USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot -64:sc= 0.955 USER MOD Set 1.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 SER OG : rot -120:sc= -0.275! USER MOD Set 2.2: A 88 SER OG : rot -177:sc= 0.597 USER MOD Single : A 4 GLN : amide:sc= 0.652 K(o=0.65,f=-0.69) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.6 (180deg=-0.952) USER MOD Single : A 12 SER OG : rot -39:sc= 0.888 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 32 TYR OH : rot 13:sc= 0.718 USER MOD Single : A 33 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.1) USER MOD Single : A 36 HIS : no HE2:sc= 0.296 K(o=0.3,f=-4.9!) USER MOD Single : A 38 MET CE :methyl -165:sc= -0.567 (180deg=-1.09) USER MOD Single : A 41 MET CE :methyl -161:sc= -0.0668 (180deg=-0.457) USER MOD Single : A 43 MET CE :methyl -111:sc= -0.292 (180deg=-0.517) USER MOD Single : A 53 SER OG : rot -86:sc= 0.879 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 82:sc= 0.235 USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0644) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.22! USER MOD Single : A 65 TYR OH : rot 92:sc= 1.73 USER MOD Single : A 71 GLN : amide:sc= -0.447 K(o=-0.45,f=-2!) USER MOD Single : A 72 THR OG1 : rot 69:sc= 0.998 USER MOD Single : A 73 SER OG : rot 66:sc= 0.645 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -1.17 X(o=-1.2,f=-0.92) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 4 4.569 0.296 11.108 1.00 15.12 N ATOM 50 CA GLN A 4 4.908 -0.365 9.848 1.00 31.45 C ATOM 51 C GLN A 4 4.528 -1.859 9.900 1.00 21.45 C ATOM 52 O GLN A 4 5.043 -2.624 10.716 1.00 63.33 O ATOM 53 CB GLN A 4 6.395 -0.159 9.492 1.00 52.04 C ATOM 54 CG GLN A 4 7.407 -0.945 10.318 1.00 12.25 C ATOM 55 CD GLN A 4 7.339 -0.675 11.815 1.00 2.43 C ATOM 56 OE1 GLN A 4 7.952 0.259 12.323 1.00 25.03 O ATOM 57 NE2 GLN A 4 6.633 -1.519 12.540 1.00 3.03 N ATOM 0 HA GLN A 4 4.325 0.095 9.050 1.00 31.45 H new ATOM 0 HB2 GLN A 4 6.534 -0.420 8.443 1.00 52.04 H new ATOM 0 HB3 GLN A 4 6.625 0.902 9.589 1.00 52.04 H new ATOM 0 HG2 GLN A 4 7.251 -2.010 10.145 1.00 12.25 H new ATOM 0 HG3 GLN A 4 8.410 -0.708 9.963 1.00 12.25 H new ATOM 0 HE21 GLN A 4 6.134 -2.286 12.089 1.00 3.03 H new ATOM 0 HE22 GLN A 4 6.585 -1.406 13.553 1.00 3.03 H new ATOM 66 N SER A 5 3.604 -2.266 9.040 1.00 72.52 N ATOM 67 CA SER A 5 3.046 -3.625 9.097 1.00 2.10 C ATOM 68 C SER A 5 3.757 -4.588 8.146 1.00 3.33 C ATOM 69 O SER A 5 4.069 -4.248 7.007 1.00 3.13 O ATOM 70 CB SER A 5 1.547 -3.603 8.780 1.00 12.24 C ATOM 71 OG SER A 5 0.857 -2.722 9.653 1.00 53.03 O ATOM 0 H SER A 5 3.222 -1.683 8.295 1.00 72.52 H new ATOM 0 HA SER A 5 3.203 -3.987 10.113 1.00 2.10 H new ATOM 0 HB2 SER A 5 1.394 -3.291 7.747 1.00 12.24 H new ATOM 0 HB3 SER A 5 1.137 -4.609 8.873 1.00 12.24 H new ATOM 0 HG SER A 5 0.181 -3.223 10.156 1.00 53.03 H new ATOM 77 N ASP A 6 4.001 -5.797 8.629 1.00 41.51 N ATOM 78 CA ASP A 6 4.630 -6.846 7.831 1.00 4.01 C ATOM 79 C ASP A 6 3.660 -7.402 6.767 1.00 4.12 C ATOM 80 O ASP A 6 2.472 -7.597 7.038 1.00 62.25 O ATOM 81 CB ASP A 6 5.110 -7.960 8.769 1.00 60.34 C ATOM 82 CG ASP A 6 5.579 -9.192 8.030 1.00 52.33 C ATOM 83 OD1 ASP A 6 6.567 -9.101 7.276 1.00 72.22 O ATOM 84 OD2 ASP A 6 4.968 -10.261 8.216 1.00 20.32 O ATOM 0 H ASP A 6 3.771 -6.081 9.581 1.00 41.51 H new ATOM 0 HA ASP A 6 5.482 -6.425 7.296 1.00 4.01 H new ATOM 0 HB2 ASP A 6 5.924 -7.582 9.387 1.00 60.34 H new ATOM 0 HB3 ASP A 6 4.299 -8.234 9.444 1.00 60.34 H new ATOM 89 N ALA A 7 4.175 -7.658 5.561 1.00 65.33 N ATOM 90 CA ALA A 7 3.357 -8.181 4.455 1.00 71.51 C ATOM 91 C ALA A 7 2.649 -9.493 4.835 1.00 4.24 C ATOM 92 O ALA A 7 1.468 -9.687 4.536 1.00 10.50 O ATOM 93 CB ALA A 7 4.223 -8.384 3.217 1.00 22.05 C ATOM 0 H ALA A 7 5.156 -7.512 5.322 1.00 65.33 H new ATOM 0 HA ALA A 7 2.583 -7.445 4.238 1.00 71.51 H new ATOM 0 HB1 ALA A 7 3.610 -8.771 2.403 1.00 22.05 H new ATOM 0 HB2 ALA A 7 4.661 -7.431 2.919 1.00 22.05 H new ATOM 0 HB3 ALA A 7 5.018 -9.095 3.442 1.00 22.05 H new ATOM 99 N HIS A 8 3.379 -10.386 5.503 1.00 25.13 N ATOM 100 CA HIS A 8 2.825 -11.662 5.968 1.00 70.41 C ATOM 101 C HIS A 8 1.691 -11.452 6.989 1.00 72.00 C ATOM 102 O HIS A 8 0.685 -12.167 6.972 1.00 10.21 O ATOM 103 CB HIS A 8 3.958 -12.536 6.535 1.00 24.31 C ATOM 104 CG HIS A 8 3.523 -13.534 7.559 1.00 24.01 C ATOM 105 ND1 HIS A 8 3.032 -14.779 7.242 1.00 22.31 N ATOM 106 CD2 HIS A 8 3.516 -13.462 8.908 1.00 44.44 C ATOM 107 CE1 HIS A 8 2.744 -15.431 8.346 1.00 45.20 C ATOM 108 NE2 HIS A 8 3.028 -14.658 9.374 1.00 50.24 N ATOM 0 H HIS A 8 4.362 -10.250 5.737 1.00 25.13 H new ATOM 0 HA HIS A 8 2.377 -12.182 5.121 1.00 70.41 H new ATOM 0 HB2 HIS A 8 4.437 -13.066 5.711 1.00 24.31 H new ATOM 0 HB3 HIS A 8 4.713 -11.886 6.978 1.00 24.31 H new ATOM 0 HD2 HIS A 8 3.834 -12.622 9.507 1.00 44.44 H new ATOM 0 HE1 HIS A 8 2.342 -16.432 8.401 1.00 45.20 H new ATOM 0 HE2 HIS A 8 2.905 -14.907 10.356 1.00 50.24 H new ATOM 117 N VAL A 9 1.853 -10.473 7.874 1.00 11.43 N ATOM 118 CA VAL A 9 0.794 -10.114 8.825 1.00 12.42 C ATOM 119 C VAL A 9 -0.434 -9.536 8.095 1.00 24.32 C ATOM 120 O VAL A 9 -1.579 -9.822 8.452 1.00 50.22 O ATOM 121 CB VAL A 9 1.306 -9.100 9.880 1.00 11.23 C ATOM 122 CG1 VAL A 9 0.181 -8.663 10.819 1.00 63.51 C ATOM 123 CG2 VAL A 9 2.470 -9.693 10.674 1.00 75.55 C ATOM 0 H VAL A 9 2.702 -9.913 7.956 1.00 11.43 H new ATOM 0 HA VAL A 9 0.497 -11.028 9.339 1.00 12.42 H new ATOM 0 HB VAL A 9 1.662 -8.216 9.351 1.00 11.23 H new ATOM 0 HG11 VAL A 9 0.571 -7.952 11.548 1.00 63.51 H new ATOM 0 HG12 VAL A 9 -0.613 -8.191 10.240 1.00 63.51 H new ATOM 0 HG13 VAL A 9 -0.218 -9.534 11.339 1.00 63.51 H new ATOM 0 HG21 VAL A 9 2.816 -8.967 11.410 1.00 75.55 H new ATOM 0 HG22 VAL A 9 2.139 -10.597 11.185 1.00 75.55 H new ATOM 0 HG23 VAL A 9 3.286 -9.938 9.995 1.00 75.55 H new ATOM 133 N LEU A 10 -0.188 -8.735 7.060 1.00 33.12 N ATOM 134 CA LEU A 10 -1.274 -8.163 6.256 1.00 5.41 C ATOM 135 C LEU A 10 -2.056 -9.257 5.507 1.00 21.14 C ATOM 136 O LEU A 10 -3.289 -9.226 5.458 1.00 62.34 O ATOM 137 CB LEU A 10 -0.724 -7.126 5.259 1.00 60.42 C ATOM 138 CG LEU A 10 -1.778 -6.467 4.349 1.00 54.45 C ATOM 139 CD1 LEU A 10 -2.844 -5.754 5.178 1.00 35.21 C ATOM 140 CD2 LEU A 10 -1.113 -5.501 3.368 1.00 43.41 C ATOM 0 H LEU A 10 0.748 -8.466 6.757 1.00 33.12 H new ATOM 0 HA LEU A 10 -1.961 -7.665 6.940 1.00 5.41 H new ATOM 0 HB2 LEU A 10 -0.211 -6.344 5.819 1.00 60.42 H new ATOM 0 HB3 LEU A 10 0.023 -7.611 4.631 1.00 60.42 H new ATOM 0 HG LEU A 10 -2.270 -7.251 3.774 1.00 54.45 H new ATOM 0 HD11 LEU A 10 -3.577 -5.297 4.513 1.00 35.21 H new ATOM 0 HD12 LEU A 10 -3.343 -6.474 5.827 1.00 35.21 H new ATOM 0 HD13 LEU A 10 -2.375 -4.981 5.787 1.00 35.21 H new ATOM 0 HD21 LEU A 10 -1.874 -5.046 2.734 1.00 43.41 H new ATOM 0 HD22 LEU A 10 -0.589 -4.722 3.923 1.00 43.41 H new ATOM 0 HD23 LEU A 10 -0.401 -6.045 2.747 1.00 43.41 H new ATOM 152 N LYS A 11 -1.341 -10.225 4.933 1.00 50.55 N ATOM 153 CA LYS A 11 -1.985 -11.320 4.197 1.00 43.20 C ATOM 154 C LYS A 11 -2.932 -12.124 5.101 1.00 54.45 C ATOM 155 O LYS A 11 -4.049 -12.461 4.703 1.00 65.24 O ATOM 156 CB LYS A 11 -0.942 -12.256 3.573 1.00 53.22 C ATOM 157 CG LYS A 11 -1.556 -13.288 2.629 1.00 12.13 C ATOM 158 CD LYS A 11 -0.553 -14.348 2.181 1.00 12.42 C ATOM 159 CE LYS A 11 -1.240 -15.454 1.385 1.00 33.43 C ATOM 160 NZ LYS A 11 -0.337 -16.602 1.123 1.00 40.35 N ATOM 0 H LYS A 11 -0.323 -10.276 4.961 1.00 50.55 H new ATOM 0 HA LYS A 11 -2.572 -10.867 3.398 1.00 43.20 H new ATOM 0 HB2 LYS A 11 -0.210 -11.662 3.026 1.00 53.22 H new ATOM 0 HB3 LYS A 11 -0.404 -12.773 4.368 1.00 53.22 H new ATOM 0 HG2 LYS A 11 -2.395 -13.775 3.126 1.00 12.13 H new ATOM 0 HG3 LYS A 11 -1.956 -12.779 1.752 1.00 12.13 H new ATOM 0 HD2 LYS A 11 0.222 -13.885 1.571 1.00 12.42 H new ATOM 0 HD3 LYS A 11 -0.059 -14.777 3.053 1.00 12.42 H new ATOM 0 HE2 LYS A 11 -2.117 -15.801 1.932 1.00 33.43 H new ATOM 0 HE3 LYS A 11 -1.595 -15.050 0.437 1.00 33.43 H new ATOM 0 HZ1 LYS A 11 -0.417 -16.886 0.126 1.00 40.35 H new ATOM 0 HZ2 LYS A 11 0.645 -16.325 1.327 1.00 40.35 H new ATOM 0 HZ3 LYS A 11 -0.605 -17.401 1.733 1.00 40.35 H new ATOM 174 N SER A 12 -2.487 -12.424 6.321 1.00 22.21 N ATOM 175 CA SER A 12 -3.334 -13.149 7.283 1.00 34.42 C ATOM 176 C SER A 12 -4.561 -12.314 7.655 1.00 60.25 C ATOM 177 O SER A 12 -5.620 -12.849 7.957 1.00 63.34 O ATOM 178 CB SER A 12 -2.566 -13.512 8.561 1.00 50.44 C ATOM 179 OG SER A 12 -2.305 -12.362 9.351 1.00 1.34 O ATOM 0 H SER A 12 -1.559 -12.183 6.669 1.00 22.21 H new ATOM 0 HA SER A 12 -3.649 -14.072 6.796 1.00 34.42 H new ATOM 0 HB2 SER A 12 -3.143 -14.232 9.142 1.00 50.44 H new ATOM 0 HB3 SER A 12 -1.625 -13.996 8.297 1.00 50.44 H new ATOM 0 HG SER A 12 -2.071 -11.610 8.767 1.00 1.34 H new ATOM 185 N ARG A 13 -4.414 -10.994 7.639 1.00 15.42 N ATOM 186 CA ARG A 13 -5.549 -10.097 7.868 1.00 25.04 C ATOM 187 C ARG A 13 -6.505 -10.070 6.664 1.00 71.41 C ATOM 188 O ARG A 13 -7.692 -9.797 6.819 1.00 60.22 O ATOM 189 CB ARG A 13 -5.064 -8.685 8.204 1.00 23.20 C ATOM 190 CG ARG A 13 -4.442 -8.579 9.588 1.00 42.32 C ATOM 191 CD ARG A 13 -4.031 -7.150 9.921 1.00 