.667 5.083 1.00 74.30 N flip ATOM 0 H HIS A 27 -12.502 9.484 0.520 1.00 74.14 H new ATOM 0 HA HIS A 27 -11.437 10.956 2.874 1.00 74.33 H new ATOM 0 HB2 HIS A 27 -10.496 8.368 1.587 1.00 61.10 H new ATOM 0 HB3 HIS A 27 -9.743 9.188 2.941 1.00 61.10 H new ATOM 0 HD2 HIS A 27 -12.195 9.700 4.896 1.00 54.30 H new ATOM 0 HE1 HIS A 27 -13.155 5.574 4.584 1.00 43.00 H new ATOM 0 HE2 HIS A 27 -13.484 7.739 5.923 1.00 74.30 H new ATOM 469 N PRO A 28 -10.657 12.405 0.836 1.00 72.30 N ATOM 470 CA PRO A 28 -9.889 13.242 -0.080 1.00 43.02 C ATOM 471 C PRO A 28 -8.453 13.481 0.362 1.00 4.11 C ATOM 472 O PRO A 28 -7.602 13.774 -0.484 1.00 33.52 O ATOM 473 CB PRO A 28 -10.663 14.559 -0.167 1.00 30.52 C ATOM 474 CG PRO A 28 -11.374 14.638 1.179 1.00 14.05 C ATOM 475 CD PRO A 28 -11.720 13.178 1.450 1.00 14.11 C ATOM 0 HA PRO A 28 -9.790 12.744 -1.045 1.00 43.02 H new ATOM 0 HB2 PRO A 28 -9.997 15.408 -0.320 1.00 30.52 H new ATOM 0 HB3 PRO A 28 -11.371 14.556 -0.996 1.00 30.52 H new ATOM 0 HG2 PRO A 28 -10.731 15.054 1.955 1.00 14.05 H new ATOM 0 HG3 PRO A 28 -12.264 15.265 1.132 1.00 14.05 H new ATOM 0 HD2 PRO A 28 -11.780 12.981 2.520 1.00 14.11 H new ATOM 0 HD3 PRO A 28 -12.689 12.919 1.024 1.00 14.11 H new ATOM 483 N THR A 29 -8.166 13.361 1.655 1.00 74.21 N ATOM 484 CA THR A 29 -6.847 13.556 2.235 1.00 44.01 C ATOM 485 C THR A 29 -6.060 12.240 2.283 1.00 44.30 C ATOM 486 O THR A 29 -5.047 12.168 2.983 1.00 33.44 O ATOM 487 CB THR A 29 -7.019 14.236 3.604 1.00 45.42 C ATOM 488 OG1 THR A 29 -8.027 13.590 4.363 1.00 30.31 O ATOM 489 CG2 THR A 29 -7.445 15.698 3.415 1.00 61.30 C ATOM 0 H THR A 29 -8.872 13.117 2.349 1.00 74.21 H new ATOM 0 HA THR A 29 -6.242 14.213 1.610 1.00 44.01 H new ATOM 0 HB THR A 29 -6.063 14.176 4.125 1.00 45.42 H new ATOM 0 HG1 THR A 29 -8.120 14.036 5.231 1.00 30.31 H new ATOM 0 HG21 THR A 29 -7.564 16.171 4.390 1.00 61.30 H new ATOM 0 HG22 THR A 29 -6.682 16.228 2.845 1.00 61.30 H new ATOM 0 HG23 THR A 29 -8.392 15.734 2.876 1.00 61.30 H new ATOM 497 N LYS A 30 -6.536 11.177 1.615 1.00 24.25 N ATOM 498 CA LYS A 30 -5.858 9.889 1.567 1.00 4.05 C ATOM 499 C LYS A 30 -5.482 9.578 0.133 1.00 44.41 C ATOM 500 O LYS A 30 -6.207 9.859 -0.829 1.00 13.11 O ATOM 501 CB LYS A 30 -6.700 8.752 2.179 1.00 44.13 C ATOM 502 CG LYS A 30 -6.774 8.803 3.712 1.00 14.42 C ATOM 503 CD LYS A 30 -5.380 8.804 4.380 1.00 64.50 C ATOM 504 CE LYS A 30 -5.275 8.348 5.842 1.00 52.33 C ATOM 505 NZ LYS A 30 -6.550 8.473 6.572 1.00 61.40 N ATOM 0 H LYS A 30 -7.411 11.196 1.091 1.00 24.25 H new ATOM 0 HA LYS A 30 -4.957 9.958 2.177 1.00 4.05 H new ATOM 0 HB2 LYS A 30 -7.710 8.799 1.772 1.00 44.13 H new ATOM 0 HB3 LYS A 30 -6.278 7.794 1.875 1.00 44.13 H new ATOM 0 HG2 LYS A 30 -7.318 9.698 4.015 1.00 14.42 H new ATOM 0 HG3 LYS A 30 -7.344 7.946 4.072 1.00 14.42 H new ATOM 0 HD2 LYS A 30 -4.725 8.167 3.785 1.00 64.50 H new ATOM 0 HD3 LYS A 30 -4.982 9.817 4.318 1.00 64.50 H new ATOM 0 HE2 LYS A 30 -4.945 7.310 5.871 1.00 52.33 H new ATOM 0 HE3 LYS A 30 -4.512 8.939 6.348 1.00 52.33 H new ATOM 0 HZ1 LYS A 30 -6.366 8.468 7.596 1.00 61.40 H new ATOM 0 HZ2 LYS A 30 -7.015 9.365 6.308 1.00 61.40 H new ATOM 0 HZ3 LYS A 30 -7.170 7.674 6.328 1.00 61.40 H new ATOM 519 N ILE A 31 -4.341 8.915 0.023 1.00 74.54 N ATOM 520 CA ILE A 31 -3.738 8.480 -1.206 1.00 10.12 C ATOM 521 C ILE A 31 -3.840 6.954 -1.200 1.00 13.20 C ATOM 522 O ILE A 31 -3.155 6.300 -0.403 1.00 2.41 O ATOM 523 CB ILE A 31 -2.304 9.026 -1.333 1.00 43.34 C ATOM 524 CG1 ILE A 31 -2.379 10.569 -1.411 1.00 71.23 C ATOM 525 CG2 ILE A 31 -1.608 8.400 -2.552 1.00 63.15 C ATOM 526 CD1 ILE A 31 -1.107 11.260 -1.885 1.00 2.41 C ATOM 0 H ILE A 31 -3.788 8.657 0.840 1.00 74.54 H new ATOM 0 HA ILE A 31 -4.244 8.867 -2.090 1.00 10.12 H new ATOM 0 HB ILE A 31 -1.703 8.757 -0.465 1.00 43.34 H new ATOM 0 HG12 ILE A 31 -3.193 10.843 -2.082 1.00 71.23 H new ATOM 0 HG13 ILE A 31 -2.636 10.954 -0.424 1.00 71.23 H new ATOM 0 HG21 ILE A 31 -0.594 8.792 -2.633 1.00 63.15 H new ATOM 0 HG22 ILE A 31 -1.570 7.317 -2.433 1.00 63.15 H new ATOM 0 HG23 ILE A 31 -2.166 8.646 -3.456 1.00 63.15 H new ATOM 0 HD11 ILE A 31 -1.264 12.338 -1.904 1.00 2.41 H new ATOM 0 HD12 ILE A 31 -0.290 11.025 -1.204 1.00 2.41 H new ATOM 0 HD13 ILE A 31 -0.856 10.912 -2.887 1.00 2.41 H new ATOM 538 N PRO A 32 -4.727 6.385 -2.030 1.00 10.32 N ATOM 539 CA PRO A 32 -4.890 4.948 -2.156 1.00 45.22 C ATOM 540 C PRO A 32 -3.610 4.360 -2.796 1.00 30.30 C ATOM 541 O PRO A 32 -3.233 4.708 -3.926 1.00 70.12 O ATOM 542 CB PRO A 32 -6.140 4.736 -3.026 1.00 31.12 C ATOM 543 CG PRO A 32 -6.691 6.125 -3.350 1.00 2.51 C ATOM 544 CD PRO A 32 -5.589 7.095 -2.962 1.00 23.45 C ATOM 0 HA PRO A 32 -5.026 4.442 -1.200 1.00 45.22 H new ATOM 0 HB2 PRO A 32 -5.889 4.197 -3.939 1.00 31.12 H new ATOM 0 HB3 PRO A 32 -6.883 4.139 -2.497 1.00 31.12 H new ATOM 0 HG2 PRO A 32 -6.938 6.213 -4.408 1.00 2.51 H new ATOM 0 HG3 PRO A 32 -7.606 6.325 -2.792 1.00 2.51 H new ATOM 0 HD2 PRO A 32 -5.029 7.418 -3.840 1.00 23.45 H new ATOM 0 HD3 PRO A 32 -6.005 7.991 -2.501 1.00 23.45 H new ATOM 552 N VAL A 33 -2.929 3.463 -2.078 1.00 52.45 N ATOM 553 CA VAL A 33 -1.704 2.799 -2.527 1.00 30.14 C ATOM 554 C VAL A 33 -1.843 1.284 -2.294 1.00 54.15 C ATOM 555 O VAL A 33 -2.537 0.848 -1.367 1.00 43.33 O ATOM 556 CB VAL A 33 -0.469 3.381 -1.800 1.00 71.32 C ATOM 557 CG1 VAL A 33 -0.467 3.114 -0.292 1.00 10.21 C ATOM 558 CG2 VAL A 33 0.844 2.835 -2.391 1.00 2.33 C ATOM 0 H VAL A 33 -3.222 3.172 -1.145 1.00 52.45 H new ATOM 0 HA VAL A 33 -1.556 2.976 -3.592 1.00 30.14 H new ATOM 0 HB VAL A 33 -0.535 4.458 -1.956 1.00 71.32 H new ATOM 0 HG11 VAL A 33 0.427 3.550 0.153 1.00 10.21 H new ATOM 0 HG12 VAL A 33 -1.352 3.563 0.158 1.00 10.21 H new ATOM 0 HG13 VAL A 33 -0.474 2.039 -0.113 1.00 10.21 H new ATOM 0 HG21 VAL A 33 1.691 3.265 -1.856 1.00 2.33 H new ATOM 0 HG22 VAL A 33 0.865 1.750 -2.290 1.00 2.33 H new ATOM 0 HG23 VAL A 33 0.907 3.103 -3.446 1.00 2.33 H new ATOM 568 N ILE A 34 -1.178 0.493 -3.129 1.00 33.23 N ATOM 569 CA ILE A 34 -1.114 -0.955 -3.111 1.00 10.52 C ATOM 570 C ILE A 34 0.288 -1.301 -2.637 1.00 5.23 C ATOM 571 O ILE A 34 1.266 -0.797 -3.195 1.00 33.24 O ATOM 572 CB ILE A 34 -1.392 -1.516 -4.529 1.00 30.24 C ATOM 573 CG1 ILE A 34 -2.882 -1.397 -4.894 1.00 5.51 C ATOM 574 CG2 ILE A 34 -0.912 -2.968 -4.740 1.00 53.54 C ATOM 575 CD1 ILE A 34 -3.821 -2.177 -3.964 1.00 14.51 C ATOM 0 H ILE A 34 -0.628 0.883 -3.894 1.00 33.23 H new ATOM 0 HA ILE A 34 -1.863 -1.394 -2.452 1.00 10.52 H new ATOM 0 HB ILE A 34 -0.799 -0.894 -5.200 1.00 30.24 H new ATOM 0 HG12 ILE A 34 -3.165 -0.345 -4.879 1.00 5.51 H new ATOM 0 HG13 ILE A 34 -3.024 -1.751 -5.915 1.00 5.51 H new ATOM 0 HG21 ILE A 34 -1.144 -3.284 -5.757 1.00 53.54 H new ATOM 0 HG22 ILE A 34 0.165 -3.022 -4.580 1.00 53.54 H new ATOM 0 HG23 ILE A 34 -1.417 -3.625 -4.032 1.00 53.54 H new ATOM 0 HD11 ILE A 34 -4.852 -2.040 -4.290 1.00 14.51 H new ATOM 0 HD12 ILE A 34 -3.567 -3.237 -3.996 1.00 14.51 H new ATOM 0 HD13 ILE A 34 -3.711 -1.809 -2.944 1.00 14.51 H new ATOM 587 N ILE A 35 0.382 -2.122 -1.591 1.00 10.10 N ATOM 588 CA ILE A 35 1.645 -2.584 -1.041 1.00 23.02 C ATOM 589 C ILE A 35 1.607 -4.072 -1.342 1.00 13.50 C ATOM 590 O ILE A 35 0.830 -4.806 -0.727 1.00 64.42 O ATOM 591 CB ILE A 35 1.780 -2.309 0.474 1.00 63.13 C ATOM 592 CG1 ILE A 35 1.462 -0.845 0.826 1.00 10.42 C ATOM 593 CG2 ILE A 35 3.204 -2.702 0.918 1.00 73.14 C ATOM 594 CD1 ILE A 35 1.674 -0.556 2.313 1.00 70.14 C ATOM 0 H ILE A 35 -0.433 -2.487 -1.098 1.00 10.10 H new ATOM 0 HA ILE A 35 2.504 -2.069 -1.471 1.00 23.02 H new ATOM 0 HB ILE A 35 1.049 -2.912 1.013 1.00 63.13 H new ATOM 0 HG12 ILE A 35 2.095 -0.184 0.234 1.00 10.42 H new ATOM 0 HG13 ILE A 35 0.429 -0.623 0.557 1.00 10.42 H new ATOM 0 HG21 ILE A 35 3.317 -2.514 1.986 1.00 73.14 H new ATOM 0 HG22 ILE A 35 3.369 -3.760 0.716 1.00 73.14 H new ATOM 0 HG23 ILE A 35 3.934 -2.109 0.366 1.00 73.14 H new ATOM 0 HD11 ILE A 35 1.438 0.488 2.518 1.00 70.14 H new ATOM 0 HD12 ILE A 35 1.022 -1.198 2.905 1.00 70.14 H new ATOM 0 HD13 ILE A 35 2.713 -0.752 2.577 1.00 70.14 H new ATOM 606 N GLU A 36 2.450 -4.514 -2.267 1.00 11.51 N ATOM 607 CA GLU A 36 2.510 -5.904 -2.662 1.00 24.14 C ATOM 608 C GLU A 36 3.903 -6.451 -2.365 1.00 2.33 C ATOM 609 O GLU A 36 4.942 -5.788 -2.495 1.00 61.45 O ATOM 610 CB GLU A 36 2.120 -5.994 -4.146 1.00 71.34 C ATOM 611 CG GLU A 36 1.809 -7.396 -4.689 1.00 23.14 C ATOM 612 CD GLU A 36 0.355 -7.836 -4.488 1.00 10.50 C ATOM 613 OE1 GLU A 36 -0.560 -7.276 -5.143 1.00 73.04 O ATOM 614 OE2 GLU A 36 0.129 -8.846 -3.789 1.00 32.10 O ATOM 0 H GLU A 36 3.110 -3.913 -2.761 1.00 11.51 H new ATOM 0 HA GLU A 36 1.810 -6.520 -2.098 1.00 24.14 H new ATOM 0 HB2 GLU A 36 1.245 -5.364 -4.308 1.00 71.34 H new ATOM 0 HB3 GLU A 36 2.931 -5.571 -4.738 1.00 71.34 H new ATOM 0 HG2 GLU A 36 2.041 -7.421 -5.754 1.00 23.14 H new ATOM 0 HG3 GLU A 36 2.466 -8.117 -4.202 1.00 23.14 H new ATOM 621 N ARG A 37 3.904 -7.690 -1.899 1.00 43.25 N ATOM 622 CA ARG A 37 5.132 -8.380 -1.580 1.00 62.32 C ATOM 623 C ARG A 37 5.850 -8.609 -2.902 1.00 31.43 C ATOM 624 O ARG A 37 5.225 -9.116 -3.847 1.00 73.41 O ATOM 625 CB ARG A 37 4.778 -9.667 -0.833 1.00 62.31 C ATOM 626 CG ARG A 37 6.043 -10.409 -0.405 1.00 74.05 C ATOM 627 CD ARG A 37 5.982 -11.917 -0.643 1.00 42.23 C ATOM 628 NE ARG A 37 5.765 -12.221 -2.065 1.00 13.53 N ATOM 629 CZ ARG A 37 6.350 -13.187 -2.777 1.00 3.52 C ATOM 630 NH1 ARG A 37 7.484 -13.759 -2.391 1.00 12.44 N ATOM 631 NH2 ARG A 37 5.777 -13.592 -3.902 1.00 51.24 N ATOM 0 H ARG A 37 3.059 -8.237 -1.734 1.00 43.25 H new ATOM 0 HA ARG A 37 5.797 -7.819 -0.924 1.00 62.32 H new ATOM 0 HB2 ARG A 37 4.175 -9.430 0.044 1.00 62.31 H new ATOM 0 HB3 ARG A 37 4.172 -10.309 -1.472 1.00 62.31 H new ATOM 0 HG2 ARG A 37 6.895 -9.999 -0.947 1.00 74.05 H new ATOM 0 HG3 ARG A 37 6.221 -10.224 0.654 1.00 74.05 H new ATOM 0 HD2 ARG A 37 6.910 -12.379 -0.307 1.00 42.23 H new ATOM 0 HD3 ARG A 37 5.177 -12.350 -0.049 1.00 42.23 H new ATOM 0 HE ARG A 37 5.096 -11.631 -2.560 1.00 13.53 H new ATOM 0 HH11 ARG A 37 7.936 -13.463 -1.526 1.00 12.44 H new ATOM 0 HH12 ARG A 37 7.904 -14.495 -2.960 1.00 12.44 H new ATOM 0 HH21 ARG A 37 4.903 -13.167 -4.211 1.00 51.24 H new ATOM 0 HH22 ARG A 37 6.210 -14.329 -4.458 1.00 51.24 H new ATOM 645 N TYR A 38 7.117 -8.200 -3.011 1.00 11.21 N ATOM 646 CA TYR A 38 7.833 -8.420 -4.257 1.00 12.23 C ATOM 647 C TYR A 38 7.922 -9.923 -4.507 1.00 65.12 C ATOM 648 O TYR A 38 8.103 -10.701 -3.568 1.00 64.01 O ATOM 649 CB TYR A 38 9.240 -7.836 -4.198 1.00 41.41 C ATOM 650 CG TYR A 38 10.066 -8.078 -5.455 1.00 53.31 C ATOM 651 CD1 TYR A 38 9.551 -7.750 -6.728 1.00 10.34 C ATOM 652 CD2 TYR A 38 11.338 -8.675 -5.356 1.00 24.13 C ATOM 653 CE1 TYR A 38 10.300 -8.019 -7.887 1.00 23.22 C ATOM 654 CE2 TYR A 38 12.085 -8.955 -6.514 1.00 41.45 C ATOM 655 CZ TYR A 38 11.577 -8.615 -7.787 1.00 54.34 C ATOM 656 OH TYR A 38 12.297 -8.903 -8.908 1.00 13.21 O ATOM 0 H TYR A 38 7.648 -7.732 -2.277 1.00 11.21 H new ATOM 0 HA TYR A 38 7.294 -7.923 -5.064 1.00 12.23 H new ATOM 0 HB2 TYR A 38 9.169 -6.762 -4.023 1.00 41.41 H new ATOM 0 HB3 TYR A 38 9.764 -8.264 -3.344 1.00 41.41 H new ATOM 0 HD1 TYR A 38 8.577 -7.290 -6.812 1.00 10.34 H new ATOM 0 HD2 TYR A 38 11.742 -8.919 -4.385 1.00 24.13 H new ATOM 0 HE1 TYR A 38 9.898 -7.769 -8.858 1.00 23.22 H new ATOM 0 HE2 TYR A 38 13.050 -9.432 -6.430 1.00 41.45 H new ATOM 0 HH TYR A 38 13.152 -9.308 -8.653 1.00 13.21 H new ATOM 666 N LYS A 39 7.876 -10.342 -5.772 1.00 61.03 N ATOM 667 CA LYS A 39 7.965 -11.754 -6.132 1.00 61.43 C ATOM 668 C LYS A 39 9.236 -12.425 -5.601 1.00 24.41 C ATOM 669 O LYS A 39 9.213 -13.633 -5.371 1.00 34.31 O ATOM 670 CB LYS A 39 7.792 -11.949 -7.644 1.00 43.14 C ATOM 671 CG LYS A 39 8.753 -11.133 -8.528 1.00 10.23 C ATOM 672 CD LYS A 39 8.538 -11.403 -10.026 1.00 24.30 C ATOM 673 CE LYS A 39 8.768 -12.868 -10.420 1.00 65.42 C ATOM 674 NZ LYS A 39 10.153 -13.329 -10.183 1.00 11.33 N ATOM 0 H LYS A 39 7.777 -9.715 -6.570 1.00 61.03 H new ATOM 0 HA LYS A 39 7.137 -12.262 -5.637 1.00 61.43 H new ATOM 0 HB2 LYS A 39 7.922 -13.006 -7.874 1.00 43.14 H new ATOM 0 HB3 LYS A 39 6.768 -11.688 -7.912 1.00 43.14 H new ATOM 0 HG2 LYS A 39 8.613 -10.071 -8.329 1.00 10.23 H new ATOM 0 HG3 LYS A 39 9.782 -11.374 -8.261 1.00 10.23 H new ATOM 0 HD2 LYS A 39 7.522 -11.117 -10.297 1.00 24.30 H new ATOM 0 HD3 LYS A 39 9.212 -10.769 -10.602 1.00 24.30 H new ATOM 0 HE2 LYS A 39 8.081 -13.500 -9.857 1.00 65.42 H new ATOM 0 HE3 LYS A 39 8.526 -12.995 -11.475 1.00 65.42 H new ATOM 0 HZ1 LYS A 39 10.241 -14.325 -10.470 1.00 11.33 H new ATOM 0 HZ2 LYS A 39 10.812 -12.749 -10.740 1.00 11.33 H new ATOM 0 HZ3 LYS A 39 10.381 -13.238 -9.172 1.00 11.33 H new ATOM 688 N GLY A 40 10.305 -11.666 -5.357 1.00 31.42 N ATOM 689 CA GLY A 40 11.579 -12.157 -4.842 1.00 41.23 C ATOM 690 C GLY A 40 11.746 -11.996 -3.331 1.00 42.54 C ATOM 691 O GLY A 40 12.844 -12.218 -2.815 1.00 11.21 O ATOM 0 H GLY A 40 10.305 -10.659 -5.519 1.00 31.42 H new ATOM 0 HA2 GLY A 40 11.679 -13.212 -5.097 1.00 41.23 H new ATOM 0 HA3 GLY A 40 12.389 -11.629 -5.344 1.00 41.23 H new ATOM 695 N GLU A 41 10.723 -11.529 -2.615 1.00 31.02 N ATOM 696 CA GLU A 41 10.784 -11.358 -1.171 1.00 3.12 C ATOM 697 C GLU A 41 10.667 -12.737 -0.514 1.00 34.01 C ATOM 698 O GLU A 41 9.713 -13.466 -0.795 1.00 5.42 O ATOM 699 CB GLU A 41 9.624 -10.476 -0.710 1.00 61.15 C ATOM 700 CG GLU A 41 9.872 -10.035 0.736 1.00 41.21 C ATOM 701 CD GLU A 41 8.625 -9.981 1.599 1.00 70.12 C ATOM 702 OE1 GLU A 41 8.059 -11.071 1.825 1.00 14.51 O ATOM 703 OE2 GLU A 41 8.322 -8.879 2.100 1.00 1.33 O ATOM 0 H GLU A 41 9.829 -11.259 -3.025 1.00 31.02 H new ATOM 0 HA GLU A 41 11.725 -10.885 -0.890 1.00 3.12 H new ATOM 0 HB2 GLU A 41 9.534 -9.605 -1.358 1.00 61.15 H new ATOM 0 HB3 GLU A 41 8.684 -11.024 -0.780 1.00 61.15 H new ATOM 0 HG2 GLU A 41 10.586 -10.719 1.194 1.00 41.21 H new ATOM 0 HG3 GLU A 41 10.336 -9.049 0.727 1.00 41.21 H new ATOM 710 N LYS A 42 11.607 -13.097 0.363 1.00 50.35 N ATOM 711 CA LYS A 42 11.610 -14.377 1.066 1.00 45.55 C ATOM 712 C LYS A 42 12.047 -14.243 2.520 1.00 24.41 C ATOM 713 O LYS A 42 11.414 -14.866 3.373 1.00 24.22 O ATOM 714 CB LYS A 42 12.556 -15.362 0.363 1.00 23.12 C ATOM 715 CG LYS A 42 12.124 -15.862 -1.022 1.00 11.30 C ATOM 716 CD LYS A 42 10.785 -16.622 -1.071 1.00 24.20 C ATOM 717 CE LYS A 42 10.646 -17.631 0.075 1.00 44.13 C ATOM 718 NZ LYS A 42 9.528 -18.571 -0.125 1.00 10.20 N ATOM 0 H LYS A 42 12.396 -12.498 0.606 1.00 50.35 H new ATOM 0 HA LYS A 42 10.584 -14.745 1.049 1.00 45.55 H new ATOM 0 HB2 LYS A 42 13.531 -14.885 0.264 1.00 23.12 H new ATOM 0 HB3 LYS A 42 12.689 -16.228 1.011 1.00 23.12 H new ATOM 0 HG2 LYS A 42 12.059 -15.005 -1.693 1.00 11.30 H new ATOM 0 HG3 LYS A 42 12.905 -16.514 -1.412 1.00 11.30 H new ATOM 0 HD2 LYS A 42 9.963 -15.908 -1.025 1.00 24.20 H new ATOM 0 HD3 LYS A 42 10.701 -17.144 -2.024 1.00 24.20 H new ATOM 0 HE2 LYS A 42 11.575 -18.193 0.173 1.00 44.13 H new ATOM 0 HE3 LYS A 42 10.499 -17.093 1.011 1.00 44.13 H new ATOM 0 HZ1 LYS A 42 9.480 -19.230 0.678 1.00 10.20 H new ATOM 0 HZ2 LYS A 42 8.636 -18.040 -0.191 1.00 10.20 H new ATOM 0 HZ3 LYS A 42 9.678 -19.107 -1.004 1.00 10.20 H new ATOM 732 N GLN A 43 13.092 -13.461 2.833 1.00 43.12 N ATOM 733 CA GLN A 43 13.529 -13.351 4.226 1.00 45.01 C ATOM 734 C GLN A 43 12.573 -12.491 5.048 1.00 50.35 C ATOM 735 O GLN A 43 12.442 -12.700 6.251 1.00 13.14 O ATOM 736 CB GLN A 43 14.970 -12.832 4.363 1.00 5.53 C ATOM 737 CG GLN A 43 15.236 -11.480 3.680 1.00 63.31 C ATOM 738 CD GLN A 43 16.275 -11.534 2.564 1.00 74.32 C ATOM 739 OE1 GLN A 43 17.078 -10.621 2.417 1.00 30.30 O ATOM 740 NE2 GLN A 43 16.238 -12.538 1.699 1.00 32.11 N ATOM 0 H GLN A 43 13.632 -12.914 2.163 1.00 43.12 H new ATOM 0 HA GLN A 43 13.514 -14.366 4.624 1.00 45.01 H new ATOM 0 HB2 GLN A 43 15.209 -12.741 5.423 1.00 5.53 H new ATOM 0 HB3 GLN A 43 15.650 -13.574 3.945 1.00 5.53 H new ATOM 0 HG2 GLN A 43 14.299 -11.103 3.270 1.00 63.31 H new ATOM 0 HG3 GLN A 43 15.566 -10.764 4.433 1.00 63.31 H new ATOM 0 HE21 GLN A 43 15.567 -13.296 1.826 1.00 32.11 H new ATOM 0 HE22 GLN A 43 16.880 -12.552 0.907 1.00 32.11 H new ATOM 749 N LEU A 44 11.921 -11.520 4.406 1.00 62.51 N ATOM 750 CA LEU A 44 10.994 -10.590 5.044 1.00 63.11 C ATOM 751 C LEU A 44 9.584 -11.200 5.096 1.00 21.23 C ATOM 752 O LEU A 44 9.348 -12.201 4.409 1.00 25.20 O ATOM 753 CB LEU A 44 11.038 -9.252 4.277 1.00 21.24 C ATOM 754 CG LEU A 44 12.462 -8.740 3.976 1.00 70.12 C ATOM 755 CD1 LEU A 44 12.768 -9.033 2.499 1.00 4.50 C ATOM 756 CD2 LEU A 44 12.625 -7.257 4.306 1.00 14.11 C ATOM 0 H LEU A 44 12.027 -11.357 3.405 1.00 62.51 H new ATOM 0 HA LEU A 44 11.285 -10.399 6.077 1.00 63.11 H new ATOM 0 HB2 LEU A 44 10.500 -9.368 3.336 1.00 21.24 H new ATOM 0 HB3 LEU A 44 10.508 -8.497 4.857 1.00 21.24 H new ATOM 0 HG LEU A 44 13.177 -9.259 4.614 1.00 70.12 H new ATOM 0 HD11 LEU A 44 13.771 -8.681 2.258 1.00 4.50 H new ATOM 0 HD12 LEU A 44 12.708 -10.107 2.321 1.00 4.50 H new ATOM 0 HD13 LEU A 44 12.042 -8.520 1.868 1.00 4.50 H new ATOM 0 HD21 LEU A 44 13.643 -6.943 4.077 1.00 14.11 H new ATOM 0 HD22 LEU A 44 11.923 -6.673 3.711 1.00 14.11 H new ATOM 0 HD23 LEU A 44 12.425 -7.096 5.365 1.00 14.11 H new ATOM 768 N PRO A 45 8.645 -10.665 5.896 1.00 21.30 N ATOM 769 CA PRO A 45 7.288 -11.188 5.992 1.00 50.25 C ATOM 770 C PRO A 45 6.322 -10.489 5.015 1.00 45.15 C ATOM 771 O PRO A 45 6.468 -9.302 4.688 1.00 63.11 O ATOM 772 CB PRO A 45 6.896 -10.878 7.436 1.00 51.02 C ATOM 773 CG PRO A 45 7.538 -9.510 7.669 1.00 64.55 C ATOM 774 CD PRO A 45 8.785 -9.515 6.779 1.00 73.22 C ATOM 0 HA PRO A 45 7.238 -12.246 5.736 1.00 50.25 H new ATOM 0 HB2 PRO A 45 5.814 -10.845 7.564 1.00 51.02 H new ATOM 0 HB3 PRO A 45 7.277 -11.628 8.129 1.00 51.02 H new ATOM 0 HG2 PRO A 45 6.859 -8.702 7.397 1.00 64.55 H new ATOM 0 HG3 PRO A 45 7.799 -9.368 8.718 1.00 64.55 H new ATOM 0 HD2 PRO A 45 8.859 -8.590 6.206 1.00 73.22 H new ATOM 0 HD3 PRO A 45 9.692 -9.592 7.379 1.00 73.22 H new ATOM 782 N VAL A 46 5.290 -11.223 4.598 1.00 21.23 N ATOM 783 CA VAL A 46 4.262 -10.733 3.693 1.00 1.41 C ATOM 784 C VAL A 46 3.376 -9.753 4.483 1.00 73.54 C ATOM 785 O VAL A 46 3.209 -9.905 5.701 1.00 71.54 O ATOM 786 CB VAL A 46 3.486 -11.934 3.112 1.00 5.43 C ATOM 787 CG1 VAL A 46 2.617 -11.512 1.927 1.00 53.32 C ATOM 788 CG2 VAL A 46 4.448 -13.031 2.611 1.00 54.03 C ATOM 0 H VAL A 46 5.147 -12.191 4.887 1.00 21.23 H new ATOM 0 HA VAL A 46 4.679 -10.196 2.841 1.00 1.41 H new ATOM 0 HB VAL A 46 2.863 -12.317 3.920 1.00 5.43 H new ATOM 0 HG11 VAL A 46 2.083 -12.380 1.540 1.00 53.32 H new ATOM 0 HG12 VAL A 46 1.899 -10.760 2.252 1.00 53.32 H new ATOM 0 HG13 VAL A 46 3.249 -11.095 1.143 1.00 53.32 H new ATOM 0 HG21 VAL A 46 3.872 -13.864 2.208 1.00 54.03 H new ATOM 0 HG22 VAL A 46 5.091 -12.623 1.831 1.00 54.03 H new ATOM 0 HG23 VAL A 46 5.062 -13.383 3.440 1.00 54.03 H new ATOM 798 N LEU A 47 2.805 -8.738 3.821 1.00 30.53 N ATOM 799 CA LEU A 47 1.961 -7.769 4.508 1.00 33.50 C ATOM 800 C LEU A 47 0.641 -8.440 4.918 1.00 12.43 C ATOM 801 O LEU A 47 0.158 -9.348 4.241 1.00 34.54 O ATOM 802 CB LEU A 47 1.727 -6.527 3.618 1.00 4.03 C ATOM 803 CG LEU A 47 2.011 -5.160 4.278 1.00 51.45 C ATOM 804 CD1 LEU A 47 1.366 -4.981 5.660 1.00 51.35 C ATOM 805 CD2 LEU A 47 3.519 -4.927 4.370 1.00 74.15 C ATOM 0 H LEU A 47 2.914 -8.573 2.820 1.00 30.53 H new ATOM 0 HA LEU A 47 2.461 -7.423 5.413 1.00 33.50 H new ATOM 0 HB2 LEU A 47 2.353 -6.617 2.730 1.00 4.03 H new ATOM 0 HB3 LEU A 47 0.691 -6.537 3.279 1.00 4.03 H new ATOM 0 HG LEU A 47 1.548 -4.414 3.633 1.00 51.45 H new ATOM 0 HD11 LEU A 47 1.615 -3.995 6.053 1.00 51.35 H new ATOM 0 HD12 LEU A 47 0.284 -5.074 5.571 1.00 51.35 H new ATOM 0 HD13 LEU A 47 1.741 -5.747 6.339 1.00 51.35 H new ATOM 0 HD21 LEU A 47 3.710 -3.961 4.837 1.00 74.15 H new ATOM 0 HD22 LEU A 47 3.973 -5.716 4.970 1.00 74.15 H new ATOM 0 HD23 LEU A 47 3.951 -4.938 3.369 1.00 74.15 H new ATOM 817 N ASP A 48 0.029 -7.948 6.001 1.00 65.44 N ATOM 818 CA ASP A 48 -1.236 -8.460 6.547 1.00 23.22 C ATOM 819 C ASP A 48 -2.427 -8.240 5.612 1.00 22.43 C ATOM 820 O ASP A 48 -3.439 -8.933 5.746 1.00 5.00 O ATOM 821 CB ASP A 48 -1.597 -7.707 7.846 1.00 11.33 C ATOM 822 CG ASP A 48 -1.152 -8.359 9.146 1.00 23.10 C ATOM 823 OD1 ASP A 48 -1.260 -9.594 9.289 1.00 65.24 O ATOM 824 OD2 ASP A 48 -0.789 -7.592 10.071 1.00 21.22 O ATOM 0 H ASP A 48 0.407 -7.165 6.535 1.00 65.44 H new ATOM 0 HA ASP A 48 -1.071 -9.526 6.701 1.00 23.22 H new ATOM 0 HB2 ASP A 48 -1.161 -6.709 7.796 1.00 11.33 H new ATOM 0 HB3 ASP A 48 -2.679 -7.580 7.879 1.00 11.33 H new ATOM 829 N LYS A 49 -2.359 -7.213 4.761 1.00 25.43 N ATOM 830 CA LYS A 49 -3.379 -6.798 3.801 1.00 51.32 C ATOM 831 C LYS A 49 -2.702 -6.082 2.623 1.00 23.10 C ATOM 832 O LYS A 49 -1.487 -5.897 2.683 1.00 64.42 O ATOM 833 CB LYS A 49 -4.447 -5.963 4.518 1.00 4.03 C ATOM 834 CG LYS A 49 -3.905 -4.738 5.287 1.00 33.23 C ATOM 835 CD LYS A 49 -4.112 -4.881 6.803 1.00 4.12 C ATOM 836 CE LYS A 49 -5.596 -4.692 7.131 1.00 4.10 C ATOM 837 NZ LYS A 49 -6.047 -5.419 8.329 1.00 42.04 N ATOM 0 H LYS A 49 -1.536 -6.612 4.724 1.00 25.43 H new ATOM 0 HA LYS A 49 -3.902 -7.656 3.379 1.00 51.32 H new ATOM 0 HB2 LYS A 49 -5.174 -5.619 3.782 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -4.981 -6.606 5.218 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -2.843 -4.616 5.075 1.00 33.23 H new ATOM 0 HG3 LYS A 49 -4.406 -3.836 4.935 1.00 33.23 H new ATOM 0 HD2 LYS A 49 -3.776 -5.863 7.137 1.00 4.12 H new ATOM 0 HD3 LYS A 49 -3.513 -4.142 7.335 1.00 4.12 H new ATOM 0 HE2 LYS A 49 -5.793 -3.629 7.269 1.00 4.10 H new ATOM 0 HE3 LYS A 49 -6.190 -5.018 6.277 1.00 4.10 H new ATOM 0 HZ1 LYS A 49 -6.975 -5.850 8.145 1.00 42.04 H new ATOM 0 HZ2 LYS A 49 -5.360 -6.164 8.562 1.00 42.04 H new ATOM 0 HZ3 LYS A 49 -6.125 -4.757 9.128 1.00 42.04 H new ATOM 851 N THR A 50 -3.432 -5.602 1.610 1.00 61.22 N ATOM 852 CA THR A 50 -2.806 -4.980 0.435 1.00 73.15 C ATOM 853 C THR A 50 -3.162 -3.520 0.119 1.00 21.41 C ATOM 854 O THR A 50 -2.296 -2.801 -0.389 1.00 33.54 O ATOM 855 CB THR A 50 -3.149 -5.868 -0.783 1.00 24.10 C ATOM 856 OG1 THR A 50 -3.079 -7.247 -0.474 1.00 5.14 O ATOM 857 CG2 THR A 50 -2.206 -5.658 -1.966 1.00 65.13 C ATOM 0 H THR A 50 -4.451 -5.631 1.579 1.00 61.22 H new ATOM 0 HA THR A 50 -1.743 -4.923 0.670 1.00 73.15 H new ATOM 0 HB THR A 50 -4.163 -5.568 -1.047 1.00 24.10 H new ATOM 0 HG1 THR A 50 -3.304 -7.772 -1.270 1.00 5.14 H new ATOM 0 HG21 THR A 50 -2.502 -6.311 -2.787 1.00 65.13 H new ATOM 0 HG22 THR A 50 -2.257 -4.619 -2.292 1.00 65.13 H new ATOM 0 HG23 THR A 50 -1.186 -5.894 -1.664 1.00 65.13 H new ATOM 865 N LYS A 51 -4.399 -3.064 0.344 1.00 2.43 N ATOM 866 CA LYS A 51 -4.797 -1.688 0.024 1.00 14.34 C ATOM 867 C LYS A 51 -4.596 -0.803 1.254 1.00 31.53 C ATOM 868 O LYS A 51 -5.130 -1.087 2.327 1.00 74.52 O ATOM 869 CB LYS A 51 -6.246 -1.637 -0.513 1.00 63.31 C ATOM 870 CG LYS A 51 -6.624 -2.710 -1.568 1.00 42.03 C ATOM 871 CD LYS A 51 -8.126 -2.844 -1.894 1.00 4.20 C ATOM 872 CE LYS A 51 -8.755 -1.533 -2.371 1.00 61.13 C ATOM 873 NZ LYS A 51 -10.097 -1.695 -2.974 1.00 10.42 N ATOM 0 H LYS A 51 -5.145 -3.630 0.748 1.00 2.43 H new ATOM 0 HA LYS A 51 -4.164 -1.303 -0.776 1.00 14.34 H new ATOM 0 HB2 LYS A 51 -6.928 -1.732 0.332 1.00 63.31 H new ATOM 0 HB3 LYS A 51 -6.415 -0.653 -0.950 1.00 63.31 H new ATOM 0 HG2 LYS A 51 -6.091 -2.485 -2.492 1.00 42.03 H new ATOM 0 HG3 LYS A 51 -6.261 -3.677 -1.219 1.00 42.03 H new ATOM 0 HD2 LYS A 51 -8.258 -3.605 -2.663 1.00 4.20 H new ATOM 0 HD3 LYS A 51 -8.655 -3.192 -1.007 1.00 4.20 H new ATOM 0 HE2 LYS A 51 -8.828 -0.848 -1.526 1.00 61.13 H new ATOM 0 HE3 LYS A 51 -8.093 -1.069 -3.102 1.00 61.13 H new ATOM 0 HZ1 LYS A 51 -10.472 -0.763 -3.242 1.00 10.42 H new ATOM 0 HZ2 LYS A 51 -10.027 -2.296 -3.820 1.00 10.42 H new ATOM 0 HZ3 LYS A 51 -10.736 -2.140 -2.285 1.00 10.42 H new ATOM 887 N PHE A 52 -3.839 0.278 1.130 1.00 1.01 N ATOM 888 CA PHE A 52 -3.558 1.199 2.224 1.00 10.03 C ATOM 889 C PHE A 52 -4.031 2.598 1.836 1.00 23.14 C ATOM 890 O PHE A 52 -4.140 2.938 0.655 1.00 14.32 O ATOM 891 CB PHE A 52 -2.041 1.203 2.492 1.00 13.01 C ATOM 892 CG PHE A 52 -1.530 0.096 3.395 1.00 63.34 C ATOM 893 CD1 PHE A 52 -1.617 -1.258 3.012 1.00 70.41 C ATOM 894 CD2 PHE A 52 -0.927 0.431 4.622 1.00 34.20 C ATOM 895 CE1 PHE A 52 -1.156 -2.269 3.874 1.00 73.34 C ATOM 896 CE2 PHE A 52 -0.462 -0.577 5.482 1.00 32.30 C ATOM 897 CZ PHE A 52 -0.592 -1.928 5.116 1.00 63.22 C ATOM 0 H PHE A 52 -3.395 0.545 0.251 1.00 1.01 H new ATOM 0 HA PHE A 52 -4.082 0.887 3.127 1.00 10.03 H new ATOM 0 HB2 PHE A 52 -1.522 1.136 1.536 1.00 13.01 H new ATOM 0 HB3 PHE A 52 -1.771 2.162 2.935 1.00 13.01 H new ATOM 0 HD1 PHE A 52 -2.039 -1.520 2.053 1.00 70.41 H new ATOM 0 HD2 PHE A 52 -0.821 1.468 4.903 1.00 34.20 H new ATOM 0 HE1 PHE A 52 -1.235 -3.306 3.582 1.00 73.34 H new ATOM 0 HE2 PHE A 52 -0.005 -0.314 6.424 1.00 32.30 H new ATOM 0 HZ PHE A 52 -0.259 -2.704 5.789 1.00 63.22 H new ATOM 907 N LEU