60.41 C ATOM 192 NE ARG A 13 -3.596 -7.022 11.309 1.00 20.20 N ATOM 193 CZ ARG A 13 -3.002 -5.972 11.801 1.00 20.34 C ATOM 194 NH1 ARG A 13 -2.769 -4.941 11.063 1.00 73.12 N ATOM 195 NH2 ARG A 13 -2.662 -5.950 13.046 1.00 72.40 N ATOM 0 H ARG A 13 -3.527 -10.520 7.471 1.00 15.42 H new ATOM 0 HA ARG A 13 -6.106 -10.485 8.721 1.00 25.04 H new ATOM 0 HB2 ARG A 13 -4.332 -8.372 7.459 1.00 23.20 H new ATOM 0 HB3 ARG A 13 -5.904 -7.993 8.136 1.00 23.20 H new ATOM 0 HG2 ARG A 13 -5.153 -8.935 10.333 1.00 42.32 H new ATOM 0 HG3 ARG A 13 -3.569 -9.230 9.644 1.00 42.32 H new ATOM 0 HD2 ARG A 13 -3.224 -6.839 9.257 1.00 60.41 H new ATOM 0 HD3 ARG A 13 -4.870 -6.478 9.739 1.00 60.41 H new ATOM 0 HE ARG A 13 -3.769 -7.808 11.936 1.00 20.20 H new ATOM 0 HH11 ARG A 13 -3.050 -4.941 10.083 1.00 73.12 H new ATOM 0 HH12 ARG A 13 -2.303 -4.125 11.459 1.00 73.12 H new ATOM 0 HH21 ARG A 13 -2.858 -6.754 13.643 1.00 72.40 H new ATOM 0 HH22 ARG A 13 -2.197 -5.129 13.433 1.00 72.40 H new ATOM 209 N LEU A 14 -5.985 -10.338 5.468 1.00 63.44 N ATOM 210 CA LEU A 14 -6.823 -10.458 4.274 1.00 41.41 C ATOM 211 C LEU A 14 -7.647 -11.763 4.318 1.00 4.43 C ATOM 212 O LEU A 14 -8.856 -11.759 4.071 1.00 55.33 O ATOM 213 CB LEU A 14 -5.938 -10.410 3.009 1.00 32.20 C ATOM 214 CG LEU A 14 -6.612 -9.857 1.737 1.00 11.42 C ATOM 215 CD1 LEU A 14 -5.592 -9.694 0.614 1.00 20.10 C ATOM 216 CD2 LEU A 14 -7.769 -10.746 1.279 1.00 4.50 C ATOM 0 H LEU A 14 -4.989 -10.476 5.299 1.00 63.44 H new ATOM 0 HA LEU A 14 -7.522 -9.622 4.245 1.00 41.41 H new ATOM 0 HB2 LEU A 14 -5.060 -9.801 3.226 1.00 32.20 H new ATOM 0 HB3 LEU A 14 -5.582 -11.419 2.799 1.00 32.20 H new ATOM 0 HG LEU A 14 -7.022 -8.878 1.985 1.00 11.42 H new ATOM 0 HD11 LEU A 14 -6.088 -9.303 -0.274 1.00 20.10 H new ATOM 0 HD12 LEU A 14 -4.812 -9.001 0.929 1.00 20.10 H new ATOM 0 HD13 LEU A 14 -5.146 -10.662 0.384 1.00 20.10 H new ATOM 0 HD21 LEU A 14 -8.219 -10.324 0.380 1.00 4.50 H new ATOM 0 HD22 LEU A 14 -7.395 -11.747 1.062 1.00 4.50 H new ATOM 0 HD23 LEU A 14 -8.519 -10.802 2.068 1.00 4.50 H new ATOM 228 N GLU A 15 -6.985 -12.878 4.638 1.00 31.22 N ATOM 229 CA GLU A 15 -7.647 -14.192 4.702 1.00 71.35 C ATOM 230 C GLU A 15 -8.410 -14.394 6.026 1.00 41.13 C ATOM 231 O GLU A 15 -9.598 -14.721 6.033 1.00 43.35 O ATOM 232 CB GLU A 15 -6.610 -15.317 4.549 1.00 65.30 C ATOM 233 CG GLU A 15 -5.784 -15.245 3.268 1.00 44.04 C ATOM 234 CD GLU A 15 -4.767 -16.375 3.175 1.00 64.13 C ATOM 235 OE1 GLU A 15 -5.134 -17.477 2.708 1.00 52.54 O ATOM 236 OE2 GLU A 15 -3.606 -16.178 3.588 1.00 63.22 O ATOM 0 H GLU A 15 -5.989 -12.901 4.858 1.00 31.22 H new ATOM 0 HA GLU A 15 -8.366 -14.226 3.883 1.00 71.35 H new ATOM 0 HB2 GLU A 15 -5.935 -15.290 5.404 1.00 65.30 H new ATOM 0 HB3 GLU A 15 -7.126 -16.277 4.580 1.00 65.30 H new ATOM 0 HG2 GLU A 15 -6.450 -15.286 2.406 1.00 44.04 H new ATOM 0 HG3 GLU A 15 -5.265 -14.287 3.225 1.00 44.04 H new ATOM 243 N TRP A 16 -7.712 -14.195 7.140 1.00 21.12 N ATOM 244 CA TRP A 16 -8.254 -14.467 8.484 1.00 11.31 C ATOM 245 C TRP A 16 -8.874 -13.212 9.128 1.00 4.13 C ATOM 246 O TRP A 16 -9.915 -13.291 9.783 1.00 22.41 O ATOM 247 CB TRP A 16 -7.135 -15.006 9.393 1.00 14.35 C ATOM 248 CG TRP A 16 -6.430 -16.209 8.835 1.00 24.45 C ATOM 249 CD1 TRP A 16 -5.469 -16.227 7.865 1.00 11.35 C ATOM 250 CD2 TRP A 16 -6.626 -17.568 9.228 1.00 33.23 C ATOM 251 NE1 TRP A 16 -5.069 -17.517 7.619 1.00 22.55 N ATOM 252 CE2 TRP A 16 -5.762 -18.360 8.450 1.00 13.44 C ATOM 253 CE3 TRP A 16 -7.451 -18.193 10.165 1.00 35.21 C ATOM 254 CZ2 TRP A 16 -5.704 -19.743 8.579 1.00 44.21 C ATOM 255 CZ3 TRP A 16 -7.393 -19.566 10.293 1.00 4.33 C ATOM 256 CH2 TRP A 16 -6.524 -20.328 9.505 1.00 60.42 C ATOM 0 H TRP A 16 -6.755 -13.841 7.146 1.00 21.12 H new ATOM 0 HA TRP A 16 -9.045 -15.209 8.373 1.00 11.31 H new ATOM 0 HB2 TRP A 16 -6.405 -14.215 9.563 1.00 14.35 H new ATOM 0 HB3 TRP A 16 -7.560 -15.263 10.364 1.00 14.35 H new ATOM 0 HD1 TRP A 16 -5.080 -15.353 7.364 1.00 11.35 H new ATOM 0 HE1 TRP A 16 -4.371 -17.802 6.932 1.00 22.55 H new ATOM 0 HE3 TRP A 16 -8.123 -17.612 10.779 1.00 35.21 H new ATOM 0 HZ2 TRP A 16 -5.036 -20.334 7.970 1.00 44.21 H new ATOM 0 HZ3 TRP A 16 -8.029 -20.060 11.013 1.00 4.33 H new ATOM 0 HH2 TRP A 16 -6.500 -21.400 9.630 1.00 60.42 H new ATOM 267 N GLY A 17 -8.217 -12.065 8.949 1.00 44.31 N ATOM 268 CA GLY A 17 -8.682 -10.810 9.551 1.00 4.12 C ATOM 269 C GLY A 17 -10.000 -10.294 8.961 1.00 71.53 C ATOM 270 O GLY A 17 -11.061 -10.881 9.180 1.00 22.22 O ATOM 0 H GLY A 17 -7.365 -11.977 8.395 1.00 44.31 H new ATOM 0 HA2 GLY A 17 -8.807 -10.957 10.624 1.00 4.12 H new ATOM 0 HA3 GLY A 17 -7.913 -10.048 9.421 1.00 4.12 H new ATOM 274 N GLU A 18 -9.932 -9.183 8.220 1.00 51.15 N ATOM 275 CA GLU A 18 -11.102 -8.608 7.555 1.00 52.34 C ATOM 276 C GLU A 18 -10.703 -7.453 6.612 1.00 45.45 C ATOM 277 O GLU A 18 -9.744 -6.727 6.875 1.00 12.01 O ATOM 278 CB GLU A 18 -12.112 -8.105 8.588 1.00 0.52 C ATOM 279 CG GLU A 18 -11.596 -6.976 9.473 1.00 62.24 C ATOM 280 CD GLU A 18 -12.649 -6.480 10.449 1.00 33.31 C ATOM 281 OE1 GLU A 18 -13.582 -5.769 10.013 1.00 74.02 O ATOM 282 OE2 GLU A 18 -12.565 -6.812 11.648 1.00 63.31 O ATOM 0 H GLU A 18 -9.069 -8.661 8.066 1.00 51.15 H new ATOM 0 HA GLU A 18 -11.560 -9.396 6.957 1.00 52.34 H new ATOM 0 HB2 GLU A 18 -13.006 -7.763 8.067 1.00 0.52 H new ATOM 0 HB3 GLU A 18 -12.412 -8.940 9.222 1.00 0.52 H new ATOM 0 HG2 GLU A 18 -10.724 -7.322 10.028 1.00 62.24 H new ATOM 0 HG3 GLU A 18 -11.266 -6.148 8.846 1.00 62.24 H new ATOM 289 N PRO A 19 -11.446 -7.258 5.504 1.00 64.03 N ATOM 290 CA PRO A 19 -11.145 -6.214 4.498 1.00 64.10 C ATOM 291 C PRO A 19 -11.488 -4.776 4.952 1.00 15.32 C ATOM 292 O PRO A 19 -11.829 -3.921 4.130 1.00 64.14 O ATOM 293 CB PRO A 19 -12.021 -6.623 3.289 1.00 43.45 C ATOM 294 CG PRO A 19 -12.561 -7.980 3.617 1.00 71.21 C ATOM 295 CD PRO A 19 -12.618 -8.049 5.114 1.00 14.12 C ATOM 0 HA PRO A 19 -10.076 -6.171 4.291 1.00 64.10 H new ATOM 0 HB2 PRO A 19 -12.829 -5.908 3.132 1.00 43.45 H new ATOM 0 HB3 PRO A 19 -11.434 -6.647 2.371 1.00 43.45 H new ATOM 0 HG2 PRO A 19 -13.550 -8.123 3.182 1.00 71.21 H new ATOM 0 HG3 PRO A 19 -11.919 -8.764 3.214 1.00 71.21 H new ATOM 0 HD2 PRO A 19 -13.543 -7.627 5.506 1.00 14.12 H new ATOM 0 HD3 PRO A 19 -12.556 -9.075 5.477 1.00 14.12 H new ATOM 303 N ALA A 20 -11.360 -4.494 6.250 1.00 1.21 N ATOM 304 CA ALA A 20 -11.638 -3.152 6.783 1.00 40.31 C ATOM 305 C ALA A 20 -10.482 -2.176 6.492 1.00 52.22 C ATOM 306 O ALA A 20 -10.568 -0.981 6.777 1.00 11.02 O ATOM 307 CB ALA A 20 -11.907 -3.225 8.284 1.00 54.14 C ATOM 0 H ALA A 20 -11.067 -5.173 6.953 1.00 1.21 H new ATOM 0 HA ALA A 20 -12.527 -2.771 6.280 1.00 40.31 H new ATOM 0 HB1 ALA A 20 -12.111 -2.225 8.666 1.00 54.14 H new ATOM 0 HB2 ALA A 20 -12.768 -3.867 8.468 1.00 54.14 H new ATOM 0 HB3 ALA A 20 -11.034 -3.635 8.791 1.00 54.14 H new ATOM 313 N PHE A 21 -9.405 -2.698 5.918 1.00 65.40 N ATOM 314 CA PHE A 21 -8.221 -1.898 5.587 1.00 25.45 C ATOM 315 C PHE A 21 -8.112 -1.621 4.075 1.00 21.53 C ATOM 316 O PHE A 21 -8.722 -2.312 3.255 1.00 21.24 O ATOM 317 CB PHE A 21 -6.955 -2.598 6.100 1.00 32.02 C ATOM 318 CG PHE A 21 -6.861 -4.065 5.743 1.00 53.11 C ATOM 319 CD1 PHE A 21 -6.707 -4.470 4.423 1.00 32.21 C ATOM 320 CD2 PHE A 21 -6.931 -5.039 6.728 1.00 33.31 C ATOM 321 CE1 PHE A 21 -6.626 -5.809 4.097 1.00 50.21 C ATOM 322 CE2 PHE A 21 -6.850 -6.379 6.404 1.00 4.20 C ATOM 323 CZ PHE A 21 -6.699 -6.764 5.088 1.00 35.11 C ATOM 0 H PHE A 21 -9.323 -3.683 5.668 1.00 65.40 H new ATOM 0 HA PHE A 21 -8.325 -0.932 6.082 1.00 25.45 H new ATOM 0 HB2 PHE A 21 -6.082 -2.083 5.699 1.00 32.02 H new ATOM 0 HB3 PHE A 21 -6.914 -2.498 7.185 1.00 32.02 H new ATOM 0 HD1 PHE A 21 -6.650 -3.727 3.641 1.00 32.21 H new ATOM 0 HD2 PHE A 21 -7.050 -4.746 7.761 1.00 33.31 H new ATOM 0 HE1 PHE A 21 -6.506 -6.108 3.066 1.00 50.21 H new ATOM 0 HE2 PHE A 21 -6.905 -7.126 7.182 1.00 4.20 H new ATOM 0 HZ PHE A 21 -6.638 -7.812 4.835 1.00 35.11 H new ATOM 333 N THR A 22 -7.343 -0.593 3.718 1.00 40.12 N ATOM 334 CA THR A 22 -7.137 -0.220 2.308 1.00 32.13 C ATOM 335 C THR A 22 -5.642 -0.179 1.950 1.00 25.53 C ATOM 336 O THR A 22 -4.863 0.511 2.604 1.00 12.22 O ATOM 337 CB THR A 22 -7.759 1.164 1.995 1.00 71.11 C ATOM 338 OG1 THR A 22 -9.151 1.173 2.347 1.00 50.52 O ATOM 339 CG2 THR A 22 -7.608 1.518 0.522 1.00 3.33 C ATOM 0 H THR A 22 -6.849 0.001 4.383 1.00 40.12 H new ATOM 0 HA THR A 22 -7.631 -0.985 1.709 1.00 32.13 H new ATOM 0 HB THR A 22 -7.226 1.908 2.587 1.00 71.11 H new ATOM 0 HG1 THR A 22 -9.533 2.053 2.147 1.00 50.52 H new ATOM 0 HG21 THR A 22 -8.054 2.495 0.335 1.00 3.33 H new ATOM 0 HG22 THR A 22 -6.550 1.547 0.261 1.00 3.33 H new ATOM 0 HG23 THR A 22 -8.111 0.766 -0.086 1.00 3.33 H new ATOM 347 N ILE A 23 -5.245 -0.915 0.910 1.00 4.15 N ATOM 348 CA ILE A 23 -3.840 -0.941 0.467 1.00 3.34 C ATOM 349 C ILE A 23 -3.607 0.038 -0.700 1.00 24.41 C ATOM 350 O ILE A 23 -4.363 0.047 -1.673 1.00 74.33 O ATOM 351 CB ILE A 23 -3.386 -2.367 0.031 1.00 54.42 C ATOM 352 CG1 ILE A 23 -3.472 -3.373 1.198 1.00 71.30 C ATOM 353 CG2 ILE A 23 -1.963 -2.336 -0.533 1.00 44.13 C ATOM 354 CD1 ILE A 23 -4.882 -3.780 1.572 1.00 70.11 C ATOM 0 H ILE A 23 -5.871 -1.501 0.357 1.00 4.15 H new ATOM 0 HA ILE A 23 -3.243 -0.635 1.327 1.00 3.34 H new ATOM 0 HB ILE A 23 -4.069 -2.699 -0.751 1.00 54.42 H new ATOM 0 HG12 ILE A 23 -2.907 -4.267 0.933 1.00 71.30 H new ATOM 0 HG13 ILE A 23 -2.989 -2.938 2.073 1.00 71.30 H new ATOM 0 HG21 ILE A 23 -1.668 -3.342 -0.831 1.00 44.13 H new ATOM 0 HG22 ILE A 23 -1.930 -1.677 -1.400 1.00 44.13 H new ATOM 0 HG23 ILE A 23 -1.277 -1.967 0.230 1.00 44.13 H new ATOM 0 HD11 ILE A 23 -4.849 -4.488 2.400 1.00 70.11 H new ATOM 0 HD12 ILE A 23 -5.448 -2.898 1.871 1.00 70.11 H new ATOM 0 HD13 ILE A 23 -5.365 -4.247 0.714 1.00 70.11 H new ATOM 366 N LEU A 24 -2.554 0.853 -0.606 1.00 34.14 N ATOM 367 CA LEU A 24 -2.246 1.850 -1.645 1.00 54.13 C ATOM 368 C LEU A 24 -0.947 1.521 -2.395 1.00 51.13 C ATOM 369 O LEU A 24 0.108 1.327 -1.782 1.00 64.11 O ATOM 370 CB LEU A 24 -2.137 3.254 -1.033 1.00 4.20 C ATOM 371 CG LEU A 24 -3.381 3.749 -0.281 1.00 2.10 C ATOM 372 CD1 LEU A 24 -3.211 5.209 0.128 1.00 53.41 C ATOM 373 CD2 LEU A 24 -4.639 3.564 -1.125 1.00 25.42 C ATOM 0 H LEU A 24 -1.899 0.846 0.176 1.00 34.14 H new ATOM 0 HA LEU A 24 -3.068 1.823 -2.360 1.00 54.13 H new ATOM 0 HB2 LEU A 24 -1.291 3.267 -0.346 1.00 4.20 H new ATOM 0 HB3 LEU A 24 -1.911 3.962 -1.831 1.00 4.20 H new ATOM 0 HG LEU A 24 -3.494 3.150 0.623 1.00 2.10 H new ATOM 0 HD11 LEU A 24 -4.102 5.544 0.660 1.00 53.41 H new ATOM 0 HD12 LEU A 24 -2.342 5.306 0.779 1.00 53.41 H new ATOM 0 HD13 LEU A 24 -3.068 5.822 -0.762 1.00 53.41 H new ATOM 0 HD21 LEU A 24 -5.506 3.922 -0.570 1.00 25.42 H new ATOM 0 HD22 LEU A 24 -4.542 4.130 -2.051 1.00 25.42 H new ATOM 0 HD23 LEU A 24 -4.769 2.507 -1.358 1.00 25.42 H new ATOM 385 N ASP A 25 -1.036 1.469 -3.724 1.00 64.34 N ATOM 386 CA ASP A 25 0.131 1.242 -4.580 1.00 52.43 C ATOM 387 C ASP A 25 0.819 2.574 -4.909 1.00 52.11 C ATOM 388 O ASP A 25 0.400 3.290 -5.817 1.00 72.40 O ATOM 389 CB ASP A 25 -0.309 0.552 -5.874 1.00 25.21 C ATOM 390 CG ASP A 25 0.848 -0.059 -6.644 1.00 63.44 C ATOM 391 OD1 ASP A 25 1.839 0.648 -6.930 1.00 12.21 O ATOM 392 OD2 ASP A 25 0.769 -1.260 -6.959 1.00 74.14 O ATOM 0 H ASP A 25 -1.911 1.582 -4.235 1.00 64.34 H new ATOM 0 HA ASP A 25 0.839 0.605 -4.051 1.00 52.43 H new ATOM 0 HB2 ASP A 25 -1.032 -0.228 -5.635 1.00 25.21 H new ATOM 0 HB3 ASP A 25 -0.819 1.276 -6.510 1.00 25.21 H new ATOM 397 N VAL A 26 1.879 2.899 -4.177 1.00 42.30 N ATOM 398 CA VAL A 26 2.542 4.199 -4.334 1.00 2.21 C ATOM 399 C VAL A 26 3.750 4.124 -5.274 1.00 73.21 C ATOM 400 O VAL A 26 4.521 5.078 -5.385 1.00 34.23 O ATOM 401 CB VAL A 26 2.972 4.773 -2.962 1.00 1.34 C ATOM 402 CG1 VAL A 26 1.743 5.012 -2.089 1.00 51.10 C ATOM 403 CG2 VAL A 26 3.976 3.849 -2.274 1.00 22.01 C ATOM 0 H VAL A 26 2.298 2.290 -3.474 1.00 42.30 H new ATOM 0 HA VAL A 26 1.811 4.870 -4.786 1.00 2.21 H new ATOM 0 HB VAL A 26 3.470 5.730 -3.121 1.00 1.34 H new ATOM 0 HG11 VAL A 26 2.054 5.416 -1.126 1.00 51.10 H new ATOM 0 HG12 VAL A 26 1.079 5.721 -2.582 1.00 51.10 H new ATOM 0 HG13 VAL A 26 1.217 4.070 -1.935 1.00 51.10 H new ATOM 0 HG21 VAL A 26 4.262 4.275 -1.312 1.00 22.01 H new ATOM 0 HG22 VAL A 26 3.522 2.871 -2.117 1.00 22.01 H new ATOM 0 HG23 VAL A 26 4.861 3.742 -2.901 1.00 22.01 H new ATOM 413 N ARG A 27 3.899 3.000 -5.971 1.00 24.43 N ATOM 414 CA ARG A 27 4.982 2.840 -6.951 1.00 24.40 C ATOM 415 C ARG A 27 4.761 3.771 -8.153 1.00 73.15 C ATOM 416 O ARG A 27 5.504 4.735 -8.354 1.00 65.42 O ATOM 417 CB ARG A 27 5.055 1.387 -7.432 1.00 42.21 C ATOM 418 CG ARG A 27 5.328 0.383 -6.321 1.00 63.35 C ATOM 419 CD ARG A 27 5.240 -1.053 -6.822 1.00 64.01 C ATOM 420 NE ARG A 27 3.905 -1.377 -7.303 1.00 0.41 N ATOM 421 CZ ARG A 27 3.632 -2.398 -8.056 1.00 2.40 C ATOM 422 NH1 ARG A 27 4.555 -3.236 -8.403 1.00 52.11 N ATOM 423 NH2 ARG A 27 2.430 -2.583 -8.463 1.00 31.15 N ATOM 0 H ARG A 27 3.289 2.188 -5.880 1.00 24.43 H new ATOM 0 HA ARG A 27 5.922 3.103 -6.467 1.00 24.40 H new ATOM 0 HB2 ARG A 27 4.115 1.128 -7.919 1.00 42.21 H new ATOM 0 HB3 ARG A 27 5.838 1.303 -8.185 1.00 42.21 H new ATOM 0 HG2 ARG A 27 6.319 0.563 -5.904 1.00 63.35 H new ATOM 0 HG3 ARG A 27 4.611 0.531 -5.513 1.00 63.35 H new ATOM 0 HD2 ARG A 27 5.962 -1.203 -7.625 1.00 64.01 H new ATOM 0 HD3 ARG A 27 5.512 -1.736 -6.017 1.00 64.01 H new ATOM 0 HE ARG A 27 3.137 -0.764 -7.031 1.00 0.41 H new ATOM 0 HH11 ARG A 27 5.514 -3.099 -8.084 1.00 52.11 H new ATOM 0 HH12 ARG A 27 4.323 -4.033 -8.995 1.00 52.11 H new ATOM 0 HH21 ARG A 27 1.694 -1.929 -8.195 1.00 31.15 H new ATOM 0 HH22 ARG A 27 2.210 -3.384 -9.055 1.00 31.15 H new ATOM 437 N ASP A 28 3.719 3.475 -8.928 1.00 64.12 N ATOM 438 CA ASP A 28 3.332 4.281 -10.092 1.00 13.50 C ATOM 439 C ASP A 28 2.085 3.684 -10.755 1.00 33.34 C ATOM 440 O ASP A 28 1.806 2.498 -10.598 1.00 74.33 O ATOM 441 CB ASP A 28 4.472 4.358 -11.122 1.00 63.44 C ATOM 442 CG ASP A 28 4.178 5.350 -12.232 1.00 61.42 C ATOM 443 OD1 ASP A 28 4.274 6.567 -11.985 1.00 4.53 O ATOM 444 OD2 ASP A 28 3.829 4.923 -13.347 1.00 45.13 O ATOM 0 H ASP A 28 3.116 2.668 -8.769 1.00 64.12 H new ATOM 0 HA ASP A 28 3.115 5.290 -9.741 1.00 13.50 H new ATOM 0 HB2 ASP A 28 5.396 4.643 -10.618 1.00 63.44 H new ATOM 0 HB3 ASP A 28 4.636 3.371 -11.554 1.00 63.44 H new ATOM 449 N ARG A 29 1.346 4.501 -11.504 1.00 52.00 N ATOM 450 CA ARG A 29 0.176 4.015 -12.243 1.00 60.31 C ATOM 451 C ARG A 29 0.554 2.847 -13.178 1.00 63.04 C ATOM 452 O ARG A 29 -0.172 1.854 -13.283 1.00 4.54 O ATOM 453 CB ARG A 29 -0.451 5.158 -13.059 1.00 74.41 C ATOM 454 CG ARG A 29 -1.599 4.702 -13.952 1.00 3.43 C ATOM 455 CD ARG A 29 -2.858 4.350 -13.160 1.00 20.33 C ATOM 456 NE ARG A 29 -3.590 5.539 -12.731 1.00 12.22 N ATOM 457 CZ ARG A 29 -4.815 5.525 -12.276 1.00 73.15 C ATOM 458 NH1 ARG A 29 -5.457 4.410 -12.141 1.00 72.41 N ATOM 459 NH2 ARG A 29 -5.399 6.635 -11.963 1.00 12.23 N ATOM 0 H ARG A 29 1.533 5.497 -11.617 1.00 52.00 H new ATOM 0 HA ARG A 29 -0.552 3.651 -11.518 1.00 60.31 H new ATOM 0 HB2 ARG A 29 -0.814 5.926 -12.376 1.00 74.41 H new ATOM 0 HB3 ARG A 29 0.320 5.619 -13.677 1.00 74.41 H new ATOM 0 HG2 ARG A 29 -1.833 5.491 -14.667 1.00 3.43 H new ATOM 0 HG3 ARG A 29 -1.282 3.833 -14.528 1.00 3.43 H new ATOM 0 HD2 ARG A 29 -3.509 3.726 -13.773 1.00 20.33 H new ATOM 0 HD3 ARG A 29 -2.582 3.760 -12.286 1.00 20.33 H new ATOM 0 HE ARG A 29 -3.114 6.439 -12.790 1.00 12.22 H new ATOM 0 HH11 ARG A 29 -5.007 3.529 -12.391 1.00 72.41 H new ATOM 0 HH12 ARG A 29 -6.413 4.412 -11.785 1.00 72.41 H new ATOM 0 HH21 ARG A 29 -4.904 7.520 -12.071 1.00 12.23 H new ATOM 0 HH22 ARG A 29 -6.355 6.626 -11.608 1.00 12.23 H new ATOM 473 N SER A 30 1.707 2.969 -13.838 1.00 74.10 N ATOM 474 CA SER A 30 2.189 1.945 -14.776 1.00 63.52 C ATOM 475 C SER A 30 2.649 0.693 -14.026 1.00 14.03 C ATOM 476 O SER A 30 2.256 -0.425 -14.359 1.00 42.14 O ATOM 477 CB SER A 30 3.357 2.491 -15.610 1.00 33.24 C ATOM 478 OG SER A 30 4.504 2.705 -14.802 1.00 44.11 O ATOM 0 H SER A 30 2.330 3.771 -13.741 1.00 74.10 H new ATOM 0 HA SER A 30 1.362 1.681 -15.436 1.00 63.52 H new ATOM 0 HB2 SER A 30 3.597 1.790 -16.409 1.00 33.24 H new ATOM 0 HB3 SER A 30 3.063 3.427 -16.085 1.00 33.24 H new ATOM 0 HG SER A 30 4.311 3.398 -14.136 1.00 44.11 H new ATOM 484 N THR A 31 3.485 0.896 -13.007 1.00 12.23 N ATOM 485 CA THR A 31 3.991 -0.201 -12.177 1.00 61.44 C ATOM 486 C THR A 31 2.841 -0.944 -11.475 1.00 30.33 C ATOM 487 O THR A 31 2.912 -2.155 -11.244 1.00 34.32 O ATOM 488 CB THR A 31 4.998 0.315 -11.117 1.00 60.15 C ATOM 489 OG1 THR A 31 5.971 1.172 -11.736 1.00 33.11 O ATOM 490 CG2 THR A 31 5.720 -0.841 -10.431 1.00 40.13 C ATOM 0 H THR A 31 3.829 1.817 -12.734 1.00 12.23 H new ATOM 0 HA THR A 31 4.505 -0.895 -12.842 1.00 61.44 H new ATOM 0 HB THR A 31 4.434 0.871 -10.368 1.00 60.15 H new ATOM 0 HG1 THR A 31 6.601 1.494 -11.058 1.00 33.11 H new ATOM 0 HG21 THR A 31 6.419 -0.447 -9.693 1.00 40.13 H new ATOM 0 HG22 THR A 31 4.991 -1.482 -9.934 1.00 40.13 H new ATOM 0 HG23 THR A 31 6.266 -1.421 -11.175 1.00 40.13 H new ATOM 498 N TYR A 32 1.778 -0.208 -11.146 1.00 61.24 N ATOM 499 CA TYR A 32 0.543 -0.806 -10.632 1.00 23.22 C ATOM 500 C TYR A 32 -0.007 -1.830 -11.631 1.00 23.04 C ATOM 501 O TYR A 32 -0.236 -2.992 -11.287 1.00 33.10 O ATOM 502 CB TYR A 32 -0.505 0.289 -10.365 1.00 21.31 C ATOM 503 CG TYR A 32 -1.876 -0.238 -9.966 1.00 41.33 C ATOM 504 CD1 TYR A 32 -2.153 -0.591 -8.651 1.00 34.51 C ATOM 505 CD2 TYR A 32 -2.891 -0.389 -10.911 1.00 3.33 C ATOM 506 CE1 TYR A 32 -3.395 -1.077 -8.288 1.00 55.02 C ATOM 507 CE2 TYR A 32 -4.134 -0.873 -10.554 1.00 73.55 C ATOM 508 CZ TYR A 32 -4.381 -1.217 -9.243 1.00 15.23 C ATOM 509 OH TYR A 32 -5.615 -1.709 -8.888 1.00 15.44 O ATOM 0 H TYR A 32 1.747 0.808 -11.227 1.00 61.24 H new ATOM 0 HA TYR A 32 0.766 -1.316 -9.695 1.00 23.22 H new ATOM 0 HB2 TYR A 32 -0.136 0.943 -9.575 1.00 21.31 H new ATOM 0 HB3 TYR A 32 -0.611 0.900 -11.261 1.00 21.31 H new ATOM 0 HD1 TYR A 32 -1.385 -0.484 -7.900 1.00 34.51 H new ATOM 0 HD2 TYR A 32 -2.701 -0.123 -11.940 1.00 3.33 H new ATOM 0 HE1 TYR A 32 -3.593 -1.346 -7.261 1.00 