A 53 -4.288 3.424 2.851 1.00 53.13 N ATOM 908 CA LEU A 53 -4.733 4.805 2.717 1.00 14.21 C ATOM 909 C LEU A 53 -3.721 5.627 3.475 1.00 21.24 C ATOM 910 O LEU A 53 -3.723 5.646 4.709 1.00 30.52 O ATOM 911 CB LEU A 53 -6.169 4.994 3.236 1.00 25.21 C ATOM 912 CG LEU A 53 -7.205 4.451 2.251 1.00 33.24 C ATOM 913 CD1 LEU A 53 -8.582 4.296 2.895 1.00 62.32 C ATOM 914 CD2 LEU A 53 -7.342 5.268 0.972 1.00 31.55 C ATOM 0 H LEU A 53 -4.187 3.135 3.824 1.00 53.13 H new ATOM 0 HA LEU A 53 -4.781 5.118 1.674 1.00 14.21 H new ATOM 0 HB2 LEU A 53 -6.279 4.487 4.195 1.00 25.21 H new ATOM 0 HB3 LEU A 53 -6.355 6.053 3.412 1.00 25.21 H new ATOM 0 HG LEU A 53 -6.816 3.472 1.971 1.00 33.24 H new ATOM 0 HD11 LEU A 53 -9.286 3.908 2.159 1.00 62.32 H new ATOM 0 HD12 LEU A 53 -8.515 3.604 3.734 1.00 62.32 H new ATOM 0 HD13 LEU A 53 -8.928 5.266 3.252 1.00 62.32 H new ATOM 0 HD21 LEU A 53 -8.097 4.814 0.330 1.00 31.55 H new ATOM 0 HD22 LEU A 53 -7.642 6.286 1.221 1.00 31.55 H new ATOM 0 HD23 LEU A 53 -6.386 5.289 0.449 1.00 31.55 H new ATOM 926 N VAL A 54 -2.844 6.302 2.741 1.00 3.41 N ATOM 927 CA VAL A 54 -1.785 7.098 3.349 1.00 4.34 C ATOM 928 C VAL A 54 -2.097 8.595 3.203 1.00 73.21 C ATOM 929 O VAL A 54 -2.524 9.002 2.125 1.00 22.51 O ATOM 930 CB VAL A 54 -0.435 6.653 2.749 1.00 24.32 C ATOM 931 CG1 VAL A 54 -0.330 5.121 2.609 1.00 70.15 C ATOM 932 CG2 VAL A 54 -0.199 7.187 1.345 1.00 70.33 C ATOM 0 H VAL A 54 -2.846 6.314 1.721 1.00 3.41 H new ATOM 0 HA VAL A 54 -1.720 6.931 4.424 1.00 4.34 H new ATOM 0 HB VAL A 54 0.297 7.051 3.452 1.00 24.32 H new ATOM 0 HG11 VAL A 54 0.638 4.860 2.182 1.00 70.15 H new ATOM 0 HG12 VAL A 54 -0.430 4.658 3.591 1.00 70.15 H new ATOM 0 HG13 VAL A 54 -1.124 4.760 1.955 1.00 70.15 H new ATOM 0 HG21 VAL A 54 0.767 6.838 0.981 1.00 70.33 H new ATOM 0 HG22 VAL A 54 -0.987 6.830 0.683 1.00 70.33 H new ATOM 0 HG23 VAL A 54 -0.207 8.277 1.364 1.00 70.33 H new ATOM 942 N PRO A 55 -1.966 9.415 4.257 1.00 2.43 N ATOM 943 CA PRO A 55 -2.241 10.839 4.169 1.00 72.14 C ATOM 944 C PRO A 55 -1.218 11.529 3.267 1.00 41.31 C ATOM 945 O PRO A 55 -0.010 11.355 3.433 1.00 54.44 O ATOM 946 CB PRO A 55 -2.248 11.372 5.599 1.00 50.33 C ATOM 947 CG PRO A 55 -1.474 10.332 6.405 1.00 63.14 C ATOM 948 CD PRO A 55 -1.505 9.053 5.580 1.00 45.31 C ATOM 0 HA PRO A 55 -3.208 11.042 3.708 1.00 72.14 H new ATOM 0 HB2 PRO A 55 -1.774 12.352 5.659 1.00 50.33 H new ATOM 0 HB3 PRO A 55 -3.265 11.487 5.974 1.00 50.33 H new ATOM 0 HG2 PRO A 55 -0.449 10.658 6.580 1.00 63.14 H new ATOM 0 HG3 PRO A 55 -1.931 10.177 7.382 1.00 63.14 H new ATOM 0 HD2 PRO A 55 -0.515 8.600 5.533 1.00 45.31 H new ATOM 0 HD3 PRO A 55 -2.170 8.318 6.033 1.00 45.31 H new ATOM 956 N ASP A 56 -1.714 12.376 2.366 1.00 5.32 N ATOM 957 CA ASP A 56 -0.932 13.122 1.381 1.00 62.13 C ATOM 958 C ASP A 56 0.091 14.102 1.957 1.00 52.44 C ATOM 959 O ASP A 56 1.035 14.473 1.258 1.00 50.45 O ATOM 960 CB ASP A 56 -1.905 13.904 0.486 1.00 34.35 C ATOM 961 CG ASP A 56 -2.428 15.171 1.165 1.00 10.04 C ATOM 962 OD1 ASP A 56 -3.334 15.077 2.024 1.00 50.03 O ATOM 963 OD2 ASP A 56 -1.907 16.267 0.863 1.00 13.01 O ATOM 0 H ASP A 56 -2.713 12.569 2.300 1.00 5.32 H new ATOM 0 HA ASP A 56 -0.351 12.377 0.837 1.00 62.13 H new ATOM 0 HB2 ASP A 56 -1.404 14.173 -0.444 1.00 34.35 H new ATOM 0 HB3 ASP A 56 -2.746 13.263 0.221 1.00 34.35 H new ATOM 968 N HIS A 57 -0.078 14.544 3.202 1.00 50.12 N ATOM 969 CA HIS A 57 0.835 15.486 3.837 1.00 63.53 C ATOM 970 C HIS A 57 2.062 14.810 4.457 1.00 34.34 C ATOM 971 O HIS A 57 2.983 15.519 4.863 1.00 11.22 O ATOM 972 CB HIS A 57 0.078 16.307 4.893 1.00 52.31 C ATOM 973 CG HIS A 57 -0.504 15.515 6.035 1.00 65.42 C ATOM 974 ND1 HIS A 57 0.172 15.117 7.158 1.00 30.43 N flip ATOM 975 CD2 HIS A 57 -1.820 15.133 6.181 1.00 31.44 C flip ATOM 976 CE1 HIS A 57 -0.741 14.464 7.993 1.00 71.22 C flip ATOM 977 NE2 HIS A 57 -1.925 14.500 7.362 1.00 51.42 N flip ATOM 0 H HIS A 57 -0.854 14.257 3.798 1.00 50.12 H new ATOM 0 HA HIS A 57 1.214 16.145 3.056 1.00 63.53 H new ATOM 0 HB2 HIS A 57 0.757 17.055 5.302 1.00 52.31 H new ATOM 0 HB3 HIS A 57 -0.730 16.846 4.398 1.00 52.31 H new ATOM 0 HD2 HIS A 57 -2.619 15.310 5.477 1.00 31.44 H new ATOM 0 HE1 HIS A 57 -0.534 14.019 8.955 1.00 71.22 H new ATOM 0 HE2 HIS A 57 -2.789 14.101 7.729 1.00 51.42 H new ATOM 985 N VAL A 58 2.099 13.478 4.563 1.00 51.02 N ATOM 986 CA VAL A 58 3.208 12.740 5.173 1.00 34.43 C ATOM 987 C VAL A 58 4.294 12.362 4.154 1.00 72.45 C ATOM 988 O VAL A 58 4.020 12.105 2.976 1.00 31.13 O ATOM 989 CB VAL A 58 2.604 11.527 5.925 1.00 53.12 C ATOM 990 CG1 VAL A 58 3.624 10.566 6.542 1.00 34.21 C ATOM 991 CG2 VAL A 58 1.720 12.047 7.072 1.00 72.13 C ATOM 0 H VAL A 58 1.350 12.875 4.223 1.00 51.02 H new ATOM 0 HA VAL A 58 3.737 13.371 5.887 1.00 34.43 H new ATOM 0 HB VAL A 58 2.055 10.965 5.169 1.00 53.12 H new ATOM 0 HG11 VAL A 58 3.100 9.753 7.044 1.00 34.21 H new ATOM 0 HG12 VAL A 58 4.260 10.157 5.757 1.00 34.21 H new ATOM 0 HG13 VAL A 58 4.239 11.103 7.265 1.00 34.21 H new ATOM 0 HG21 VAL A 58 1.288 11.203 7.610 1.00 72.13 H new ATOM 0 HG22 VAL A 58 2.325 12.642 7.756 1.00 72.13 H new ATOM 0 HG23 VAL A 58 0.920 12.664 6.664 1.00 72.13 H new ATOM 1001 N ASN A 59 5.555 12.364 4.603 1.00 63.54 N ATOM 1002 CA ASN A 59 6.695 11.997 3.766 1.00 71.14 C ATOM 1003 C ASN A 59 6.967 10.506 3.885 1.00 64.35 C ATOM 1004 O ASN A 59 6.647 9.867 4.898 1.00 25.33 O ATOM 1005 CB ASN A 59 7.970 12.811 4.047 1.00 30.54 C ATOM 1006 CG ASN A 59 8.488 12.817 5.476 1.00 41.02 C ATOM 1007 OD1 ASN A 59 8.344 11.747 6.232 1.00 65.44 O flip ATOM 1008 ND2 ASN A 59 9.088 13.795 5.909 1.00 13.02 N flip ATOM 0 H ASN A 59 5.810 12.621 5.557 1.00 63.54 H new ATOM 0 HA ASN A 59 6.416 12.243 2.742 1.00 71.14 H new ATOM 0 HB2 ASN A 59 8.762 12.432 3.402 1.00 30.54 H new ATOM 0 HB3 ASN A 59 7.784 13.843 3.750 1.00 30.54 H new ATOM 0 HD21 ASN A 59 9.200 14.624 5.325 1.00 13.02 H new ATOM 0 HD22 ASN A 59 9.475 13.779 6.853 1.00 13.02 H new ATOM 1015 N MET A 60 7.682 9.978 2.895 1.00 41.03 N ATOM 1016 CA MET A 60 8.005 8.564 2.849 1.00 50.11 C ATOM 1017 C MET A 60 8.806 8.054 4.040 1.00 21.20 C ATOM 1018 O MET A 60 8.620 6.895 4.403 1.00 33.44 O ATOM 1019 CB MET A 60 8.693 8.217 1.516 1.00 10.32 C ATOM 1020 CG MET A 60 7.773 8.418 0.306 1.00 43.41 C ATOM 1021 SD MET A 60 6.432 7.207 0.174 1.00 25.40 S ATOM 1022 CE MET A 60 7.348 5.803 -0.512 1.00 65.24 C ATOM 0 H MET A 60 8.049 10.517 2.111 1.00 41.03 H new ATOM 0 HA MET A 60 7.053 8.038 2.915 1.00 50.11 H new ATOM 0 HB2 MET A 60 9.582 8.837 1.398 1.00 10.32 H new ATOM 0 HB3 MET A 60 9.029 7.180 1.544 1.00 10.32 H new ATOM 0 HG2 MET A 60 7.340 9.417 0.357 1.00 43.41 H new ATOM 0 HG3 MET A 60 8.374 8.377 -0.602 1.00 43.41 H new ATOM 0 HE1 MET A 60 6.682 4.946 -0.608 1.00 65.24 H new ATOM 0 HE2 MET A 60 7.741 6.069 -1.493 1.00 65.24 H new ATOM 0 HE3 MET A 60 8.174 5.548 0.152 1.00 65.24 H new ATOM 1032 N SER A 61 9.621 8.882 4.702 1.00 73.23 N ATOM 1033 CA SER A 61 10.400 8.421 5.854 1.00 44.34 C ATOM 1034 C SER A 61 9.442 7.864 6.931 1.00 71.53 C ATOM 1035 O SER A 61 9.581 6.728 7.396 1.00 21.34 O ATOM 1036 CB SER A 61 11.296 9.576 6.338 1.00 11.22 C ATOM 1037 OG SER A 61 12.506 9.124 6.921 1.00 65.31 O ATOM 0 H SER A 61 9.757 9.864 4.463 1.00 73.23 H new ATOM 0 HA SER A 61 11.065 7.599 5.591 1.00 44.34 H new ATOM 0 HB2 SER A 61 11.525 10.229 5.496 1.00 11.22 H new ATOM 0 HB3 SER A 61 10.748 10.174 7.066 1.00 11.22 H new ATOM 0 HG SER A 61 13.038 9.895 7.209 1.00 65.31 H new ATOM 1043 N GLU A 62 8.413 8.637 7.275 1.00 34.43 N ATOM 1044 CA GLU A 62 7.394 8.287 8.261 1.00 4.31 C ATOM 1045 C GLU A 62 6.553 7.126 7.769 1.00 74.33 C ATOM 1046 O GLU A 62 6.275 6.196 8.530 1.00 45.44 O ATOM 1047 CB GLU A 62 6.422 9.452 8.446 1.00 73.32 C ATOM 1048 CG GLU A 62 7.060 10.682 9.058 1.00 5.03 C ATOM 1049 CD GLU A 62 7.167 10.574 10.580 1.00 71.55 C ATOM 1050 OE1 GLU A 62 6.172 10.882 11.270 1.00 31.23 O ATOM 1051 OE2 GLU A 62 8.220 10.134 11.099 1.00 23.41 O ATOM 0 H GLU A 62 8.261 9.556 6.860 1.00 34.43 H new ATOM 0 HA GLU A 62 7.913 8.039 9.187 1.00 4.31 H new ATOM 0 HB2 GLU A 62 5.997 9.717 7.478 1.00 73.32 H new ATOM 0 HB3 GLU A 62 5.596 9.128 9.079 1.00 73.32 H new ATOM 0 HG2 GLU A 62 8.054 10.824 8.634 1.00 5.03 H new ATOM 0 HG3 GLU A 62 6.473 11.563 8.797 1.00 5.03 H new ATOM 1058 N LEU A 63 6.142 7.188 6.496 1.00 24.54 N ATOM 1059 CA LEU A 63 5.314 6.145 5.915 1.00 13.21 C ATOM 1060 C LEU A 63 5.974 4.777 6.062 1.00 30.42 C ATOM 1061 O LEU A 63 5.364 3.834 6.576 1.00 10.41 O ATOM 1062 CB LEU A 63 5.000 6.483 4.453 1.00 31.51 C ATOM 1063 CG LEU A 63 3.992 5.501 3.842 1.00 73.51 C ATOM 1064 CD1 LEU A 63 2.713 5.433 4.677 1.00 12.33 C ATOM 1065 CD2 LEU A 63 3.637 5.944 2.428 1.00 30.32 C ATOM 0 H LEU A 63 6.373 7.950 5.858 1.00 24.54 H new ATOM 0 HA LEU A 63 4.369 6.095 6.457 1.00 13.21 H new ATOM 0 HB2 LEU A 63 4.602 7.496 4.392 1.00 31.51 H new ATOM 0 HB3 LEU A 63 5.921 6.467 3.871 1.00 31.51 H new ATOM 0 HG LEU A 63 4.452 4.513 3.824 1.00 73.51 H new ATOM 0 HD11 LEU A 63 2.017 4.729 4.220 1.00 12.33 H new ATOM 0 HD12 LEU A 63 2.955 5.100 5.686 1.00 12.33 H new ATOM 0 HD13 LEU A 63 2.254 6.421 4.721 1.00 12.33 H new ATOM 0 HD21 LEU A 63 2.921 5.245 1.997 1.00 30.32 H new ATOM 0 HD22 LEU A 63 3.197 6.941 2.459 1.00 30.32 H new ATOM 0 HD23 LEU A 63 4.539 5.964 1.816 1.00 30.32 H new ATOM 1077 N ILE A 64 7.237 4.695 5.643 1.00 74.45 N ATOM 1078 CA ILE A 64 8.060 3.500 5.706 1.00 33.30 C ATOM 1079 C ILE A 64 8.093 3.042 7.168 1.00 21.24 C ATOM 1080 O ILE A 64 7.868 1.863 7.447 1.00 43.14 O ATOM 1081 CB ILE A 64 9.441 3.819 5.080 1.00 1.03 C ATOM 1082 CG1 ILE A 64 9.294 3.917 3.541 1.00 62.24 C ATOM 1083 CG2 ILE A 64 10.501 2.771 5.436 1.00 70.13 C ATOM 1084 CD1 ILE A 64 10.501 4.551 2.839 1.00 45.52 C ATOM 0 H ILE A 64 7.727 5.492 5.236 1.00 74.45 H new ATOM 0 HA ILE A 64 7.664 2.666 5.127 1.00 33.30 H new ATOM 0 HB ILE A 64 9.780 4.770 5.491 1.00 1.03 H new ATOM 0 HG12 ILE A 64 9.135 2.917 3.137 1.00 62.24 H new ATOM 0 HG13 ILE A 64 8.403 4.500 3.308 1.00 62.24 H new ATOM 0 HG21 ILE A 64 11.450 3.041 4.973 1.00 70.13 H new ATOM 0 HG22 ILE A 64 10.624 2.731 6.518 1.00 70.13 H new ATOM 0 HG23 ILE A 64 10.184 1.794 5.070 1.00 70.13 H new ATOM 0 HD11 ILE A 64 10.321 4.584 1.764 1.00 45.52 H new ATOM 0 HD12 ILE A 64 10.649 5.564 3.213 1.00 45.52 H new ATOM 0 HD13 ILE A 64 11.392 3.957 3.040 1.00 45.52 H new ATOM 1096 N LYS A 65 8.332 3.956 8.116 1.00 30.10 N ATOM 1097 CA LYS A 65 8.367 3.631 9.540 1.00 50.12 C ATOM 1098 C LYS A 65 7.051 2.995 10.003 1.00 43.11 C ATOM 1099 O LYS A 65 7.113 1.951 10.649 1.00 30.23 O ATOM 1100 CB LYS A 65 8.794 4.877 10.349 1.00 32.50 C ATOM 1101 CG LYS A 65 8.219 5.009 11.777 1.00 70.44 C ATOM 1102 CD LYS A 65 7.304 6.239 11.908 1.00 14.34 C ATOM 1103 CE LYS A 65 6.308 6.097 13.065 1.00 73.15 C ATOM 1104 NZ LYS A 65 5.917 7.419 13.593 1.00 71.13 N ATOM 0 H LYS A 65 8.506 4.940 7.914 1.00 30.10 H new ATOM 0 HA LYS A 65 9.122 2.867 9.726 1.00 50.12 H new ATOM 0 HB2 LYS A 65 9.882 4.881 10.419 1.00 32.50 H new ATOM 0 HB3 LYS A 65 8.508 5.764 9.784 1.00 32.50 H new ATOM 0 HG2 LYS A 65 7.658 4.109 12.028 1.00 70.44 H new ATOM 0 HG3 LYS A 65 9.037 5.085 12.494 1.00 70.44 H new ATOM 0 HD2 LYS A 65 7.914 7.129 12.063 1.00 14.34 H new ATOM 0 HD3 LYS A 65 6.758 6.385 10.976 1.00 14.34 H new ATOM 0 HE2 LYS A 65 5.422 5.562 12.723 1.00 73.15 H new ATOM 0 HE3 LYS A 65 6.753 5.501 13.861 1.00 73.15 H new ATOM 0 HZ1 LYS A 65 5.564 7.314 14.566 1.00 71.13 H new ATOM 0 HZ2 LYS A 65 6.742 8.052 13.591 1.00 71.13 H new ATOM 0 HZ3 LYS A 65 5.169 7.824 12.995 1.00 71.13 H new ATOM 1118 N ILE A 66 5.878 3.576 9.723 1.00 30.40 N ATOM 1119 CA ILE A 66 4.604 2.990 10.173 1.00 10.04 C ATOM 1120 C ILE A 66 4.471 1.575 9.595 1.00 45.23 C ATOM 1121 O ILE A 66 4.040 0.662 10.305 1.00 50.11 O ATOM 1122 CB ILE A 66 3.394 3.925 9.914 1.00 5.44 C ATOM 1123 CG1 ILE A 66 3.609 5.271 10.648 1.00 41.31 C ATOM 1124 CG2 ILE A 66 2.079 3.285 10.383 1.00 51.45 C ATOM 1125 CD1 ILE A 66 2.811 6.432 10.053 1.00 43.05 C ATOM 0 H ILE A 66 5.782 4.442 9.193 1.00 30.40 H new ATOM 0 HA ILE A 66 4.606 2.890 11.258 1.00 10.04 H new ATOM 0 HB ILE A 66 3.323 4.095 8.840 1.00 5.44 H new ATOM 0 HG12 ILE A 66 3.332 5.151 11.696 1.00 41.31 H new ATOM 0 HG13 ILE A 66 4.670 5.522 10.625 1.00 41.31 H new ATOM 0 HG21 ILE A 66 1.252 3.967 10.186 1.00 51.45 H new ATOM 0 HG22 ILE A 66 1.916 2.352 9.844 1.00 51.45 H new ATOM 0 HG23 ILE A 66 2.135 3.081 11.452 1.00 51.45 H new ATOM 0 HD11 ILE A 66 3.013 