55.02 H new ATOM 0 HE2 TYR A 32 -4.909 -0.981 -11.299 1.00 73.55 H new ATOM 0 HH TYR A 32 -5.697 -1.713 -7.911 1.00 15.44 H new ATOM 519 N ASN A 33 -0.204 -1.389 -12.870 1.00 12.31 N ATOM 520 CA ASN A 33 -0.674 -2.270 -13.944 1.00 43.42 C ATOM 521 C ASN A 33 0.330 -3.402 -14.218 1.00 10.55 C ATOM 522 O ASN A 33 -0.059 -4.516 -14.547 1.00 64.14 O ATOM 523 CB ASN A 33 -0.928 -1.455 -15.220 1.00 1.44 C ATOM 524 CG ASN A 33 -2.015 -0.409 -15.032 1.00 62.54 C ATOM 525 OD1 ASN A 33 -2.923 -0.578 -14.225 1.00 72.11 O ATOM 526 ND2 ASN A 33 -1.937 0.676 -15.773 1.00 3.22 N ATOM 0 H ASN A 33 -0.046 -0.424 -13.160 1.00 12.31 H new ATOM 0 HA ASN A 33 -1.610 -2.728 -13.623 1.00 43.42 H new ATOM 0 HB2 ASN A 33 -0.004 -0.964 -15.524 1.00 1.44 H new ATOM 0 HB3 ASN A 33 -1.212 -2.129 -16.028 1.00 1.44 H new ATOM 0 HD21 ASN A 33 -2.644 1.406 -15.685 1.00 3.22 H new ATOM 0 HD22 ASN A 33 -1.169 0.787 -16.435 1.00 3.22 H new ATOM 533 N ASP A 34 1.621 -3.108 -14.068 1.00 42.23 N ATOM 534 CA ASP A 34 2.684 -4.102 -14.250 1.00 50.24 C ATOM 535 C ASP A 34 2.498 -5.301 -13.298 1.00 13.41 C ATOM 536 O ASP A 34 2.487 -6.454 -13.730 1.00 62.10 O ATOM 537 CB ASP A 34 4.032 -3.412 -13.992 1.00 40.51 C ATOM 538 CG ASP A 34 5.240 -4.296 -14.245 1.00 71.23 C ATOM 539 OD1 ASP A 34 5.536 -5.166 -13.398 1.00 63.10 O ATOM 540 OD2 ASP A 34 5.914 -4.103 -15.281 1.00 42.42 O ATOM 0 H ASP A 34 1.961 -2.179 -13.818 1.00 42.23 H new ATOM 0 HA ASP A 34 2.648 -4.493 -15.267 1.00 50.24 H new ATOM 0 HB2 ASP A 34 4.103 -2.528 -14.626 1.00 40.51 H new ATOM 0 HB3 ASP A 34 4.059 -3.066 -12.959 1.00 40.51 H new ATOM 545 N GLY A 35 2.290 -5.019 -12.012 1.00 23.31 N ATOM 546 CA GLY A 35 2.036 -6.087 -11.051 1.00 21.45 C ATOM 547 C GLY A 35 1.784 -5.567 -9.645 1.00 31.43 C ATOM 548 O GLY A 35 2.687 -5.030 -9.015 1.00 32.52 O ATOM 0 H GLY A 35 2.292 -4.078 -11.619 1.00 23.31 H new ATOM 0 HA2 GLY A 35 1.173 -6.667 -11.379 1.00 21.45 H new ATOM 0 HA3 GLY A 35 2.889 -6.766 -11.035 1.00 21.45 H new ATOM 552 N HIS A 36 0.563 -5.737 -9.144 1.00 1.52 N ATOM 553 CA HIS A 36 0.159 -5.166 -7.851 1.00 34.51 C ATOM 554 C HIS A 36 -0.541 -6.199 -6.956 1.00 63.23 C ATOM 555 O HIS A 36 -0.946 -7.265 -7.418 1.00 4.34 O ATOM 556 CB HIS A 36 -0.777 -3.969 -8.082 1.00 54.13 C ATOM 557 CG HIS A 36 -2.044 -4.307 -8.823 1.00 25.40 C ATOM 558 ND1 HIS A 36 -2.107 -4.431 -10.193 1.00 53.04 N ATOM 559 CD2 HIS A 36 -3.308 -4.514 -8.379 1.00 53.33 C ATOM 560 CE1 HIS A 36 -3.344 -4.693 -10.561 1.00 30.05 C ATOM 561 NE2 HIS A 36 -4.095 -4.749 -9.480 1.00 23.11 N ATOM 0 H HIS A 36 -0.171 -6.268 -9.613 1.00 1.52 H new ATOM 0 HA HIS A 36 1.065 -4.842 -7.338 1.00 34.51 H new ATOM 0 HB2 HIS A 36 -1.039 -3.536 -7.117 1.00 54.13 H new ATOM 0 HB3 HIS A 36 -0.237 -3.203 -8.639 1.00 54.13 H new ATOM 0 HD1 HIS A 36 -1.314 -4.334 -10.828 1.00 53.04 H new ATOM 0 HD2 HIS A 36 -3.636 -4.497 -7.350 1.00 53.33 H new ATOM 0 HE1 HIS A 36 -3.685 -4.837 -11.576 1.00 30.05 H new ATOM 570 N ILE A 37 -0.692 -5.866 -5.677 1.00 10.14 N ATOM 571 CA ILE A 37 -1.443 -6.709 -4.739 1.00 73.14 C ATOM 572 C ILE A 37 -2.916 -6.820 -5.163 1.00 25.11 C ATOM 573 O ILE A 37 -3.529 -5.831 -5.577 1.00 40.33 O ATOM 574 CB ILE A 37 -1.362 -6.154 -3.292 1.00 62.33 C ATOM 575 CG1 ILE A 37 0.089 -6.197 -2.777 1.00 63.32 C ATOM 576 CG2 ILE A 37 -2.287 -6.932 -2.350 1.00 51.35 C ATOM 577 CD1 ILE A 37 0.267 -5.626 -1.382 1.00 31.02 C ATOM 0 H ILE A 37 -0.305 -5.018 -5.262 1.00 10.14 H new ATOM 0 HA ILE A 37 -0.988 -7.699 -4.759 1.00 73.14 H new ATOM 0 HB ILE A 37 -1.695 -5.116 -3.311 1.00 62.33 H new ATOM 0 HG12 ILE A 37 0.435 -7.231 -2.782 1.00 63.32 H new ATOM 0 HG13 ILE A 37 0.725 -5.645 -3.468 1.00 63.32 H new ATOM 0 HG21 ILE A 37 -2.210 -6.522 -1.343 1.00 51.35 H new ATOM 0 HG22 ILE A 37 -3.316 -6.847 -2.699 1.00 51.35 H new ATOM 0 HG23 ILE A 37 -1.994 -7.982 -2.337 1.00 51.35 H new ATOM 0 HD11 ILE A 37 1.316 -5.693 -1.093 1.00 31.02 H new ATOM 0 HD12 ILE A 37 -0.046 -4.582 -1.374 1.00 31.02 H new ATOM 0 HD13 ILE A 37 -0.341 -6.193 -0.677 1.00 31.02 H new ATOM 589 N MET A 38 -3.476 -8.023 -5.071 1.00 13.33 N ATOM 590 CA MET A 38 -4.870 -8.256 -5.458 1.00 0.35 C ATOM 591 C MET A 38 -5.839 -7.444 -4.582 1.00 44.24 C ATOM 592 O MET A 38 -5.985 -7.708 -3.387 1.00 53.42 O ATOM 593 CB MET A 38 -5.199 -9.754 -5.382 1.00 63.55 C ATOM 594 CG MET A 38 -6.631 -10.100 -5.780 1.00 54.41 C ATOM 595 SD MET A 38 -6.900 -11.877 -5.942 1.00 61.13 S ATOM 596 CE MET A 38 -5.754 -12.268 -7.266 1.00 23.41 C ATOM 0 H MET A 38 -2.989 -8.853 -4.733 1.00 13.33 H new ATOM 0 HA MET A 