7.341 10.620 1.00 43.05 H new ATOM 0 HD12 ILE A 66 3.104 6.580 9.014 1.00 43.05 H new ATOM 0 HD13 ILE A 66 1.746 6.204 10.101 1.00 43.05 H new ATOM 1137 N ILE A 67 4.883 1.362 8.340 1.00 61.41 N ATOM 1138 CA ILE A 67 4.832 0.041 7.726 1.00 71.12 C ATOM 1139 C ILE A 67 5.729 -0.897 8.542 1.00 23.23 C ATOM 1140 O ILE A 67 5.264 -1.960 8.941 1.00 3.23 O ATOM 1141 CB ILE A 67 5.156 0.129 6.209 1.00 25.40 C ATOM 1142 CG1 ILE A 67 3.870 -0.057 5.374 1.00 1.02 C ATOM 1143 CG2 ILE A 67 6.203 -0.882 5.706 1.00 12.32 C ATOM 1144 CD1 ILE A 67 2.834 1.048 5.619 1.00 12.04 C ATOM 0 H ILE A 67 5.255 2.092 7.733 1.00 61.41 H new ATOM 0 HA ILE A 67 3.829 -0.384 7.754 1.00 71.12 H new ATOM 0 HB ILE A 67 5.586 1.122 6.079 1.00 25.40 H new ATOM 0 HG12 ILE A 67 4.130 -0.076 4.316 1.00 1.02 H new ATOM 0 HG13 ILE A 67 3.426 -1.024 5.611 1.00 1.02 H new ATOM 0 HG21 ILE A 67 6.360 -0.741 4.637 1.00 12.32 H new ATOM 0 HG22 ILE A 67 7.143 -0.726 6.235 1.00 12.32 H new ATOM 0 HG23 ILE A 67 5.848 -1.896 5.890 1.00 12.32 H new ATOM 0 HD11 ILE A 67 1.953 0.863 5.005 1.00 12.04 H new ATOM 0 HD12 ILE A 67 2.549 1.052 6.671 1.00 12.04 H new ATOM 0 HD13 ILE A 67 3.264 2.014 5.355 1.00 12.04 H new ATOM 1156 N ARG A 68 6.969 -0.512 8.876 1.00 54.31 N ATOM 1157 CA ARG A 68 7.858 -1.376 9.649 1.00 63.53 C ATOM 1158 C ARG A 68 7.303 -1.657 11.038 1.00 21.34 C ATOM 1159 O ARG A 68 7.517 -2.747 11.561 1.00 30.21 O ATOM 1160 CB ARG A 68 9.243 -0.737 9.762 1.00 42.44 C ATOM 1161 CG ARG A 68 9.932 -0.649 8.396 1.00 23.51 C ATOM 1162 CD ARG A 68 11.272 0.075 8.523 1.00 1.44 C ATOM 1163 NE ARG A 68 12.392 -0.864 8.400 1.00 14.10 N ATOM 1164 CZ ARG A 68 13.685 -0.529 8.520 1.00 54.15 C ATOM 1165 NH1 ARG A 68 14.028 0.732 8.763 1.00 11.43 N ATOM 1166 NH2 ARG A 68 14.636 -1.450 8.404 1.00 45.03 N ATOM 0 H ARG A 68 7.373 0.389 8.622 1.00 54.31 H new ATOM 0 HA ARG A 68 7.936 -2.327 9.122 1.00 63.53 H new ATOM 0 HB2 ARG A 68 9.151 0.261 10.190 1.00 42.44 H new ATOM 0 HB3 ARG A 68 9.860 -1.321 10.445 1.00 42.44 H new ATOM 0 HG2 ARG A 68 10.089 -1.650 7.995 1.00 23.51 H new ATOM 0 HG3 ARG A 68 9.291 -0.120 7.691 1.00 23.51 H new ATOM 0 HD2 ARG A 68 11.349 0.842 7.752 1.00 1.44 H new ATOM 0 HD3 ARG A 68 11.324 0.584 9.485 1.00 1.44 H new ATOM 0 HE ARG A 68 12.172 -1.842 8.210 1.00 14.10 H new ATOM 0 HH11 ARG A 68 13.307 1.447 8.859 1.00 11.43 H new ATOM 0 HH12 ARG A 68 15.012 0.984 8.854 1.00 11.43 H new ATOM 0 HH21 ARG A 68 14.385 -2.422 8.222 1.00 45.03 H new ATOM 0 HH22 ARG A 68 15.617 -1.185 8.497 1.00 45.03 H new ATOM 1180 N ARG A 69 6.580 -0.702 11.632 1.00 41.13 N ATOM 1181 CA ARG A 69 5.996 -0.846 12.959 1.00 63.14 C ATOM 1182 C ARG A 69 4.991 -1.987 12.959 1.00 43.13 C ATOM 1183 O ARG A 69 5.173 -2.955 13.700 1.00 72.34 O ATOM 1184 CB ARG A 69 5.352 0.486 13.380 1.00 71.21 C ATOM 1185 CG ARG A 69 4.889 0.460 14.846 1.00 21.20 C ATOM 1186 CD ARG A 69 4.715 1.878 15.404 1.00 4.30 C ATOM 1187 NE ARG A 69 6.022 2.514 15.618 1.00 3.34 N ATOM 1188 CZ ARG A 69 6.318 3.691 16.176 1.00 51.34 C ATOM 1189 NH1 ARG A 69 5.409 4.408 16.819 1.00 14.22 N ATOM 1190 NH2 ARG A 69 7.555 4.143 16.036 1.00 10.04 N ATOM 0 H ARG A 69 6.385 0.199 11.196 1.00 41.13 H new ATOM 0 HA ARG A 69 6.770 -1.091 13.686 1.00 63.14 H new ATOM 0 HB2 ARG A 69 6.068 1.296 13.240 1.00 71.21 H new ATOM 0 HB3 ARG A 69 4.500 0.698 12.734 1.00 71.21 H new ATOM 0 HG2 ARG A 69 3.945 -0.080 14.921 1.00 21.20 H new ATOM 0 HG3 ARG A 69 5.617 -0.083 15.449 1.00 21.20 H new ATOM 0 HD2 ARG A 69 4.122 2.477 14.712 1.00 4.30 H new ATOM 0 HD3 ARG A 69 4.165 1.840 16.344 1.00 4.30 H new ATOM 0 HE ARG A 69 6.824 1.976 15.291 1.00 3.34 H new ATOM 0 HH11 ARG A 69 4.452 4.065 16.899 1.00 14.22 H new ATOM 0 HH12 ARG A 69 5.666 5.303 17.235 1.00 14.22 H new ATOM 0 HH21 ARG A 69 8.242 3.596 15.517 1.00 10.04 H new ATOM 0 HH22 ARG A 69 7.821 5.038 16.447 1.00 10.04 H new ATOM 1204 N ARG A 70 3.949 -1.905 12.125 1.00 5.44 N ATOM 1205 CA ARG A 70 2.953 -2.977 12.081 1.00 41.32 C ATOM 1206 C ARG A 70 3.560 -4.272 11.555 1.00 34.51 C ATOM 1207 O ARG A 70 3.258 -5.328 12.090 1.00 14.30 O ATOM 1208 CB ARG A 70 1.695 -2.598 11.291 1.00 41.12 C ATOM 1209 CG ARG A 70 1.933 -1.833 9.973 1.00 74.41 C ATOM 1210 CD ARG A 70 1.068 -2.278 8.777 1.00 70.21 C ATOM 1211 NE ARG A 70 -0.254 -2.799 9.158 1.00 21.10 N ATOM 1212 CZ ARG A 70 -1.327 -2.090 9.523 1.00 25.51 C ATOM 1213 NH1 ARG A 70 -1.391 -0.784 9.301 1.00 63.22 N ATOM 1214 NH2 ARG A 70 -2.339 -2.697 10.122 1.00 44.21 N ATOM 0 H ARG A 70 3.776 -1.128 11.487 1.00 5.44 H new ATOM 0 HA ARG A 70 2.633 -3.138 13.110 1.00 41.32 H new ATOM 0 HB2 ARG A 70 1.143 -3.510 11.065 1.00 41.12 H new ATOM 0 HB3 ARG A 70 1.057 -1.990 11.932 1.00 41.12 H new ATOM 0 HG2 ARG A 70 1.755 -0.773 10.152 1.00 74.41 H new ATOM 0 HG3 ARG A 70 2.982 -1.938 9.698 1.00 74.41 H new ATOM 0 HD2 ARG A 70 0.934 -1.431 8.104 1.00 70.21 H new ATOM 0 HD3 ARG A 70 1.604 -3.047 8.220 1.00 70.21 H new ATOM 0 HE ARG A 70 -0.364 -3.813 9.142 1.00 21.10 H new ATOM 0 HH11 ARG A 70 -0.614 -0.305 8.845 1.00 63.22 H new ATOM 0 HH12 ARG A 70 -2.217 -0.258 9.586 1.00 63.22 H new ATOM 0 HH21 ARG A 70 -2.297 -3.700 10.303 1.00 44.21 H new ATOM 0 HH22 ARG A 70 -3.161 -2.162 10.403 1.00 44.21 H new ATOM 1228 N LEU A 71 4.459 -4.198 10.572 1.00 23.30 N ATOM 1229 CA LEU A 71 5.125 -5.359 9.982 1.00 65.11 C ATOM 1230 C LEU A 71 6.194 -5.963 10.912 1.00 12.42 C ATOM 1231 O LEU A 71 6.927 -6.855 10.500 1.00 50.31 O ATOM 1232 CB LEU A 71 5.693 -4.944 8.611 1.00 30.10 C ATOM 1233 CG LEU A 71 6.037 -6.091 7.646 1.00 42.43 C ATOM 1234 CD1 LEU A 71 4.825 -6.987 7.361 1.00 54.14 C ATOM 1235 CD2 LEU A 71 6.544 -5.491 6.333 1.00 24.32 C ATOM 0 H LEU A 71 4.749 -3.313 10.156 1.00 23.30 H new ATOM 0 HA LEU A 71 4.400 -6.160 9.842 1.00 65.11 H new ATOM 0 HB2 LEU A 71 4.969 -4.291 8.123 1.00 30.10 H new ATOM 0 HB3 LEU A 71 6.594 -4.354 8.777 1.00 30.10 H new ATOM 0 HG LEU A 71 6.802 -6.712 8.113 1.00 42.43 H new ATOM 0 HD11 LEU A 71 5.114 -7.783 6.675 1.00 54.14 H new ATOM 0 HD12 LEU A 71 4.468 -7.424 8.294 1.00 54.14 H new ATOM 0 HD13 LEU A 71 4.030 -6.392 6.911 1.00 54.14 H new ATOM 0 HD21 LEU A 71 6.792 -6.293 5.638 1.00 24.32 H new ATOM 0 HD22 LEU A 71 5.769 -4.861 5.898 1.00 24.32 H new ATOM 0 HD23 LEU A 71 7.433 -4.891 6.527 1.00 24.32 H new ATOM 1247 N GLN A 72 6.319 -5.457 12.149 1.00 72.55 N ATOM 1248 CA GLN A 72 7.255 -5.892 13.182 1.00 45.01 C ATOM 1249 C GLN A 72 8.674 -6.111 12.627 1.00 45.03 C ATOM 1250 O GLN A 72 9.385 -7.035 13.044 1.00 43.42 O ATOM 1251 CB GLN A 72 6.700 -7.152 13.867 1.00 21.40 C ATOM 1252 CG GLN A 72 5.301 -7.048 14.482 1.00 1.33 C ATOM 1253 CD GLN A 72 5.365 -6.245 15.769 1.00 44.24 C ATOM 1254 OE1 GLN A 72 5.807 -6.743 16.803 1.00 54.02 O ATOM 1255 NE2 GLN A 72 5.046 -4.967 15.730 1.00 51.23 N ATOM 0 H GLN A 72 5.731 -4.687 12.468 1.00 72.55 H new ATOM 0 HA GLN A 72 7.351 -5.100 13.925 1.00 45.01 H new ATOM 0 HB2 GLN A 72 6.689 -7.959 13.135 1.00 21.40 H new ATOM 0 HB3 GLN A 72 7.395 -7.444 14.654 1.00 21.40 H new ATOM 0 HG2 GLN A 72 4.619 -6.571 13.778 1.00 1.33 H new ATOM 0 HG3 GLN A 72 4.907 -8.044 14.683 1.00 1.33 H new ATOM 0 HE21 GLN A 72 4.680 -4.559 14.870 1.00 51.23 H new ATOM 0 HE22 GLN A 72 5.165 -4.386 16.560 1.00 51.23 H new ATOM 1264 N LEU A 73 9.098 -5.241 11.706 1.00 22.31 N ATOM 1265 CA LEU A 73 10.397 -5.331 11.063 1.00 45.35 C ATOM 1266 C LEU A 73 11.533 -5.260 12.077 1.00 54.22 C ATOM 1267 O LEU A 73 11.515 -4.455 13.014 1.00 51.24 O ATOM 1268 CB LEU A 73 10.533 -4.259 9.964 1.00 65.41 C ATOM 1269 CG LEU A 73 11.180 -4.733 8.648 1.00 65.55 C ATOM 1270 CD1 LEU A 73 12.632 -5.206 8.774 1.00 73.11 C ATOM 1271 CD2 LEU A 73 10.339 -5.820 7.966 1.00 41.11 C ATOM 0 H LEU A 73 8.538 -4.450 11.388 1.00 22.31 H new ATOM 0 HA LEU A 73 10.471 -6.307 10.584 1.00 45.35 H new ATOM 0 HB2 LEU A 73 9.541 -3.866 9.740 1.00 65.41 H new ATOM 0 HB3 LEU A 73 11.121 -3.431 10.360 1.00 65.41 H new ATOM 0 HG LEU A 73 11.206 -3.837 8.027 1.00 65.55 H new ATOM 0 HD11 LEU A 73 12.999 -5.519 7.796 1.00 73.11 H new ATOM 0 HD12 LEU A 73 13.249 -4.390 9.149 1.00 73.11 H new ATOM 0 HD13 LEU A 73 12.682 -6.046 9.467 1.00 73.11 H new ATOM 0 HD21 LEU A 73 10.826 -6.130 7.041 1.00 41.11 H new ATOM 0 HD22 LEU A 73 10.244 -6.678 8.632 1.00 41.11 H new ATOM 0 HD23 LEU A 73 9.348 -5.425 7.740 1.00 41.11 H new ATOM 1283 N ASN A 74 12.526 -6.110 11.844 1.00 74.35 N ATOM 1284 CA ASN A 74 13.740 -6.285 12.605 1.00 22.40 C ATOM 1285 C ASN A 74 14.565 -5.013 12.585 1.00 2.23 C ATOM 1286 O ASN A 74 14.320 -4.099 11.795 1.00 11.10 O ATOM 1287 CB ASN A 74 14.559 -7.398 11.919 1.00 41.01 C ATOM 1288 CG ASN A 74 14.579 -8.716 12.655 1.00 5.10 C ATOM 1289 OD1 ASN A 74 14.226 -8.823 13.823 1.00 4.33 O ATOM 1290 ND2 ASN A 74 15.032 -9.744 11.965 1.00 1.21 N ATOM 0 H ASN A 74 12.491 -6.746 11.047 1.00 74.35 H new ATOM 0 HA ASN A 74 13.495 -6.535 13.637 1.00 22.40 H new ATOM 0 HB2 ASN A 74 14.156 -7.562 10.920 1.00 41.01 H new ATOM 0 HB3 ASN A 74 15.585 -7.051 11.796 1.00 41.01 H new ATOM 0 HD21 ASN A 74 15.097 -10.663 12.402 1.00 1.21 H new ATOM 0 HD22 ASN A 74 15.318 -9.620 10.994 1.00 1.21 H new ATOM 1297 N ALA A 75 15.580 -4.988 13.437 1.00 53.25 N ATOM 1298 CA ALA A 75 16.523 -3.902 13.584 1.00 62.12 C ATOM 1299 C ALA A 75 17.830 -4.306 12.895 1.00 52.32 C ATOM 1300 O ALA A 75 18.556 -3.434 12.420 1.00 11.10 O ATOM 1301 CB ALA A 75 16.725 -3.591 15.066 1.00 54.32 C ATOM 0 H ALA A 75 15.772 -5.763 14.071 1.00 53.25 H new ATOM 0 HA ALA A 75 16.149 -2.992 13.115 1.00 62.12 H new ATOM 0 HB1 ALA A 75 17.436 -2.772 15.172 1.00 54.32 H new ATOM 0 HB2 ALA A 75 15.772 -3.304 15.511 1.00 54.32 H new ATOM 0 HB3 ALA A 75 17.111 -4.475 15.574 1.00 54.32 H new ATOM 1307 N ASN A 76 18.118 -5.612 12.773 1.00 32.12 N ATOM 1308 CA ASN A 76 19.338 -6.080 12.115 1.00 10.41 C ATOM 1309 C ASN A 76 19.197 -6.070 10.596 1.00 74.15 C ATOM 1310 O ASN A 76 20.201 -6.245 9.906 1.00 23.12 O ATOM 1311 CB ASN A 76 19.721 -7.505 12.553 1.00 14.00 C ATOM 1312 CG ASN A 76 18.764 -8.574 12.034 1.00 30.10 C ATOM 1313 OD1 ASN A 76 17.754 -8.909 12.808 1.00 12.11 O flip ATOM 1314 ND2 ASN A 76 18.871 -9.073 10.916 1.00 73.41 N flip ATOM 0 H ASN A 76 17.519 -6.359 13.123 1.00 32.12 H new ATOM 0 HA ASN A 76 20.122 -5.386 12.418 1.00 10.41 H new ATOM 0 HB2 ASN A 76 20.728 -7.727 12.201 1.00 14.00 H new ATOM 0 HB3 ASN A 76 19.747 -7.548 13.642 1.00 14.00 H new ATOM 0 HD21 ASN A 76 19.653 -8.814 10.315 1.00 73.41 H new ATOM 0 HD22 ASN A 76 18.177 -9.746 10.589 1.00 73.41 H new ATOM 1321 N GLN A 77 17.984 -5.871 10.060 1.00 1.32 N ATOM 1322 CA GLN A 77 17.768 -5.889 8.618 1.00 62.44 C ATOM 1323 C GLN A 77 17.006 -4.693 8.082 1.00 71.33 C ATOM 1324 O GLN A 77 16.261 -4.028 8.813 1.00 30.41 O ATOM 1325 CB GLN A 77 17.165 -7.222 8.196 1.00 30.14 C ATOM 1326 CG GLN A 77 15.648 -7.255 8.293 1.00 4.31 C ATOM 1327 CD GLN A 77 15.231 -8.686 8.056 1.00 22.51 C ATOM 1328 OE1 GLN A 77 15.082 -9.456 9.005 1.00 64.22 O ATOM 1329 NE2 GLN A 77 15.220 -9.077 6.795 1.00 30.20 N ATOM 0 H GLN A 77 17.142 -5.696 10.609 1.00 1.32 H new ATOM 0 HA GLN A 77 18.748 -5.792 8.150 1.00 62.44 H new ATOM 0 HB2 GLN A 77 17.461 -7.438 7.169 1.00 30.14 H new ATOM 0 HB3 GLN A 77 17.579 -8.014 8.820 1.00 30.14 H new ATOM 0 HG2 GLN A 77 15.315 -6.912 9.272 1.00 4.31 H new ATOM 0 HG3 GLN A 77 15.198 -6.593 7.553 1.00 4.31 H new ATOM 0 HE21 GLN A 77 15.349 -8.394 6.048 1.00 30.20 H new ATOM 0 HE22 GLN A 77 15.083 -10.062 6.568 1.00 30.20 H new ATOM 1338 N ALA A 78 17.253 -4.412 6.807 1.00 45.05 N ATOM 1339 CA ALA A 78 16.644 -3.335 6.062 1.00 50.23 C ATOM 1340 C ALA A 78 15.837 -3.895 4.897 1.00 11.24 C ATOM 1341 O ALA A 78 15.937 -5.075 4.542 1.00 65.02 O ATOM 1342 CB ALA A 78 17.727 -2.392 5.539 1.00 10.11 C ATOM 0 H ALA A 78 17.911 -4.955 6.249 1.00 45.05 H new ATOM 0 HA ALA A 78 15.974 -2.782 6.721 1.00 50.23 H new ATOM 0 HB1 ALA A 78 17.263 -1.581 4.978 1.00 10.11 H new ATOM 0 HB2 ALA A 78 18.286 -1.979 6.379 1.00 10.11 H new ATOM 0 HB3 ALA A 78 18.405 -2.943 4.887 1.00 10.11 H new ATOM 1348 N PHE A 79 15.013 -3.025 4.331 1.00 43.33 N ATOM 1349 CA PHE A 79 14.150 -3.285 3.199 1.00 62.22 C ATOM 1350 C PHE A 79 13.971 -1.988 2.418 1.00 41.32 C ATOM 1351 O PHE A 79 14.285 -0.900 2.918 1.00 65.22 O ATOM 1352 CB PHE A 79 12.802 -3.861 3.654 1.00 32.23 C ATOM 1353 CG PHE A 79 11.722 -2.827 3.898 1.00 61.43 C ATOM 1354 CD1 PHE A 79 11.886 -1.851 4.893 1.00 3.13 C ATOM 1355 CD2 PHE A 79 10.586 -2.792 3.071 1.00 62.01 C ATOM 1356 CE1 PHE A 79 10.921 -0.848 5.053 1.00 50.24 C ATOM 1357 CE2 PHE A 79 9.598 -1.810 3.258 1.00 61.45 C ATOM 1358 CZ PHE A 79 9.767 -0.835 4.252 1.00 3.01 C ATOM 0 H PHE A 79 14.928 -2.067 4.672 1.00 43.33 H new ATOM 0 HA PHE A 79 14.606 -4.034 2.552 1.00 62.22 H new ATOM 0 HB2 PHE A 79 12.449 -4.564 2.899 1.00 32.23 H new ATOM 0 HB3 PHE A 79 12.956 -4.429 4.571 1.00 32.23 H new ATOM 0 HD1 PHE A 79 12.755 -1.873 5.534 1.00 3.13 H new ATOM 0 HD2 PHE A 79 10.471 -3.525 2.286 1.00 62.01 H new ATOM 0 HE1 PHE A 79 11.065 -0.079 5.798 1.00 50.24 H new ATOM 0 HE2 PHE A 79 8.713 -1.806 2.639 1.00 61.45 H new ATOM 0 HZ PHE A 79 9.012 -0.077 4.401 1.00 3.01 H new ATOM 1368 N PHE A 80 13.423 -2.102 1.218 1.00 71.23 N ATOM 1369 CA PHE A 80 13.161 -1.003 0.323 1.00 24.11 C ATOM 1370 C PHE A 80 11.747 -1.157 -0.212 1.00 30.13 C ATOM 1371 O PHE A 80 11.200 -2.265 -0.290 1.00 22.44 O ATOM 1372 CB PHE A 80 14.212 -0.970 -0.789 1.00 3.24 C ATOM 1373 CG PHE A 80 15.632 -0.774 -0.277 1.00 31.00 C ATOM 1374 CD1 PHE A 80 16.360 -1.861 0.249 1.00 30.01 C ATOM 1375 CD2 PHE A 80 16.220 0.504 -0.297 1.00 61.45 C ATOM 1376 CE1 PHE A 80 17.652 -1.675 0.768 1.00 65.04 C ATOM 1377 CE2 PHE A 80 17.515 0.688 0.216 1.00 73.24 C ATOM 1378 CZ PHE A 80 18.228 -0.394 0.756 1.00 22.24 C ATOM 0 H PHE A 80 13.140 -3.003 0.832 1.00 71.23 H new ATOM 0 HA PHE A 80 13.231 -0.047 0.842 1.00 24.11 H new ATOM 0 HB2 PHE A 80 14.163 -1.902 -1.352 1.00 3.24 H new ATOM 0 HB3 PHE A 80 13.970 -0.165 -1.483 1.00 3.24 H new ATOM 0 HD1 PHE A 80 15.920 -2.847 0.253 1.00 30.01 H new ATOM 0 HD2 PHE A 80 15.676 1.343 -0.706 1.00 61.45 H new ATOM 0 HE1 PHE A 80 18.200 -2.513 1.174 1.00 65.04 H new ATOM 0 HE2 PHE A 80 17.965 1.669 0.195 1.00 73.24 H new ATOM 0 HZ PHE A 80 19.217 -0.242 1.161 1.00 22.24 H new ATOM 1388 N LEU A 81 11.176 -0.010 -0.561 1.00 53.45 N ATOM 1389 CA LEU A 81 9.842 0.181 -1.094 1.00 41.54 C ATOM 1390 C LEU A 81 10.060 0.825 -2.462 1.00 31.33 C ATOM 1391 O LEU A 81 10.442 1.993 -2.557 1.00 10.54 O ATOM 1392 CB LEU A 81 9.066 1.041 -0.087 1.00 45.41 C ATOM 1393 CG LEU A 81 7.616 1.359 -0.475 1.00 23.30 C ATOM 1394 CD1 LEU A 81 6.740 0.100 -0.516 1.00 45.13 C ATOM 1395 CD2 LEU A 81 7.058 2.314 0.588 1.00 74.32 C ATOM 0 H LEU A 81 11.676 0.875 -0.470 1.00 53.45 H new ATOM 0 HA LEU A 81 9.249 -0.723 -1.231 1.00 41.54 H new ATOM 0 HB2 LEU A 81 9.063 0.530 0.876 1.00 45.41 H new ATOM 0 HB3 LEU A 81 9.602 1.980 0.052 1.00 45.41 H new ATOM 0 HG LEU A 81 7.605 1.799 -1.472 1.00 23.30 H new ATOM 0 HD11 LEU A 81 5.722 0.374 -0.795 1.00 45.13 H new ATOM 0 HD12 LEU A 81 7.142 -0.599 -1.249 1.00 45.13 H new ATOM 0 HD13 LEU A 81 6.733 -0.370 0.467 1.00 45.13 H new ATOM 0 HD21 LEU A 81 6.025 2.564 0.346 1.00 74.32 H new ATOM 0 HD22 LEU A 81 7.095 1.833 1.565 1.00 74.32 H new ATOM 0 HD23 LEU A 81 7.657 3.225 0.609 1.00 74.32 H new ATOM 1407 N LEU A 82 9.871 0.022 -3.502 1.00 51.54 N ATOM 1408 CA LEU A 82 10.045 0.349 -4.906 1.00 50.44 C ATOM 1409 C LEU A 82 8.663 0.713 -5.448 1.00 53.52 C ATOM 1410 O LEU A 82 7.669 0.066 -5.116 1.00 70.35 O ATOM 1411 CB LEU A 82 10.619 -0.889 -5.618 1.00 64.05 C ATOM 1412 CG LEU A 82 11.991 -1.361 -5.078 1.00 3.43 C ATOM 1413 CD1 LEU A 82 11.867 -2.457 -4.007 1.00 14.12 C ATOM 1414 CD2 LEU A 82 12.861 -1.891 -6.225 1.00 51.35 C ATOM 0 H LEU A 82 9.570 -0.944 -3.373 1.00 51.54 H new ATOM 0 HA LEU A 82 10.730 1.182 -5.064 1.00 50.44 H new ATOM 0 HB2 LEU A 82 9.906 -1.708 -5.527 1.00 64.05 H new ATOM 0 HB3 LEU A 82 10.717 -0.668 -6.681 1.00 64.05 H new ATOM 0 HG LEU A 82 12.454 -0.489 -4.615 1.00 3.43 H new ATOM 0 HD11 LEU A 82 12.861 -2.747 -3.667 1.00 14.12 H new ATOM 0 HD12 LEU A 82 11.291 -2.078 -3.163 1.00 14.12 H new ATOM 0 HD13 LEU A 82 11.361 -3.324 -4.431 1.00 14.12 H new ATOM 0 HD21 LEU A 82 13.823 -2.219 -5.831 1.00 51.35 H new ATOM 0 HD22 LEU A 82 12.359 -2.732 -6.704 1.00 51.35 H new ATOM 0 HD23 LEU A 82 13.020 -1.099 -6.957 1.00 51.35 H new ATOM 1426 N VAL A 83 8.575 1.774 -6.245 1.00 23.10 N ATOM 1427 CA VAL A 83 7.312 2.247 -6.823 1.00 23.43 C ATOM 1428 C VAL A 83 7.235 1.614 -8.198 1.00 23.04 C ATOM 1429 O VAL A 83 8.195 1.712 -8.952 1.00 44.53 O ATOM 1430 CB VAL A 83 7.246 3.786 -6.855 1.00 14.12 C ATOM 1431 CG1 VAL A 83 5.813 4.242 -7.163 1.00 71.43 C ATOM 1432 CG2 VAL A 83 7.649 4.382 -5.498 1.00 42.24 C ATOM 0 H VAL A 83 9.382 2.337 -6.513 1.00 23.10 H new ATOM 0 HA VAL A 83 6.450 1.956 -6.223 1.00 23.43 H new ATOM 0 HB VAL A 83 7.935 4.130 -7.626 1.00 14.12 H new ATOM 0 HG11 VAL A 83 5.774 5.331 -7.184 1.00 71.43 H new ATOM 0 HG12 VAL A 83 5.507 3.849 -8.133 1.00 71.43 H new ATOM 0 HG13 VAL A 83 5.139 3.870 -6.391 1.00 71.43 H new ATOM 0 HG21 VAL A 83 7.594 5.469 -5.547 1.00 42.24 H new ATOM 0 HG22 VAL A 83 6.971 4.019 -4.725 1.00 42.24 H new ATOM 0 HG23 VAL A 83 8.668 4.081 -5.257 1.00 42.24 H new ATOM 1442 N ASN A 84 6.160 0.884 -8.508 1.00 65.35 N ATOM 1443 CA ASN A 84 5.992 0.186 -9.791 1.00 50.25 C ATOM 1444 C ASN A 84 7.107 -0.847 -10.039 1.00 43.52 C ATOM 1445 O ASN A 84 7.184 -1.420 -11.129 1.00 65.23 O ATOM 1446 CB ASN A 84 5.870 1.178 -10.971 1.00 15.42 C ATOM 1447 CG ASN A 84 4.461 1.710 -11.100 1.00 4.54 C ATOM 1448 OD1 ASN A 84 3.547 0.918 -11.319 1.00 60.02 O ATOM 1449 ND2 ASN A 84 4.266 3.009 -10.965 1.00 73.05 N ATOM 0 H ASN A 84 5.373 0.758 -7.871 1.00 65.35 H new ATOM 0 HA ASN A 84 5.053 -0.365 -9.727 1.00 50.25 H new ATOM 0 HB2 ASN A 84 6.562 2.007 -10.824 1.00 15.42 H new ATOM 0 HB3 ASN A 84 6.159 0.682 -11.897 1.00 15.42 H new ATOM 0 HD21 ASN A 84 3.325 3.394 -11.042 1.00 73.05 H new ATOM 0 HD22 ASN A 84 5.057 3.627 -10.784 1.00 73.05 H new ATOM 1456 N GLY A 85 7.929 -1.159 -9.030 1.00 12.54 N ATOM 1457 CA GLY A 85 9.057 -2.083 -9.108 1.00 73.41 C ATOM 1458 C GLY A 85 10.363 -1.320 -9.335 1.00 14.43 C ATOM 1459 O GLY A 85 11.384 -1.934 -9.642 1.00 21.21 O ATOM 0 H GLY A 85 7.818 -0.755 -8.100 1.00 12.54 H new ATOM 0 HA2 GLY A 85 9.124 -2.663 -8.187 1.00 73.41 H new ATOM 0 HA3 GLY A 85 8.898 -2.792 -9.920 1.00 73.41 H new ATOM 1463 N HIS A 86 10.339 0.000 -9.127 1.00 50.43 N ATOM 1464 CA HIS A 86 11.437 0.921 -9.312 1.00 14.21 C ATOM 1465 C HIS A 86 11.710 1.792 -8.075 1.00 61.13 C ATOM 1466 O HIS A 86 10.886 2.597 -7.636 1.00 54.53 O ATOM 1467 CB HIS A 86 11.141 1.754 -10.573 1.00 51.44 C ATOM 1468 CG HIS A 86 10.740 0.904 -11.763 1.00 40.25 C ATOM 1469 ND1 HIS A 86 11.492 -0.107 -12.315 1.00 20.24 N ATOM 1470 CD2 HIS A 86 9.511 0.872 -12.367 1.00 22.30 C ATOM 1471 CE1 HIS A 86 10.743 -0.733 -13.234 1.00 12.12 C ATOM 1472 NE2 HIS A 86 9.521 -0.170 -13.309 1.00 63.33 N ATOM 0 H HIS A 86 9.494 0.472 -8.805 1.00 50.43 H new ATOM 0 HA HIS A 86 12.362 0.360 -9.448 1.00 14.21 H new ATOM 0 HB2 HIS A 86 10.343 2.463 -10.354 1.00 51.44 H new ATOM 0 HB3 HIS A 86 12.024 2.338 -10.832 1.00 51.44 H new ATOM 0 HD2 HIS A 86 8.682 1.531 -12.156 1.00 22.30 H new ATOM 0 HE1 HIS A 86 11.073 -1.571 -13.830 1.00 12.12 H new ATOM 0 HE2 HIS A 86 8.757 -0.445 -13.926 1.00 63.33 H new ATOM 1480 N SER A 87 12.845 1.551 -7.432 1.00 3.13 N ATOM 1481 CA SER A 87 13.385 2.248 -6.279 1.00 33.01 C ATOM 1482 C SER A 87 13.886 3.575 -6.868 1.00 51.43 C ATOM 1483 O SER A 87 15.065 3.733 -7.184 1.00 5.50 O ATOM 1484 CB SER A 87 14.531 1.389 -5.710 1.00 24.21 C ATOM 1485 OG SER A 87 15.002 1.776 -4.433 1.00 73.11 O ATOM 0 H SER A 87 13.462 0.797 -7.733 1.00 3.13 H new ATOM 0 HA SER A 87 12.682 2.423 -5.464 1.00 33.01 H new ATOM 0 HB2 SER A 87 14.194 0.354 -5.656 1.00 24.21 H new ATOM 0 HB3 SER A 87 15.366 1.417 -6.410 1.00 24.21 H new ATOM 0 HG SER A 87 15.347 2.692 -4.475 1.00 73.11 H new ATOM 1491 N MET A 88 12.980 4.544 -7.004 1.00 11.10 N ATOM 1492 CA MET A 88 13.271 5.868 -7.555 1.00 54.14 C ATOM 1493 C MET A 88 12.685 7.001 -6.708 1.00 22.43 C ATOM 1494 O MET A 88 12.752 8.162 -7.112 1.00 64.13 O ATOM 1495 CB MET A 88 12.752 5.937 -9.005 1.00 74.43 C ATOM 1496 CG MET A 88 11.229 5.742 -9.113 1.00 13.34 C ATOM 1497 SD MET A 88 10.480 6.283 -10.670 1.00 73.33 S ATOM 1498 CE MET A 88 10.591 8.078 -10.461 1.00 55.44 C ATOM 0 H MET A 88 12.005 4.428 -6.729 1.00 11.10 H new ATOM 0 HA MET A 88 14.352 6.009 -7.542 1.00 54.14 H new ATOM 0 HB2 MET A 88 13.020 6.902 -9.434 1.00 74.43 H new ATOM 0 HB3 MET A 88 13.253 5.173 -9.600 1.00 74.43 H new ATOM 0 HG2 MET A 88 11.005 4.685 -8.971 1.00 13.34 H new ATOM 0 HG3 MET A 88 10.753 6.282 -8.294 1.00 13.34 H new ATOM 0 HE1 MET A 88 9.988 8.571 -11.224 1.00 55.44 H new ATOM 0 HE2 MET A 88 10.222 8.353 -9.473 1.00 55.44 H new ATOM 0 HE3 MET A 88 11.630 8.392 -10.561 1.00 55.44 H new ATOM 1508 N VAL A 89 12.072 6.676 -5.567 1.00 4.54 N ATOM 1509 CA VAL A 89 11.435 7.631 -4.675 1.00 41.34 C ATOM 1510 C VAL A 89 12.338 8.028 -3.514 1.00 21.00 C ATOM 1511 O VAL A 89 12.916 7.175 -2.833 1.00 3.23 O ATOM 1512 CB VAL A 89 10.070 7.064 -4.234 1.00 23.02 C ATOM 1513 CG1 VAL A 89 10.157 5.687 -3.560 1.00 70.15 C ATOM 1514 CG2 VAL A 89 9.348 8.010 -3.274 1.00 23.21 C ATOM 0 H VAL A 89 12.007 5.714 -5.235 1.00 4.54 H new ATOM 0 HA VAL A 89 11.256 8.566 -5.207 1.00 41.34 H new ATOM 0 HB VAL A 89 9.511 6.957 -5.164 1.00 23.02 H new ATOM 0 HG11 VAL A 89 9.157 5.356 -3.279 1.00 70.15 H new ATOM 0 HG12 VAL A 89 10.595 4.969 -4.254 1.00 70.15 H new ATOM 0 HG13 VAL A 89 10.780 5.757 -2.668 1.00 70.15 H new ATOM 0 HG21 VAL A 89 8.391 7.575 -2.986 1.00 23.21 H new ATOM 0 HG22 VAL A 89 9.959 8.162 -2.385 1.00 23.21 H new ATOM 0 HG23 VAL A 89 9.178 8.968 -3.766 1.00 23.21 H new ATOM 1524 N SER A 90 12.431 9.330 -3.267 1.00 54.53 N ATOM 1525 CA SER A 90 13.230 9.889 -2.194 1.00 43.22 C ATOM 1526 C SER A 90 12.556 9.656 -0.839 1.00 33.21 C ATOM 1527 O SER A 90 11.328 9.578 -0.754 1.00 14.10 O ATOM 1528 CB SER A 90 13.413 11.376 -2.467 1.00 70.13 C ATOM 1529 OG SER A 90 13.981 11.560 -3.751 1.00 63.42 O ATOM 0 H SER A 90 11.943 10.035 -3.819 1.00 54.53 H new ATOM 0 HA SER A 90 14.203 9.399 -2.156 1.00 43.22 H new ATOM 0 HB2 SER A 90 12.452 11.887 -2.407 1.00 70.13 H new ATOM 0 HB3 SER A 90 14.057 11.818 -1.707 1.00 70.13 H new ATOM 0 HG SER A 90 14.096 12.518 -3.924 1.00 63.42 H new ATOM 1535 N VAL A 91 13.340 9.570 0.233 1.00 3.40 N ATOM 1536 CA VAL A 91 12.839 9.342 1.588 1.00 65.35 C ATOM 1537 C VAL A 91 12.112 10.591 2.128 1.00 25.20 C ATOM 1538 O VAL A 91 11.034 10.475 2.717 1.00 65.31 O ATOM 1539 CB VAL A 91 14.023 8.860 2.459 1.00 12.32 C ATOM 1540 CG1 VAL A 91 13.646 8.695 3.931 1.00 3.53 C ATOM 1541 CG2 VAL A 91 14.548 7.502 1.964 1.00 52.21 C ATOM 0 H VAL A 91 14.355 9.658 0.185 1.00 3.40 H new ATOM 0 HA VAL A 91 12.079 8.561 1.604 1.00 65.35 H new ATOM 0 HB VAL A 91 14.786 9.633 2.370 1.00 12.32 H new ATOM 0 HG11 VAL A 91 14.516 8.355 4.493 1.00 3.53 H new ATOM 0 HG12 VAL A 91 13.307 9.651 4.329 1.00 3.53 H new ATOM 0 HG13 VAL A 91 12.846 7.961 4.021 1.00 3.53 H new ATOM 0 HG21 VAL A 91 15.380 7.183 2.591 1.00 52.21 H new ATOM 0 HG22 VAL A 91 13.749 6.762 2.017 1.00 52.21 H new ATOM 0 HG23 VAL A 91 14.887 7.597 0.932 1.00 52.21 H new ATOM 1551 N SER A 92 12.638 11.792 1.884 1.00 1.42 N ATOM 1552 CA SER A 92 12.041 13.041 2.353 1.00 10.42 C ATOM 1553 C SER A 92 10.825 13.516 1.554 1.00 42.33 C ATOM 1554 O SER A 92 10.061 14.347 2.043 1.00 2.51 O ATOM 1555 CB SER A 92 13.110 14.136 2.279 1.00 42.51 C ATOM 1556 OG SER A 92 14.145 13.868 3.206 1.00 64.03 O ATOM 0 H SER A 92 13.497 11.925 1.351 1.00 1.42 H new ATOM 0 HA SER A 92 11.687 12.847 3.365 1.00 10.42 H new ATOM 0 HB2 SER A 92 13.519 14.188 1.270 1.00 42.51 H new ATOM 0 HB3 SER A 92 12.663 15.107 2.492 1.00 42.51 H new ATOM 0 HG SER A 92 14.824 14.572 3.150 1.00 64.03 H new ATOM 1562 N THR A 93 10.628 13.018 0.342 1.00 61.21 N ATOM 1563 CA THR A 93 9.534 13.431 -0.524 1.00 5.22 C ATOM 1564 C THR A 93 8.128 13.075 -0.006 1.00 73.44 C ATOM 1565 O THR A 93 7.928 11.977 0.529 1.00 44.24 O ATOM 1566 CB THR A 93 9.863 12.887 -1.924 1.00 72.24 C ATOM 1567 OG1 THR A 93 10.958 13.657 -2.393 1.00 65.35 O ATOM 1568 CG2 THR A 93 8.779 13.048 -2.973 1.00 12.20 C ATOM 0 H THR A 93 11.231 12.307 -0.072 1.00 61.21 H new ATOM 0 HA THR A 93 9.468 14.519 -0.550 1.00 5.22 H new ATOM 0 HB THR A 93 10.030 11.816 -1.805 1.00 72.24 H new ATOM 0 HG1 THR A 93 11.112 13.463 -3.341 1.00 65.35 H new ATOM 0 HG21 THR A 93 9.123 12.629 -3.919 1.00 12.20 H new ATOM 0 HG22 THR A 93 7.879 12.525 -2.650 1.00 12.20 H new ATOM 0 HG23 THR A 93 8.555 14.107 -3.105 1.00 12.20 H new ATOM 1576 N PRO A 94 7.143 13.989 -0.166 1.00 3.53 N ATOM 1577 CA PRO A 94 5.773 13.762 0.254 1.00 64.03 C ATOM 1578 C PRO A 94 5.104 12.781 -0.710 1.00 33.21 C ATOM 1579 O PRO A 94 5.235 12.864 -1.947 1.00 22.20 O ATOM 1580 CB PRO A 94 5.084 15.128 0.242 1.00 33.21 C ATOM 1581 CG PRO A 94 5.825 15.877 -0.858 1.00 70.02 C ATOM 1582 CD PRO A 94 7.246 15.321 -0.759 1.00 52.53 C ATOM 0 HA PRO A 94 5.712 13.324 1.250 1.00 64.03 H new ATOM 0 HB2 PRO A 94 4.020 15.041 0.024 1.00 33.21 H new ATOM 0 HB3 PRO A 94 5.172 15.633 1.204 1.00 33.21 H new ATOM 0 HG2 PRO A 94 5.387 15.691 -1.838 1.00 70.02 H new ATOM 0 HG3 PRO A 94 5.802 16.955 -0.698 1.00 70.02 H new ATOM 0 HD2 PRO A 94 7.710 15.270 -1.744 1.00 52.53 H new ATOM 0 HD3 PRO A 94 7.872 15.969 -0.145 1.00 52.53 H new ATOM 1590 N ILE A 95 4.324 11.871 -0.127 1.00 33.43 N ATOM 1591 CA ILE A 95 3.605 10.866 -0.893 1.00 62.04 C ATOM 1592 C ILE A 95 2.677 11.517 -1.929 1.00 71.41 C ATOM 1593 O ILE A 95 2.311 10.862 -2.898 1.00 2.34 O ATOM 1594 CB ILE A 95 2.979 9.827 0.054 1.00 73.15 C ATOM 1595 CG1 ILE A 95 2.396 8.589 -0.655 1.00 52.55 C ATOM 1596 CG2 ILE A 95 1.917 10.413 0.998 1.00 14.03 C ATOM 1597 CD1 ILE A 95 3.246 7.970 -1.765 1.00 73.43 C ATOM 0 H ILE A 95 4.177 11.813 0.881 1.00 33.43 H new ATOM 0 HA ILE A 95 4.288 10.284 -1.512 1.00 62.04 H new ATOM 0 HB ILE A 95 3.833 9.501 0.648 1.00 73.15 H new ATOM 0 HG12 ILE A 95 2.208 7.823 0.097 1.00 52.55 H new ATOM 0 HG13 ILE A 95 1.430 8.863 -1.079 1.00 52.55 H new ATOM 0 HG21 ILE A 95 1.521 9.622 1.635 1.00 14.03 H new ATOM 0 HG22 ILE A 95 2.369 11.187 1.619 1.00 14.03 H new ATOM 0 HG23 ILE A 95 1.107 10.846 0.411 1.00 14.03 H new ATOM 0 HD11 ILE A 95 2.726 7.108 -2.183 1.00 73.43 H new ATOM 0 HD12 ILE A 95 3.414 8.708 -2.549 1.00 73.43 H new ATOM 0 HD13 ILE A 95 4.204 7.652 -1.355 1.00 73.43 H new ATOM 1609 N SER A 96 2.309 12.791 -1.751 1.00 51.32 N ATOM 1610 CA SER A 96 1.479 13.510 -2.694 1.00 34.42 C ATOM 1611 C SER A 96 2.207 13.580 -4.039 1.00 30.44 C ATOM 1612 O SER A 96 1.650 13.098 -5.019 1.00 41.21 O ATOM 1613 CB SER A 96 1.121 14.885 -2.135 1.00 2.43 C ATOM 1614 OG SER A 96 0.198 15.547 -2.972 1.00 2.51 O ATOM 0 H SER A 96 2.586 13.345 -0.941 1.00 51.32 H new ATOM 0 HA SER A 96 0.535 12.989 -2.855 1.00 34.42 H new ATOM 0 HB2 SER A 96 0.699 14.777 -1.136 1.00 2.43 H new ATOM 0 HB3 SER A 96 2.024 15.487 -2.036 1.00 2.43 H new ATOM 0 HG SER A 96 -0.017 16.424 -2.592 1.00 2.51 H new ATOM 1620 N GLU A 97 3.421 14.146 -4.122 1.00 31.23 N ATOM 1621 CA GLU A 97 4.102 14.203 -5.414 1.00 74.35 C ATOM 1622 C GLU A 97 4.506 12.801 -5.868 1.00 73.34 C ATOM 1623 O GLU A 97 4.535 12.556 -7.081 1.00 50.53 O ATOM 1624 CB GLU A 97 5.253 15.213 -5.467 1.00 44.44 C ATOM 1625 CG GLU A 97 6.569 14.765 -4.819 1.00 14.22 C ATOM 1626 CD GLU A 97 7.725 15.699 -5.190 1.00 14.42 C ATOM 1627 OE1 GLU A 97 7.530 16.934 -5.251 1.00 3.40 O ATOM 1628 OE2 GLU A 97 8.853 15.221 -5.447 1.00 2.20 O ATOM 0 H GLU A 97 3.931 14.555 -3.339 1.00 31.23 H new ATOM 0 HA GLU A 97 3.384 14.592 -6.136 1.00 74.35 H new ATOM 0 HB2 GLU A 97 5.449 15.456 -6.511 1.00 44.44 H new ATOM 0 HB3 GLU A 97 4.926 16.133 -4.982 1.00 44.44 H new ATOM 0 HG2 GLU A 97 6.453 14.741 -3.735 1.00 14.22 H new ATOM 0 HG3 GLU A 97 6.805 13.749 -5.136 1.00 14.22 H new ATOM 1635 N VAL A 98 4.810 11.881 -4.931 1.00 4.43 N ATOM 1636 CA VAL A 98 5.161 10.522 -5.372 1.00 62.41 C ATOM 1637 C VAL A 98 3.975 9.948 -6.163 1.00 31.31 C ATOM 1638 O VAL A 98 4.139 9.399 -7.251 1.00 44.15 O ATOM 1639 CB VAL A 98 5.521 9.611 -4.185 1.00 62.04 C ATOM 1640 CG1 VAL A 98 5.837 8.164 -4.602 1.00 25.34 C ATOM 1641 CG2 VAL A 98 6.720 10.156 -3.411 1.00 21.14 C ATOM 0 H VAL A 98 4.820 12.040 -3.924 1.00 4.43 H new ATOM 0 HA VAL A 98 6.046 10.570 -6.006 1.00 62.41 H new ATOM 0 HB VAL A 98 4.632 9.601 -3.555 1.00 62.04 H new ATOM 0 HG11 VAL A 98 6.083 7.576 -3.718 1.00 25.34 H new ATOM 0 HG12 VAL A 98 4.968 7.730 -5.097 1.00 25.34 H new ATOM 0 HG13 VAL A 98 6.685 8.160 -5.287 1.00 25.34 H new ATOM 0 HG21 VAL A 98 6.949 9.490 -2.579 1.00 21.14 H new ATOM 0 HG22 VAL A 98 7.583 10.219 -4.074 1.00 21.14 H new ATOM 0 HG23 VAL A 98 6.485 11.149 -3.027 1.00 21.14 H new ATOM 1651 N TYR A 99 2.772 10.105 -5.613 1.00 32.01 N ATOM 1652 CA TYR A 99 1.537 9.632 -6.192 1.00 1.40 C ATOM 1653 C TYR A 99 1.306 10.209 -7.572 1.00 42.45 C ATOM 1654 O TYR A 99 1.235 9.442 -8.522 1.00 52.12 O ATOM 1655 CB TYR A 99 0.377 10.017 -5.273 1.00 34.21 C ATOM 1656 CG TYR A 99 -1.016 9.698 -5.780 1.00 2.41 C ATOM 1657 CD1 TYR A 99 -1.294 8.463 -6.390 1.00 44.25 C ATOM 1658 CD2 TYR A 99 -2.038 10.657 -5.653 1.00 13.11 C ATOM 1659 CE1 TYR A 99 -2.578 8.175 -6.868 1.00 34.11 C ATOM 1660 CE2 TYR A 99 -3.325 10.381 -6.142 1.00 22.34 C ATOM 1661 CZ TYR A 99 -3.605 9.139 -6.754 1.00 30.34 C ATOM 1662 OH TYR A 99 -4.837 8.913 -7.285 1.00 61.31 O ATOM 0 H TYR A 99 2.637 10.583 -4.722 1.00 32.01 H new ATOM 0 HA TYR A 99 1.600 8.549 -6.294 1.00 1.40 H new ATOM 0 HB2 TYR A 99 0.517 9.513 -4.316 1.00 34.21 H new ATOM 0 HB3 TYR A 99 0.434 11.088 -5.080 1.00 34.21 H new ATOM 0 HD1 TYR A 99 -0.509 7.728 -6.491 1.00 44.25 H new ATOM 0 HD2 TYR A 99 -1.832 11.606 -5.179 1.00 13.11 H new ATOM 0 HE1 TYR A 99 -2.783 7.217 -7.323 1.00 34.11 H new ATOM 0 HE2 TYR A 99 -4.105 11.122 -6.050 1.00 22.34 H new ATOM 0 HH TYR A 99 -4.855 8.027 -7.704 1.00 61.31 H new ATOM 1672 N GLU A 100 1.183 11.529 -7.707 1.00 41.31 N ATOM 1673 CA GLU A 100 0.922 12.107 -9.020 1.00 3.13 C ATOM 1674 C GLU A 100 2.014 11.858 -10.058 1.00 53.12 C ATOM 1675 O GLU A 100 1.686 11.913 -11.243 1.00 55.24 O ATOM 1676 CB GLU A 100 0.471 13.566 -8.926 1.00 13.54 C ATOM 1677 CG GLU A 100 1.386 14.458 -8.099 1.00 4.22 C ATOM 1678 CD GLU A 100 0.969 15.924 -8.175 1.00 2.43 C ATOM 1679 OE1 GLU A 100 -0.245 16.217 -8.037 1.00 55.13 O ATOM 1680 OE2 GLU A 100 1.852 16.791 -8.355 1.00 33.31 O ATOM 0 H GLU A 100 1.258 12.202 -6.944 1.00 41.31 H new ATOM 0 HA GLU A 100 0.074 11.550 -9.419 1.00 3.13 H new ATOM 0 HB2 GLU A 100 0.398 13.976 -9.933 1.00 13.54 H new ATOM 0 HB3 GLU A 100 -0.530 13.597 -8.496 1.00 13.54 H new ATOM 0 HG2 GLU A 100 1.371 14.129 -7.060 1.00 4.22 H new ATOM 0 HG3 GLU A 100 2.412 14.353 -8.452 1.00 4.22 H new ATOM 1687 N SER A 101 3.263 11.560 -9.678 1.00 14.24 N ATOM 1688 CA SER A 101 4.277 11.293 -10.690 1.00 4.54 C ATOM 1689 C SER A 101 4.255 9.818 -11.127 1.00 53.33 C ATOM 1690 O SER A 101 4.569 9.541 -12.283 1.00 34.02 O ATOM 1691 CB SER A 101 5.663 11.697 -10.182 1.00 12.52 C ATOM 1692 OG SER A 101 6.437 12.312 -11.198 1.00 21.44 O ATOM 0 H SER A 101 3.583 11.500 -8.711 1.00 14.24 H new ATOM 0 HA SER A 101 4.046 11.897 -11.567 1.00 4.54 H new ATOM 0 HB2 SER A 101 5.556 12.382 -9.341 1.00 12.52 H new ATOM 0 HB3 SER A 101 6.185 10.815 -9.811 1.00 12.52 H new ATOM 0 HG SER A 101 7.314 12.558 -10.837 1.00 21.44 H new ATOM 1698 N GLU A 102 3.837 8.878 -10.269 1.00 13.13 N ATOM 1699 CA GLU A 102 3.801 7.441 -10.580 1.00 42.25 C ATOM 1700 C GLU A 102 2.389 6.853 -10.721 1.00 35.43 C ATOM 1701 O GLU A 102 2.262 5.644 -10.910 1.00 14.32 O ATOM 1702 CB GLU A 102 4.617 6.693 -9.506 1.00 33.04 C ATOM 1703 CG GLU A 102 6.136 6.830 -9.704 1.00 11.13 C ATOM 1704 CD GLU A 102 6.642 5.965 -10.860 1.00 53.33 C ATOM 1705 OE1 GLU A 102 6.542 4.719 -10.787 1.00 13.10 O ATOM 1706 OE2 GLU A 102 7.155 6.525 -11.858 1.00 3.33 O ATOM 0 H GLU A 102 3.510 9.096 -9.328 1.00 13.13 H new ATOM 0 HA GLU A 102 4.243 7.309 -11.567 1.00 42.25 H new ATOM 0 HB2 GLU A 102 4.348 7.075 -8.521 1.00 33.04 H new ATOM 0 HB3 GLU A 102 4.347 5.637 -9.522 1.00 33.04 H new ATOM 0 HG2 GLU A 102 6.384 7.874 -9.896 1.00 11.13 H new ATOM 0 HG3 GLU A 102 6.649 6.544 -8.786 1.00 11.13 H new ATOM 1713 N LYS A 103 1.338 7.673 -10.646 1.00 15.51 N ATOM 1714 CA LYS A 103 -0.078 7.305 -10.742 1.00 52.13 C ATOM 1715 C LYS A 103 -0.343 6.331 -11.885 1.00 72.21 C ATOM 1716 O LYS A 103 -0.082 6.657 -13.046 1.00 71.24 O ATOM 1717 CB LYS A 103 -0.897 8.579 -11.041 1.00 12.11 C ATOM 1718 CG LYS A 103 -1.751 9.113 -9.894 1.00 21.34 C ATOM 1719 CD LYS A 103 -2.425 10.417 -10.335 1.00 51.14 C ATOM 1720 CE LYS A 103 -2.689 11.327 -9.136 1.00 2.23 C ATOM 1721 NZ LYS A 103 -2.873 12.721 -9.572 1.00 40.33 N ATOM 0 H LYS A 103 1.460 8.676 -10.508 1.00 15.51 H new ATOM 0 HA LYS A 103 -0.359 6.835 -9.799 1.00 52.13 H new ATOM 0 HB2 LYS A 103 -0.208 9.365 -11.351 1.00 12.11 H new ATOM 0 HB3 LYS A 103 -1.550 8.376 -11.889 1.00 12.11 H new ATOM 0 HG2 LYS A 103 -2.504 8.377 -9.612 1.00 21.34 H new ATOM 0 HG3 LYS A 103 -1.132 9.289 -9.014 1.00 21.34 H new ATOM 0 HD2 LYS A 103 -1.791 10.933 -11.056 1.00 51.14 H new ATOM 0 HD3 LYS A 103 -3.364 10.193 -10.840 1.00 51.14 H new ATOM 0 HE2 LYS A 103 -3.577 10.987 -8.604 1.00 2.23 H new ATOM 0 HE3 LYS A 103 -1.855 11.266 -8.436 1.00 2.23 H new ATOM 0 HZ1 LYS A 103 -3.051 13.323 -8.743 1.00 40.33 H new ATOM 0 HZ2 LYS A 103 -2.015 13.048 -10.060 1.00 40.33 H new ATOM 0 HZ3 LYS A 103 -3.683 12.778 -10.222 1.00 40.33 H new ATOM 1735 N ASP A 104 -0.959 5.200 -11.568 1.00 31.03 N ATOM 1736 CA ASP A 104 -1.305 4.197 -12.561 1.00 72.42 C ATOM 1737 C ASP A 104 -2.475 4.706 -13.403 1.00 34.21 C ATOM 1738 O ASP A 104 -3.168 5.653 -13.002 1.00 33.30 O ATOM 1739 CB ASP A 104 -1.809 2.949 -11.824 1.00 43.44 C ATOM 1740 CG ASP A 104 -1.751 1.712 -12.704 1.00 53.24 C ATOM 1741 OD1 ASP A 104 -2.705 1.503 -13.479 1.00 21.23 O ATOM 1742 OD2 ASP A 104 -0.766 0.949 -12.606 1.00 33.12 O ATOM 0 H ASP A 104 -1.232 4.954 -10.616 1.00 31.03 H new ATOM 0 HA ASP A 104 -0.436 3.984 -13.183 1.00 72.42 H new ATOM 0 HB2 ASP A 104 -1.207 2.787 -10.930 1.00 43.44 H new ATOM 0 HB3 ASP A 104 -2.835 3.112 -11.493 1.00 43.44 H new ATOM 1747 N GLU A 105 -2.722 4.105 -14.567 1.00 41.33 N ATOM 1748 CA GLU A 105 -3.866 4.473 -15.395 1.00 72.34 C ATOM 1749 C GLU A 105 -5.155 4.116 -14.620 1.00 54.12 C ATOM 1750 O GLU A 105 -6.207 4.730 -14.833 1.00 41.12 O ATOM 1751 CB GLU A 105 -3.793 3.817 -16.780 1.00 11.43 C ATOM 1752 CG GLU A 105 -3.819 2.284 -16.737 1.00 44.34 C ATOM 1753 CD GLU A 105 -3.686 1.720 -18.144 1.00 75.01 C ATOM 1754 OE1 GLU A 105 -4.671 1.779 -18.920 1.00 62.43 O ATOM 1755 OE2 GLU A 105 -2.562 1.301 -18.507 1.00 14.20 O ATOM 0 H GLU A 105 -2.143 3.361 -14.956 1.00 41.33 H new ATOM 0 HA GLU A 105 -3.863 5.545 -15.590 1.00 72.34 H new ATOM 0 HB2 GLU A 105 -4.629 4.169 -17.384 1.00 11.43 H new ATOM 0 HB3 GLU A 105 -2.880 4.142 -17.279 1.00 11.43 H new ATOM 0 HG2 GLU A 105 -3.006 1.916 -16.111 1.00 44.34 H new ATOM 0 HG3 GLU A 105 -4.750 1.941 -16.285 1.00 44.34 H new ATOM 1762 N ASP A 106 -5.068 3.176 -13.664 1.00 41.52 N ATOM 1763 CA ASP A 106 -6.185 2.754 -12.820 1.00 12.14 C ATOM 1764 C ASP A 106 -6.520 3.919 -11.877 1.00 72.31 C ATOM 1765 O ASP A 106 -7.667 4.106 -11.468 1.00 31.44 O ATOM 1766 CB ASP A 106 -5.762 1.583 -11.904 1.00 54.25 C ATOM 1767 CG ASP A 106 -6.105 0.172 -12.381 1.00 34.13 C ATOM 1768 OD1 ASP A 106 -5.662 -0.257 -13.466 1.00 11.32 O ATOM 1769 OD2 ASP A 106 -6.724 -0.563 -11.582 1.00 54.44 O ATOM 0 H ASP A 106 -4.200 2.682 -13.457 1.00 41.52 H new ATOM 0 HA ASP A 106 -7.017 2.460 -13.459 1.00 12.14 H new ATOM 0 HB2 ASP A 106 -4.683 1.639 -11.759 1.00 54.25 H new ATOM 0 HB3 ASP A 106 -6.223 1.732 -10.928 1.00 54.25 H new ATOM 1774 N GLY A 107 -5.513 4.729 -11.537 1.00 3.24 N ATOM 1775 CA GLY A 107 -5.572 5.876 -10.641 1.00 63.03 C ATOM 1776 C GLY A 107 -5.006 5.492 -9.273 1.00 63.11 C ATOM 1777 O GLY A 107 -4.754 6.366 -8.439 1.00 74.14 O ATOM 0 H GLY A 107 -4.574 4.587 -11.908 1.00 3.24 H new ATOM 0 HA2 GLY A 107 -5.004 6.706 -11.060 1.00 63.03 H new ATOM 0 HA3 GLY A 107 -6.603 6.215 -10.537 1.00 63.03 H new ATOM 1781 N PHE A 108 -4.854 4.188 -9.013 1.00 33.10 N ATOM 1782 CA PHE A 108 -4.318 3.605 -7.789 1.00 65.41 C ATOM 1783 C PHE A 108 -2.795 3.822 -7.795 1.00 5.42 C ATOM 1784 O PHE A 108 -2.216 4.004 -8.865 1.00 43.52 O ATOM 1785 CB PHE A 108 -4.630 2.091 -7.783 1.00 25.02 C ATOM 1786 CG PHE A 108 -5.084 1.477 -6.466 1.00 14.54 C ATOM 1787 CD1 PHE A 108 -4.690 1.994 -5.219 1.00 30.04 C ATOM 1788 CD2 PHE A 108 -5.917 0.348 -6.494 1.00 30.40 C ATOM 1789 CE1 PHE A 108 -5.148 1.419 -4.022 1.00 65.04 C ATOM 1790 CE2 PHE A 108 -6.382 -0.231 -5.302 1.00 23.13 C ATOM 1791 CZ PHE A 108 -6.006 0.315 -4.066 1.00 4.32 C ATOM 0 H PHE A 108 -5.118 3.476 -9.693 1.00 33.10 H new ATOM 0 HA PHE A 108 -4.760 4.066 -6.906 1.00 65.41 H new ATOM 0 HB2 PHE A 108 -5.404 1.903 -8.527 1.00 25.02 H new ATOM 0 HB3 PHE A 108 -3.736 1.561 -8.112 1.00 25.02 H new ATOM 0 HD1 PHE A 108 -4.026 2.845 -5.181 1.00 30.04 H new ATOM 0 HD2 PHE A 108 -6.204 -0.080 -7.443 1.00 30.40 H new ATOM 0 HE1 PHE A 108 -4.839 1.828 -3.071 1.00 65.04 H new ATOM 0 HE2 PHE A 108 -7.028 -1.096 -5.337 1.00 23.13 H new ATOM 0 HZ PHE A 108 -6.379 -0.117 -3.149 1.00 4.32 H new ATOM 1801 N LEU A 109 -2.134 3.824 -6.632 1.00 22.04 N ATOM 1802 CA LEU A 109 -0.679 3.976 -6.563 1.00 3.44 C ATOM 1803 C LEU A 109 -0.109 2.566 -6.345 1.00 4.31 C ATOM 1804 O LEU A 109 -0.584 1.887 -5.437 1.00 52.33 O ATOM 1805 CB LEU A 109 -0.341 4.933 -5.416 1.00 21.34 C ATOM 1806 CG LEU A 109 1.040 5.575 -5.503 1.00 74.13 C ATOM 1807 CD1 LEU A 109 1.262 6.443 -4.262 1.00 50.25 C ATOM 1808 CD2 LEU A 109 2.247 4.659 -5.702 1.00 31.24 C ATOM 0 H LEU A 109 -2.587 3.722 -5.724 1.00 22.04 H new ATOM 0 HA LEU A 109 -0.248 4.402 -7.469 1.00 3.44 H new ATOM 0 HB2 LEU A 109 -1.092 5.723 -5.387 1.00 21.34 H new ATOM 0 HB3 LEU A 109 -0.414 4.389 -4.474 1.00 21.34 H new ATOM 0 HG LEU A 109 1.003 6.145 -6.431 1.00 74.13 H new ATOM 0 HD11 LEU A 109 2.247 6.907 -4.314 1.00 50.25 H new ATOM 0 HD12 LEU A 109 0.497 7.219 -4.219 1.00 50.25 H new ATOM 0 HD13 LEU A 109 1.200 5.822 -3.368 1.00 50.25 H new ATOM 0 HD21 LEU A 109 3.156 5.259 -5.745 1.00 31.24 H new ATOM 0 HD22 LEU A 109 2.313 3.958 -4.870 1.00 31.24 H new ATOM 0 HD23 LEU A 109 2.134 4.105 -6.634 1.00 31.24 H new ATOM 1820 N TYR A 110 0.878 2.108 -7.114 1.00 45.25 N ATOM 1821 CA TYR A 110 1.472 0.776 -6.994 1.00 53.45 C ATOM 1822 C TYR A 110 2.885 0.765 -6.421 1.00 72.34 C ATOM 1823 O TYR A 110 3.777 1.465 -6.902 1.00 33.34 O ATOM 1824 CB TYR A 110 1.514 0.122 -8.379 1.00 73.22 C ATOM 1825 CG TYR A 110 0.246 -0.629 -8.695 1.00 65.24 C ATOM 1826 CD1 TYR A 110 0.143 -1.980 -8.321 1.00 50.12 C ATOM 1827 CD2 TYR A 110 -0.825 0.018 -9.336 1.00 24.04 C ATOM 1828 CE1 TYR A 110 -1.027 -2.694 -8.613 1.00 43.45 C ATOM 1829 CE2 TYR A 110 -2.003 -0.690 -9.625 1.00 13.50 C ATOM 1830 CZ TYR A 110 -2.102 -2.051 -9.266 1.00 1.50 C ATOM 1831 OH TYR A 110 -3.218 -2.768 -9.544 1.00 52.45 O ATOM 0 H TYR A 110 1.298 2.667 -7.857 1.00 45.25 H new ATOM 0 HA TYR A 110 0.842 0.229 -6.293 1.00 53.45 H new ATOM 0 HB2 TYR A 110 1.678 0.889 -9.136 1.00 73.22 H new ATOM 0 HB3 TYR A 110 2.361 -0.562 -8.430 1.00 73.22 H new ATOM 0 HD1 TYR A 110 0.962 -2.466 -7.811 1.00 50.12 H new ATOM 0 HD2 TYR A 110 -0.742 1.060 -9.606 1.00 24.04 H new ATOM 0 HE1 TYR A 110 -1.107 -3.736 -8.339 1.00 43.45 H new ATOM 0 HE2 TYR A 110 -2.827 -0.196 -10.118 1.00 13.50 H new ATOM 0 HH TYR A 110 -3.712 -2.939 -8.715 1.00 52.45 H new ATOM 1841 N MET A 111 3.123 -0.084 -5.419 1.00 3.44 N ATOM 1842 CA MET A 111 4.426 -0.248 -4.792 1.00 42.43 C ATOM 1843 C MET A 111 4.643 -1.723 -4.463 1.00 14.11 C ATOM 1844 O MET A 111 3.692 -2.474 -4.221 1.00 3.10 O ATOM 1845 CB MET A 111 4.564 0.594 -3.516 1.00 54.12 C ATOM 1846 CG MET A 111 4.441 2.099 -3.758 1.00 10.22 C ATOM 1847 SD MET A 111 4.894 3.091 -2.312 1.00 45.12 S ATOM 1848 CE MET A 111 4.644 4.763 -2.958 1.00 64.14 C ATOM 0 H MET A 111 2.402 -0.684 -5.018 1.00 3.44 H new ATOM 0 HA MET A 111 5.183 0.100 -5.495 1.00 42.43 H new ATOM 0 HB2 MET A 111 3.799 0.286 -2.803 1.00 54.12 H new ATOM 0 HB3 MET A 111 5.530 0.386 -3.057 1.00 54.12 H new ATOM 0 HG2 MET A 111 5.078 2.379 -4.597 1.00 10.22 H new ATOM 0 HG3 MET A 111 3.415 2.332 -4.044 1.00 10.22 H new ATOM 0 HE1 MET A 111 5.268 5.464 -2.404 1.00 64.14 H new ATOM 0 HE2 MET A 111 4.917 4.790 -4.013 1.00 64.14 H new ATOM 0 HE3 MET A 111 3.596 5.043 -2.847 1.00 64.14 H new ATOM 1858 N VAL A 112 5.905 -2.135 -4.444 1.00 23.43 N ATOM 1859 CA VAL A 112 6.348 -3.485 -4.131 1.00 13.20 C ATOM 1860 C VAL A 112 7.504 -3.343 -3.149 1.00 10.44 C ATOM 1861 O VAL A 112 8.286 -2.397 -3.266 1.00 4.11 O ATOM 1862 CB VAL A 112 6.709 -4.313 -5.384 1.00 41.25 C ATOM 1863 CG1 VAL A 112 5.490 -5.050 -5.946 1.00 51.33 C ATOM 1864 CG2 VAL A 112 7.336 -3.494 -6.516 1.00 71.25 C ATOM 0 H VAL A 112 6.681 -1.508 -4.656 1.00 23.43 H new ATOM 0 HA VAL A 112 5.537 -4.057 -3.681 1.00 13.20 H new ATOM 0 HB VAL A 112 7.456 -5.023 -5.029 1.00 41.25 H new ATOM 0 HG11 VAL A 112 5.784 -5.621 -6.827 1.00 51.33 H new ATOM 0 HG12 VAL A 112 5.094 -5.728 -5.190 1.00 51.33 H new ATOM 0 HG13 VAL A 112 4.723 -4.327 -6.222 1.00 51.33 H new ATOM 0 HG21 VAL A 112 7.560 -4.149 -7.358 1.00 71.25 H new ATOM 0 HG22 VAL A 112 6.638 -2.719 -6.834 1.00 71.25 H new ATOM 0 HG23 VAL A 112 8.257 -3.030 -6.163 1.00 71.25 H new ATOM 1874 N TYR A 113 7.645 -4.279 -2.205 1.00 44.55 N ATOM 1875 CA TYR A 113 8.724 -4.169 -1.210 1.00 52.21 C ATOM 1876 C TYR A 113 9.522 -5.464 -0.983 1.00 62.43 C ATOM 1877 O TYR A 113 8.952 -6.558 -1.064 1.00 61.32 O ATOM 1878 CB TYR A 113 8.110 -3.582 0.076 1.00 11.13 C ATOM 1879 CG TYR A 113 7.215 -4.532 0.849 1.00 22.32 C ATOM 1880 CD1 TYR A 113 5.953 -4.913 0.355 1.00 50.42 C ATOM 1881 CD2 TYR A 113 7.680 -5.094 2.047 1.00 23.43 C ATOM 1882 CE1 TYR A 113 5.241 -5.963 0.964 1.00 13.51 C ATOM 1883 CE2 TYR A 113 6.990 -6.160 2.645 1.00 41.25 C ATOM 1884 CZ TYR A 113 5.802 -6.640 2.067 1.00 24.22 C ATOM 1885 OH TYR A 113 5.217 -7.753 2.569 1.00 14.33 O ATOM 0 H TYR A 113 7.047 -5.099 -2.106 1.00 44.55 H new ATOM 0 HA TYR A 113 9.492 -3.497 -1.594 1.00 52.21 H new ATOM 0 HB2 TYR A 113 8.918 -3.254 0.730 1.00 11.13 H new ATOM 0 HB3 TYR A 113 7.533 -2.695 -0.186 1.00 11.13 H new ATOM 0 HD1 TYR A 113 5.530 -4.398 -0.494 1.00 50.42 H new ATOM 0 HD2 TYR A 113 8.574 -4.704 2.512 1.00 23.43 H new ATOM 0 HE1 TYR A 113 4.270 -6.249 0.589 1.00 13.51 H new ATOM 0 HE2 TYR A 113 7.372 -6.611 3.549 1.00 41.25 H new ATOM 0 HH TYR A 113 5.787 -8.135 3.269 1.00 14.33 H new ATOM 1895 N ALA A 114 10.847 -5.335 -0.765 1.00 10.12 N ATOM 1896 CA ALA A 114 11.821 -6.419 -0.508 1.00 12.44 C ATOM 1897 C ALA A 114 13.145 -5.886 0.060 1.00 4.33 C ATOM 1898 O ALA A 114 13.359 -4.677 0.111 1.00 12.11 O ATOM 1899 CB ALA A 114 12.136 -7.150 -1.817 1.00 74.32 C ATOM 0 H ALA A 114 11.293 -4.418 -0.763 1.00 10.12 H new ATOM 0 HA ALA A 114 11.367 -7.088 0.223 1.00 12.44 H new ATOM 0 HB1 ALA A 114 12.854 -7.948 -1.625 1.00 74.32 H new ATOM 0 HB2 ALA A 114 11.220 -7.577 -2.225 1.00 74.32 H new ATOM 0 HB3 ALA A 114 12.559 -6.446 -2.534 1.00 74.32 H new ATOM 1905 N SER A 115 14.060 -6.776 0.463 1.00 32.43 N ATOM 1906 CA SER A 115 15.377 -6.420 0.976 1.00 50.42 C ATOM 1907 C SER A 115 16.321 -6.403 -0.231 1.00 44.51 C ATOM 1908 O SER A 115 17.008 -7.390 -0.506 1.00 25.01 O ATOM 1909 CB SER A 115 15.823 -7.394 2.078 1.00 2.12 C ATOM 1910 OG SER A 115 16.970 -6.930 2.762 1.00 22.04 O ATOM 0 H SER A 115 13.897 -7.783 0.439 1.00 32.43 H new ATOM 0 HA SER A 115 15.374 -5.440 1.454 1.00 50.42 H new ATOM 0 HB2 SER A 115 15.009 -7.534 2.789 1.00 2.12 H new ATOM 0 HB3 SER A 115 16.033 -8.369 1.637 1.00 2.12 H new ATOM 0 HG SER A 115 16.706 -6.257 3.424 1.00 22.04 H new ATOM 1916 N GLN A 116 16.294 -5.329 -1.016 1.00 14.53 N ATOM 1917 CA GLN A 116 17.122 -5.107 -2.195 1.00 62.23 C ATOM 1918 C GLN A 116 16.997 -3.624 -2.509 1.00 71.11 C ATOM 1919 O GLN A 116 15.869 -3.139 -2.550 1.00 54.35 O ATOM 1920 CB GLN A 116 16.568 -5.914 -3.387 1.00 11.52 C ATOM 1921 CG GLN A 116 17.537 -7.001 -3.851 1.00 14.14 C ATOM 1922 CD GLN A 116 16.862 -7.910 -4.868 1.00 14.42 C ATOM 1923 OE1 GLN A 116 16.023 -8.735 -4.501 1.00 45.15 O ATOM 1924 NE2 GLN A 116 17.174 -7.769 -6.141 1.00 14.24 N ATOM 0 H GLN A 116 15.660 -4.550 -0.836 1.00 14.53 H new ATOM 0 HA GLN A 116 18.154 -5.413 -2.021 1.00 62.23 H new ATOM 0 HB2 GLN A 116 15.620 -6.372 -3.104 1.00 11.52 H new ATOM 0 HB3 GLN A 116 16.360 -5.237 -4.216 1.00 11.52 H new ATOM 0 HG2 GLN A 116 18.423 -6.544 -4.293 1.00 14.14 H new ATOM 0 HG3 GLN A 116 17.874 -7.587 -2.996 1.00 14.14 H new ATOM 0 HE21 GLN A 116 17.871 -7.080 -6.422 1.00 14.24 H new ATOM 0 HE22 GLN A 116 16.718 -8.349 -6.845 1.00 14.24 H new ATOM 1933 N GLU A 117 18.101 -2.914 -2.735 1.00 41.33 N ATOM 1934 CA GLU A 117 18.011 -1.488 -3.055 1.00 65.34 C ATOM 1935 C GLU A 117 17.557 -1.323 -4.512 1.00 63.02 C ATOM 1936 O GLU A 117 16.934 -0.318 -4.864 1.00 3.50 O ATOM 1937 CB GLU A 117 19.346 -0.790 -2.754 1.00 32.14 C ATOM 1938 CG GLU A 117 19.232 0.733 -2.912 1.00 23.41 C ATOM 1939 CD GLU A 117 20.459 1.485 -2.402 1.00 30.13 C ATOM 1940 OE1 GLU A 117 21.490 1.513 -3.107 1.00 2.54 O ATOM 1941 OE2 GLU A 117 20.408 2.112 -1.319 1.00 22.42 O ATOM 0 H GLU A 117 19.049 -3.290 -2.704 1.00 41.33 H new ATOM 0 HA GLU A 117 17.264 -1.003 -2.426 1.00 65.34 H new ATOM 0 HB2 GLU A 117 19.662 -1.029 -1.739 1.00 32.14 H new ATOM 0 HB3 GLU A 117 20.116 -1.170 -3.425 1.00 32.14 H new ATOM 0 HG2 GLU A 117 19.079 0.972 -3.964 1.00 23.41 H new ATOM 0 HG3 GLU A 117 18.351 1.082 -2.374 1.00 23.41 H new ATOM 1948 N THR A 118 17.898 -2.298 -5.357 1.00 44.22 N ATOM 1949 CA THR A 118 17.571 -2.383 -6.767 1.00 2.52 C ATOM 1950 C THR A 118 17.369 -3.866 -7.129 1.00 11.13 C ATOM 1951 O THR A 118 17.820 -4.764 -6.401 1.00 22.03 O ATOM 1952 CB THR A 118 18.637 -1.654 -7.600 1.00 74.45 C ATOM 1953 OG1 THR A 118 18.181 -1.594 -8.931 1.00 4.20 O ATOM 1954 CG2 THR A 118 20.024 -2.304 -7.521 1.00 34.02 C ATOM 0 H THR A 118 18.447 -3.099 -5.045 1.00 44.22 H new ATOM 0 HA THR A 118 16.636 -1.873 -6.999 1.00 2.52 H new ATOM 0 HB THR A 118 18.769 -0.653 -7.189 1.00 74.45 H new ATOM 0 HG1 THR A 118 18.845 -1.131 -9.484 1.00 4.20 H new ATOM 0 HG21 THR A 118 20.727 -1.738 -8.132 1.00 34.02 H new ATOM 0 HG22 THR A 118 20.365 -2.308 -6.486 1.00 34.02 H new ATOM 0 HG23 THR A 118 19.967 -3.329 -7.889 1.00 34.02 H new ATOM 1962 N PHE A 119 16.606 -4.123 -8.191 1.00 31.31 N ATOM 1963 CA PHE A 119 16.303 -5.456 -8.695 1.00 4.54 C ATOM 1964 C PHE A 119 17.303 -5.856 -9.766 1.00 44.21 C ATOM 1965 O PHE A 119 17.898 -4.981 -10.431 1.00 71.31 O ATOM 1966 CB PHE A 119 14.867 -5.504 -9.232 1.00 51.22 C ATOM 1967 CG PHE A 119 13.735 -5.370 -8.220 1.00 23.23 C ATOM 1968 CD1 PHE A 119 13.919 -5.617 -6.841 1.00 63.44 C ATOM 1969 CD2 PHE A 119 12.450 -5.036 -8.686 1.00 51.12 C ATOM 1970 CE1 PHE A 119 12.832 -5.539 -5.952 1.00 64.23 C ATOM 1971 CE2 PHE A 119 11.359 -4.973 -7.802 1.00 34.11 C ATOM 1972 CZ PHE A 119 11.549 -5.228 -6.433 1.00 30.30 C ATOM 0 H PHE A 119 16.169 -3.383 -8.740 1.00 31.31 H new ATOM 0 HA PHE A 119 16.384 -6.172 -7.877 1.00 4.54 H new ATOM 0 HB2 PHE A 119 14.756 -4.708 -9.969 1.00 51.22 H new ATOM 0 HB3 PHE A 119 14.736 -6.448 -9.760 1.00 51.22 H new ATOM 0 HD1 PHE A 119 14.901 -5.867 -6.467 1.00 63.44 H new ATOM 0 HD2 PHE A 119 12.300 -4.826 -9.735 1.00 51.12 H new ATOM 0 HE1 PHE A 119 12.984 -5.718 -4.898 1.00 64.23 H new ATOM 0 HE2 PHE A 119 10.375 -4.729 -8.175 1.00 34.11 H new ATOM 0 HZ PHE A 119 10.711 -5.185 -5.753 1.00 30.30 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -12.636 -18.836 15.235 1.00 12.20 N ATOM 1984 CA ASN B 169 -11.288 -19.363 14.968 1.00 25.31 C ATOM 1985 C ASN B 169 -10.416 -18.273 14.378 1.00 41.43 C ATOM 1986 O ASN B 169 -9.665 -17.640 15.115 1.00 73.14 O ATOM 1987 CB ASN B 169 -11.272 -20.653 14.135 1.00 5.01 C ATOM 1988 CG ASN B 169 -9.902 -21.316 14.230 1.00 33.32 C ATOM 1989 OD1 ASN B 169 -9.762 -22.280 14.972 1.00 21.53 O ATOM 1990 ND2 ASN B 169 -8.890 -20.857 13.507 1.00 23.40 N ATOM 0 HA ASN B 169 -10.866 -19.666 15.926 1.00 25.31 H new ATOM 0 HB2 ASN B 169 -12.042 -21.337 14.493 1.00 5.01 H new ATOM 0 HB3 ASN B 169 -11.505 -20.427 13.094 1.00 5.01 H new ATOM 0 HD21 ASN B 169 -7.977 -21.308 13.564 1.00 23.40 H new ATOM 0 HD22 ASN B 169 -9.025 -20.053 12.894 1.00 23.40 H new HETATM 1997 N SEP B 170 -10.506 -18.019 13.072 1.00 33.43 N HETATM 1998 CA SEP B 170 -9.724 -17.007 12.374 1.00 45.33 C HETATM 1999 CB SEP B 170 -9.346 -17.575 11.000 1.00 62.44 C HETATM 2000 OG SEP B 170 -8.753 -18.855 11.212 1.00 51.03 O HETATM 2001 C SEP B 170 -10.513 -15.689 12.349 1.00 63.13 C HETATM 2002 O SEP B 170 -10.880 -15.181 11.292 1.00 43.14 O HETATM 2003 P SEP B 170 -8.162 -19.721 10.003 1.00 63.53 P HETATM 2004 O1P SEP B 170 -7.579 -20.883 10.698 1.00 22.21 O HETATM 2005 O2P SEP B 170 -9.354 -20.053 9.195 1.00 33.50 O HETATM 2006 O3P SEP B 170 -7.199 -18.818 9.345 1.00 44.03 O HETATM 0 HB3 SEP B 170 -10.228 -17.662 10.365 1.00 62.44 H new HETATM 0 HB2 SEP B 170 -8.650 -16.910 10.489 1.00 62.44 H new HETATM 0 HA SEP B 170 -8.788 -16.766 12.878 1.00 45.33 H new HETATM 0 H SEP B 170 -10.703 -18.912 12.621 1.00 33.43 H new HETATM 2011 N SEP B 171 -11.017 -15.306 13.522 1.00 63.35 N HETATM 2012 CA SEP B 171 -11.816 -14.119 13.803 1.00 51.45 C HETATM 2013 CB SEP B 171 -12.351 -14.236 15.249 1.00 11.10 C HETATM 2014 OG SEP B 171 -12.047 -15.508 15.829 1.00 52.42 O HETATM 2015 C SEP B 171 -10.964 -12.858 13.586 1.00 13.42 C HETATM 2016 O SEP B 171 -9.768 -12.874 13.893 1.00 51.01 O HETATM 2017 P SEP B 171 -12.773 -16.026 17.151 1.00 52.34 P HETATM 2018 O1P SEP B 171 -12.812 -14.861 18.051 1.00 22.20 O HETATM 2019 O2P SEP B 171 -14.070 -16.492 16.630 1.00 21.23 O HETATM 2020 O3P SEP B 171 -11.879 -17.126 17.572 1.00 32.30 O HETATM 0 HB3 SEP B 171 -11.918 -13.445 15.861 1.00 11.10 H new HETATM 0 HB2 SEP B 171 -13.431 -14.085 15.250 1.00 11.10 H new HETATM 0 HA SEP B 171 -12.667 -14.041 13.126 1.00 51.45 H new HETATM 0 H SEP B 171 -10.902 -16.024 14.237 1.00 63.35 H new ATOM 2025 N GLY B 172 -11.549 -11.770 13.081 1.00 52.22 N ATOM 2026 CA GLY B 172 -10.866 -10.507 12.809 1.00 54.31 C ATOM 2027 C GLY B 172 -11.834 -9.512 12.167 1.00 73.23 C ATOM 2028 O GLY B 172 -13.015 -9.494 12.520 1.00 12.12 O ATOM 0 H GLY B 172 -12.541 -11.744 12.844 1.00 52.22 H new ATOM 0 HA2 GLY B 172 -10.469 -10.093 13.736 1.00 54.31 H new ATOM 0 HA3 GLY B 172 -10.017 -10.679 12.147 1.00 54.31 H new HETATM 2032 N SEP B 173 -11.347 -8.678 11.246 1.00 70.13 N HETATM 2033 CA SEP B 173 -12.147 -7.683 10.534 1.00 63.53 C HETATM 2034 CB SEP B 173 -11.259 -6.946 9.527 1.00 11.40 C HETATM 2035 OG SEP B 173 -10.258 -6.193 10.203 1.00 52.44 O HETATM 2036 C SEP B 173 -13.330 -8.345 9.821 1.00 12.42 C HETATM 2037 O SEP B 173 -13.227 -9.499 9.404 1.00 34.13 O HETATM 2038 P SEP B 173 -8.704 -6.600 10.146 1.00 24.14 P HETATM 2039 O1P SEP B 173 -8.030 -5.393 10.651 1.00 13.10 O HETATM 2040 O2P SEP B 173 -8.630 -7.775 11.042 1.00 54.01 O HETATM 2041 O3P SEP B 173 -8.426 -6.908 8.734 1.00 30.23 O HETATM 0 HB3 SEP B 173 -10.790 -7.663 8.853 1.00 11.40 H new HETATM 0 HB2 SEP B 173 -11.868 -6.283 8.913 1.00 11.40 H new HETATM 0 HA SEP B 173 -12.548 -6.969 11.253 1.00 63.53 H new HETATM 0 H SEP B 173 -10.356 -8.785 11.030 1.00 70.13 H new HETATM 2046 N SEP B 174 -14.345 -7.553 9.486 1.00 51.41 N HETATM 2047 CA SEP B 174 -15.556 -8.016 8.829 1.00 2.12 C HETATM 2048 CB SEP B 174 -16.723 -7.622 9.745 1.00 10.31 C HETATM 2049 OG SEP B 174 -16.629 -6.227 10.017 1.00 23.35 O HETATM 2050 C SEP B 174 -15.662 -7.440 7.417 1.00 43.22 C HETATM 2051 O SEP B 174 -15.249 -8.080 6.454 1.00 70.34 O HETATM 2052 P SEP B 174 -17.319 -5.562 11.276 1.00 73.21 P HETATM 2053 O1P SEP B 174 -16.300 -5.742 12.324 1.00 64.20 O HETATM 2054 O2P SEP B 174 -17.512 -4.172 10.815 1.00 54.40 O HETATM 2055 O3P SEP B 174 -18.561 -6.327 11.468 1.00 45.34 O HETATM 0 HB3 SEP B 174 -17.675 -7.852 9.267 1.00 10.31 H new HETATM 0 HB2 SEP B 174 -16.686 -8.193 10.673 1.00 10.31 H new HETATM 0 HA SEP B 174 -15.560 -9.097 8.687 1.00 2.12 H new ATOM 2060 N GLU B 175 -16.040 -6.167 7.305 1.00 61.50 N ATOM 2061 CA GLU B 175 -16.229 -5.418 6.075 1.00 63.24 C ATOM 2062 C GLU B 175 -15.124 -4.379 5.966 1.00 70.14 C ATOM 2063 O GLU B 175 -15.282 -3.229 6.390 1.00 34.43 O ATOM 2064 CB GLU B 175 -17.635 -4.786 6.098 1.00 65.53 C ATOM 2065 CG GLU B 175 -18.738 -5.689 5.532 1.00 22.14 C ATOM 2066 CD GLU B 175 -18.557 -7.170 5.858 1.00 50.04 C ATOM 2067 OE1 GLU B 175 -18.955 -7.625 6.946 1.00 44.10 O ATOM 2068 OE2 GLU B 175 -18.047 -7.900 4.975 1.00 33.32 O ATOM 0 H GLU B 175 -16.234 -5.599 8.130 1.00 61.50 H new ATOM 0 HA GLU B 175 -16.168 -6.060 5.196 1.00 63.24 H new ATOM 0 HB2 GLU B 175 -17.887 -4.524 7.126 1.00 65.53 H new ATOM 0 HB3 GLU B 175 -17.613 -3.857 5.528 1.00 65.53 H new ATOM 0 HG2 GLU B 175 -19.700 -5.357 5.921 1.00 22.14 H new ATOM 0 HG3 GLU B 175 -18.773 -5.567 4.449 1.00 22.14 H new ATOM 2075 N ASP B 176 -13.990 -4.789 5.405 1.00 54.03 N ATOM 2076 CA ASP B 176 -12.825 -3.944 5.209 1.00 3.21 C ATOM 2077 C ASP B 176 -12.133 -4.284 3.890 1.00 31.32 C ATOM 2078 O ASP B 176 -12.262 -5.391 3.369 1.00 33.22 O ATOM 2079 CB ASP B 176 -11.858 -4.104 6.396 1.00 61.22 C ATOM 2080 CG ASP B 176 -10.906 -5.291 6.228 1.00 72.44 C ATOM 2081 OD1 ASP B 176 -11.348 -6.459 6.357 1.00 44.43 O ATOM 2082 OD2 ASP B 176 -9.706 -5.029 5.981 1.00 45.35 O ATOM 0 H ASP B 176 -13.857 -5.742 5.067 1.00 54.03 H new ATOM 0 HA ASP B 176 -13.145 -2.903 5.160 1.00 3.21 H new ATOM 0 HB2 ASP B 176 -11.275 -3.190 6.510 1.00 61.22 H new ATOM 0 HB3 ASP B 176 -12.433 -4.232 7.313 1.00 61.22 H new HETATM 2087 N SEP B 177 -11.426 -3.308 3.339 1.00 50.22 N HETATM 2088 CA SEP B 177 -10.652 -3.434 2.116 1.00 3.14 C HETATM 2089 CB SEP B 177 -11.405 -2.999 0.861 1.00 71.32 C HETATM 2090 OG SEP B 177 -12.226 -4.046 0.354 1.00 2.43 O HETATM 2091 C SEP B 177 -9.380 -2.614 2.211 1.00 44.03 C HETATM 2092 O SEP B 177 -8.428 -2.983 1.530 1.00 11.41 O HETATM 2093 P SEP B 177 -13.033 -3.868 -1.009 1.00 25.24 P HETATM 2094 O1P SEP B 177 -14.361 -3.427 -0.552 1.00 3.43 O HETATM 2095 O2P SEP B 177 -12.252 -2.894 -1.790 1.00 23.12 O HETATM 2096 O3P SEP B 177 -13.054 -5.217 -1.624 1.00 2.43 O HETATM 0 HB3 SEP B 177 -12.022 -2.130 1.089 1.00 71.32 H new HETATM 0 HB2 SEP B 177 -10.692 -2.692 0.096 1.00 71.32 H new HETATM 0 HA SEP B 177 -10.434 -4.498 2.020 1.00 3.14 H new ATOM 2101 N PHE B 178 -9.383 -1.476 2.917 1.00 45.45 N ATOM 2102 CA PHE B 178 -8.219 -0.614 3.056 1.00 50.02 C ATOM 2103 C PHE B 178 -7.796 -0.483 4.511 1.00 33.23 C ATOM 2104 O PHE B 178 -8.594 -0.732 5.418 1.00 62.32 O ATOM 2105 CB PHE B 178 -8.523 0.799 2.543 1.00 71.44 C ATOM 2106 CG PHE B 178 -8.695 0.952 1.050 1.00 5.04 C ATOM 2107 CD1 PHE B 178 -9.950 0.709 0.468 1.00 45.24 C ATOM 2108 CD2 PHE B 178 -7.631 1.434 0.260 1.00 10.44 C ATOM 2109 CE1 PHE B 178 -10.144 0.967 -0.896 1.00 34.52 C ATOM 2110 CE2 PHE B 178 -7.836 1.722 -1.099 1.00 24.21 C ATOM 2111 CZ PHE B 178 -9.098 1.505 -1.666 1.00 12.04 C ATOM 0 H PHE B 178 -10.206 -1.131 3.410 1.00 45.45 H new ATOM 0 HA PHE B 178 -7.421 -1.074 2.473 1.00 50.02 H new ATOM 0 HB2 PHE B 178 -9.433 1.150 3.029 1.00 71.44 H new ATOM 0 HB3 PHE B 178 -7.717 1.459 2.863 1.00 71.44 H new ATOM 0 HD1 PHE B 178 -10.762 0.325 1.068 1.00 45.24 H new ATOM 0 HD2 PHE B 178 -6.656 1.582 0.701 1.00 10.44 H new ATOM 0 HE1 PHE B 178 -11.097 0.752 -1.356 1.00 34.52 H new ATOM 0 HE2 PHE B 178 -7.027 2.108 -1.702 1.00 24.21 H new ATOM 0 HZ PHE B 178 -9.269 1.753 -2.703 1.00 12.04 H new ATOM 2121 N VAL B 179 -6.554 -0.026 4.714 1.00 32.50 N ATOM 2122 CA VAL B 179 -5.990 0.203 6.033 1.00 63.53 C ATOM 2123 C VAL B 179 -5.361 1.608 6.107 1.00 11.02 C ATOM 2124 O VAL B 179 -4.368 1.903 5.430 1.00 45.34 O ATOM 2125 CB VAL B 179 -5.154 -1.007 6.485 1.00 2.23 C ATOM 2126 CG1 VAL B 179 -3.846 -1.193 5.720 1.00 63.44 C ATOM 2127 CG2 VAL B 179 -4.878 -0.948 7.990 1.00 71.35 C ATOM 0 H VAL B 179 -5.912 0.195 3.953 1.00 32.50 H new ATOM 0 HA VAL B 179 -6.758 0.247 6.805 1.00 63.53 H new ATOM 0 HB VAL B 179 -5.766 -1.878 6.252 1.00 2.23 H new ATOM 0 HG11 VAL B 179 -3.321 -2.068 6.104 1.00 63.44 H new ATOM 0 HG12 VAL B 179 -4.061 -1.334 4.661 1.00 63.44 H new ATOM 0 HG13 VAL B 179 -3.220 -0.310 5.849 1.00 63.44 H new ATOM 0 HG21 VAL B 179 -4.286 -1.814 8.285 1.00 71.35 H new ATOM 0 HG22 VAL B 179 -4.329 -0.036 8.224 1.00 71.35 H new ATOM 0 HG23 VAL B 179 -5.823 -0.952 8.534 1.00 71.35 H new ATOM 2137 N GLU B 180 -5.954 2.525 6.883 1.00 21.52 N ATOM 2138 CA GLU B 180 -5.440 3.889 7.014 1.00 13.44 C ATOM 2139 C GLU B 180 -4.135 3.893 7.809 1.00 50.42 C ATOM 2140 O GLU B 180 -3.952 3.090 8.733 1.00 50.04 O ATOM 2141 CB GLU B 180 -6.386 4.878 7.723 1.00 13.23 C ATOM 2142 CG GLU B 180 -7.906 4.725 7.622 1.00 64.20 C ATOM 2143 CD GLU B 180 -8.517 5.253 6.328 1.00 44.10 C ATOM 2144 OE1 GLU B 180 -7.978 6.228 5.754 1.00 41.10 O ATOM 2145 OE2 GLU B 180 -9.616 4.776 5.968 1.00 34.24 O ATOM 0 H GLU B 180 -6.795 2.342 7.431 1.00 21.52 H new ATOM 0 HA GLU B 180 -5.312 4.222 5.984 1.00 13.44 H new ATOM 0 HB2 GLU B 180 -6.133 4.858 8.783 1.00 13.23 H new ATOM 0 HB3 GLU B 180 -6.140 5.874 7.355 1.00 13.23 H new ATOM 0 HG2 GLU B 180 -8.158 3.669 7.722 1.00 64.20 H new ATOM 0 HG3 GLU B 180 -8.366 5.244 8.463 1.00 64.20 H new ATOM 2152 N ILE B 181 -3.256 4.848 7.517 1.00 22.11 N ATOM 2153 CA ILE B 181 -1.973 5.011 8.189 1.00 52.03 C ATOM 2154 C ILE B 181 -2.173 5.681 9.541 1.00 32.11 C ATOM 2155 O ILE B 181 -2.663 6.806 9.628 1.00 2.20 O ATOM 2156 CB ILE B 181 -1.042 5.831 7.269 1.00 43.01 C ATOM 2157 CG1 ILE B 181 -0.464 4.949 6.165 1.00 72.42 C ATOM 2158 CG2 ILE B 181 0.103 6.565 7.974 1.00 63.25 C ATOM 2159 CD1 ILE B 181 0.495 3.853 6.623 1.00 74.43 C ATOM 0 H ILE B 181 -3.421 5.545 6.790 1.00 22.11 H new ATOM 0 HA ILE B 181 -1.512 4.042 8.379 1.00 52.03 H new ATOM 0 HB ILE B 181 -1.687 6.608 6.859 1.00 43.01 H new ATOM 0 HG12 ILE B 181 -1.290 4.482 5.629 1.00 72.42 H new ATOM 0 HG13 ILE B 181 0.058 5.587 5.452 1.00 72.42 H new ATOM 0 HG21 ILE B 181 0.695 7.109 7.238 1.00 63.25 H new ATOM 0 HG22 ILE B 181 -0.307 7.267 8.700 1.00 63.25 H new ATOM 0 HG23 ILE B 181 0.737 5.842 8.487 1.00 63.25 H new ATOM 0 HD11 ILE B 181 0.843 3.289 5.758 1.00 74.43 H new ATOM 0 HD12 ILE B 181 1.348 4.304 7.129 1.00 74.43 H new ATOM 0 HD13 ILE B 181 -0.021 3.182 7.310 1.00 74.43 H new ATOM 2171 N ARG B 182 -1.795 4.962 10.592 1.00 12.42 N ATOM 2172 CA ARG B 182 -1.870 5.384 11.978 1.00 64.53 C ATOM 2173 C ARG B 182 -0.685 6.282 12.271 1.00 54.13 C ATOM 2174 O ARG B 182 0.443 5.791 12.375 1.00 21.20 O ATOM 2175 CB ARG B 182 -1.753 4.154 12.871 1.00 51.14 C ATOM 2176 CG ARG B 182 -2.996 3.260 12.837 1.00 2.30 C ATOM 2177 CD ARG B 182 -2.769 1.959 13.607 1.00 12.00 C ATOM 2178 NE ARG B 182 -2.712 2.180 15.063 1.00 31.33 N ATOM 2179 CZ ARG B 182 -2.214 1.353 15.992 1.00 42.35 C ATOM 2180 NH1 ARG B 182 -1.608 0.217 15.662 1.00 1.03 N ATOM 2181 NH2 ARG B 182 -2.307 1.666 17.279 1.00 74.43 N ATOM 0 H ARG B 182 -1.409 4.023 10.491 1.00 12.42 H new ATOM 0 HA ARG B 182 -2.810 5.905 12.160 1.00 64.53 H new ATOM 0 HB2 ARG B 182 -0.886 3.570 12.562 1.00 51.14 H new ATOM 0 HB3 ARG B 182 -1.572 4.474 13.897 1.00 51.14 H new ATOM 0 HG2 ARG B 182 -3.843 3.795 13.266 1.00 2.30 H new ATOM 0 HG3 ARG B 182 -3.254 3.032 11.803 1.00 2.30 H new ATOM 0 HD2 ARG B 182 -3.572 1.258 13.378 1.00 12.00 H new ATOM 0 HD3 ARG B 182 -1.839 1.498 13.274 1.00 12.00 H new ATOM 0 HE ARG B 182 -3.095 3.063 15.402 1.00 31.33 H new ATOM 0 HH11 ARG B 182 -1.513 -0.044 14.681 1.00 1.03 H new ATOM 0 HH12 ARG B 182 -1.238 -0.394 16.390 1.00 1.03 H new ATOM 0 HH21 ARG B 182 -2.758 2.536 17.561 1.00 74.43 H new ATOM 0 HH22 ARG B 182 -1.928 1.036 17.986 1.00 74.43 H new ATOM 2195 N MET B 183 -0.912 7.582 12.363 1.00 21.20 N ATOM 2196 CA MET B 183 0.135 8.530 12.665 1.00 25.52 C ATOM 2197 C MET B 183 0.556 8.262 14.111 1.00 12.21 C ATOM 2198 O MET B 183 -0.266 8.390 15.023 1.00 50.14 O ATOM 2199 CB MET B 183 -0.398 9.941 12.428 1.00 3.30 C ATOM 2200 CG MET B 183 0.702 10.966 12.674 1.00 51.14 C ATOM 2201 SD MET B 183 0.653 12.378 11.549 1.00 65.12 S ATOM 2202 CE MET B 183 2.045 13.272 12.274 1.00 70.22 C ATOM 0 H MET B 183 -1.830 8.005 12.229 1.00 21.20 H new ATOM 0 HA MET B 183 1.013 8.428 12.027 1.00 25.52 H new ATOM 0 HB2 MET B 183 -0.768 10.031 11.407 1.00 3.30 H new ATOM 0 HB3 MET B 183 -1.241 10.135 13.091 1.00 3.30 H new ATOM 0 HG2 MET B 183 0.625 11.328 13.699 1.00 51.14 H new ATOM 0 HG3 MET B 183 1.670 10.474 12.582 1.00 51.14 H new ATOM 0 HE1 MET B 183 2.205 14.201 11.727 1.00 70.22 H new ATOM 0 HE2 MET B 183 1.828 13.498 13.318 1.00 70.22 H new ATOM 0 HE3 MET B 183 2.943 12.657 12.214 1.00 70.22 H new ATOM 2212 N ALA B 184 1.786 7.793 14.318 1.00 24.51 N ATOM 2213 CA ALA B 184 2.314 7.486 15.638 1.00 53.44 C ATOM 2214 C ALA B 184 3.258 8.593 16.059 1.00 25.14 C ATOM 2215 O ALA B 184 4.418 8.626 15.636 1.00 52.21 O ATOM 2216 CB ALA B 184 3.006 6.129 15.675 1.00 62.11 C ATOM 0 H ALA B 184 2.448 7.615 13.562 1.00 24.51 H new ATOM 0 HA ALA B 184 1.484 7.426 16.342 1.00 53.44 H new ATOM 0 HB1 ALA B 184 3.385 5.941 16.680 1.00 62.11 H new ATOM 0 HB2 ALA B 184 2.294 5.350 15.404 1.00 62.11 H new ATOM 0 HB3 ALA B 184 3.835 6.124 14.968 1.00 62.11 H new ATOM 2222 N GLU B 185 2.743 9.504 16.873 1.00 70.33 N ATOM 2223 CA GLU B 185 3.486 10.632 17.391 1.00 70.42 C ATOM 2224 C GLU B 185 4.595 10.161 18.326 1.00 44.22 C ATOM 2225 O GLU B 185 4.515 9.033 18.864 1.00 11.12 O ATOM 2226 CB GLU B 185 2.482 11.563 18.087 1.00 1.41 C ATOM 2227 CG GLU B 185 2.997 12.999 18.056 1.00 14.34 C ATOM 2228 CD GLU B 185 2.015 14.039 18.593 1.00 4.42 C ATOM 2229 OE1 GLU B 185 0.883 13.719 19.024 1.00 1.02 O ATOM 2230 OE2 GLU B 185 2.414 15.229 18.558 1.00 71.42 O ATOM 0 H GLU B 185 1.776 9.474 17.195 1.00 70.33 H new ATOM 0 HA GLU B 185 3.984 11.178 16.590 1.00 70.42 H new ATOM 0 HB2 GLU B 185 1.514 11.504 17.590 1.00 1.41 H new ATOM 0 HB3 GLU B 185 2.331 11.244 19.118 1.00 1.41 H new ATOM 0 HG2 GLU B 185 3.917 13.054 18.637 1.00 14.34 H new ATOM 0 HG3 GLU B 185 3.253 13.257 17.028 1.00 14.34 H new TER 2237 GLU B 185