38 -4.995 -7.920 -6.487 1.00 0.35 H new ATOM 0 HB2 MET A 38 -4.512 -10.299 -6.029 1.00 63.55 H new ATOM 0 HB3 MET A 38 -5.022 -10.102 -4.364 1.00 63.55 H new ATOM 0 HG2 MET A 38 -7.318 -9.699 -5.034 1.00 54.41 H new ATOM 0 HG3 MET A 38 -6.868 -9.613 -6.726 1.00 54.41 H new ATOM 0 HE1 MET A 38 -5.983 -13.256 -7.666 1.00 23.41 H new ATOM 0 HE2 MET A 38 -5.846 -11.525 -8.058 1.00 23.41 H new ATOM 0 HE3 MET A 38 -4.735 -12.261 -6.879 1.00 23.41 H new ATOM 606 N GLY A 39 -6.498 -6.461 -5.190 1.00 1.13 N ATOM 607 CA GLY A 39 -7.409 -5.592 -4.453 1.00 11.41 C ATOM 608 C GLY A 39 -6.734 -4.353 -3.865 1.00 54.33 C ATOM 609 O GLY A 39 -7.229 -3.769 -2.897 1.00 12.41 O ATOM 0 H GLY A 39 -6.419 -6.248 -6.184 1.00 1.13 H new ATOM 0 HA2 GLY A 39 -8.213 -5.276 -5.118 1.00 11.41 H new ATOM 0 HA3 GLY A 39 -7.868 -6.163 -3.646 1.00 11.41 H new ATOM 613 N ALA A 40 -5.598 -3.953 -4.433 1.00 45.15 N ATOM 614 CA ALA A 40 -4.929 -2.707 -4.027 1.00 63.42 C ATOM 615 C ALA A 40 -5.398 -1.520 -4.878 1.00 42.13 C ATOM 616 O ALA A 40 -5.901 -1.696 -5.987 1.00 33.33 O ATOM 617 CB ALA A 40 -3.416 -2.849 -4.121 1.00 20.25 C ATOM 0 H ALA A 40 -5.119 -4.467 -5.173 1.00 45.15 H new ATOM 0 HA ALA A 40 -5.200 -2.514 -2.989 1.00 63.42 H new ATOM 0 HB1 ALA A 40 -2.943 -1.915 -3.816 1.00 20.25 H new ATOM 0 HB2 ALA A 40 -3.085 -3.655 -3.466 1.00 20.25 H new ATOM 0 HB3 ALA A 40 -3.135 -3.079 -5.149 1.00 20.25 H new ATOM 623 N MET A 41 -5.219 -0.312 -4.355 1.00 44.21 N ATOM 624 CA MET A 41 -5.672 0.906 -5.038 1.00 42.13 C ATOM 625 C MET A 41 -4.602 1.476 -5.970 1.00 74.23 C ATOM 626 O MET A 41 -3.411 1.466 -5.655 1.00 52.15 O ATOM 627 CB MET A 41 -6.048 1.969 -4.007 1.00 74.35 C ATOM 628 CG MET A 41 -7.091 1.500 -3.009 1.00 42.43 C ATOM 629 SD MET A 41 -8.719 1.248 -3.743 1.00 5.04 S ATOM 630 CE MET A 41 -9.173 2.936 -4.148 1.00 52.10 C ATOM 0 H MET A 41 -4.763 -0.144 -3.458 1.00 44.21 H new ATOM 0 HA MET A 41 -6.538 0.635 -5.641 1.00 42.13 H new ATOM 0 HB2 MET A 41 -5.151 2.274 -3.468 1.00 74.35 H new ATOM 0 HB3 MET A 41 -6.423 2.851 -4.526 1.00 74.35 H new ATOM 0 HG2 MET A 41 -6.756 0.567 -2.556 1.00 42.43 H new ATOM 0 HG3 MET A 41 -7.172 2.233 -2.207 1.00 42.43 H new ATOM 0 HE1 MET A 41 -10.252 2.999 -4.289 1.00 52.10 H new ATOM 0 HE2 MET A 41 -8.874 3.598 -3.335 1.00 52.10 H new ATOM 0 HE3 MET A 41 -8.669 3.238 -5.066 1.00 52.10 H new ATOM 640 N ALA A 42 -5.045 1.997 -7.109 1.00 41.11 N ATOM 641 CA ALA A 42 -4.145 2.674 -8.045 1.00 14.04 C ATOM 642 C ALA A 42 -3.889 4.106 -7.572 1.00 54.00 C ATOM 643 O ALA A 42 -4.534 5.054 -8.023 1.00 52.41 O ATOM 644 CB ALA A 42 -4.718 2.665 -9.459 1.00 13.45 C ATOM 0 H ALA A 42 -6.019 1.965 -7.409 1.00 41.11 H new ATOM 0 HA ALA A 42 -3.198 2.135 -8.070 1.00 14.04 H new ATOM 0 HB1 ALA A 42 -4.030 3.174 -10.134 1.00 13.45 H new ATOM 0 HB2 ALA A 42 -4.855 1.635 -9.789 1.00 13.45 H new ATOM 0 HB3 ALA A 42 -5.679 3.179 -9.465 1.00 13.45 H new ATOM 650 N MET A 43 -2.969 4.254 -6.632 1.00 20.15 N ATOM 651 CA MET A 43 -2.734 5.539 -5.983 1.00 44.22 C ATOM 652 C MET A 43 -1.232 5.850 -5.940 1.00 13.12 C ATOM 653 O MET A 43 -0.576 5.674 -4.912 1.00 21.44 O ATOM 654 CB MET A 43 -3.343 5.499 -4.568 1.00 30.25 C ATOM 655 CG MET A 43 -3.761 6.857 -4.042 1.00 43.11 C ATOM 656 SD MET A 43 -4.623 6.775 -2.463 1.00 22.43 S ATOM 657 CE MET A 43 -6.211 6.134 -2.989 1.00 5.01 C ATOM 0 H MET A 43 -2.370 3.499 -6.299 1.00 20.15 H new ATOM 0 HA MET A 43 -3.213 6.337 -6.551 1.00 44.22 H new ATOM 0 HB2 MET A 43 -4.211 4.840 -4.575 1.00 30.25 H new ATOM 0 HB3 MET A 43 -2.617 5.062 -3.882 1.00 30.25 H new ATOM 0 HG2 MET A 43 -2.877 7.485 -3.933 1.00 43.11 H new ATOM 0 HG3 MET A 43 -4.406 7.340 -4.776 1.00 43.11 H new ATOM 0 HE1 MET A 43 -6.971 6.907 -2.875 1.00 5.01 H new ATOM 0 HE2 MET A 43 -6.153 5.833 -4.035 1.00 5.01 H new ATOM 0 HE3 MET A 43 -6.476 5.272 -2.377 1.00 5.01 H new ATOM 667 N PRO A 44 -0.672 6.331 -7.067 1.00 21.42 N ATOM 668 CA PRO A 44 0.781 6.524 -7.212 1.00 74.03 C ATOM 669 C PRO A 44 1.307 7.665 -6.327 1.00 23.13 C ATOM 670 O PRO A 44 0.632 8.676 -6.138 1.00 20.53 O ATOM 671 CB PRO A 44 0.938 6.846 -8.708 1.00 14.10 C ATOM 672 CG PRO A 44 -0.359 7.468 -9.091 1.00 44.03 C ATOM 673 CD PRO A 44 -1.413 6.767 -8.269 1.00 70.35 C ATOM 0 HA PRO A 44 1.356 5.654 -6.896 1.00 74.03 H new ATOM 0 HB2 PRO A 44 1.772 7.526 -8.883 1.00 14.10 H new ATOM 0 HB3 PRO A 44 1.134 5.945 -9.290 1.00 14.10 H new ATOM 0 HG2 PRO A 44 -0.354 8.539 -8.888 1.00 44.03 H new ATOM 0 HG3 PRO A 44 -0.551 7.347 -10.157 1.00 44.03 H new ATOM 0 HD2 PRO A 44 -2.235 7.436 -8.014 1.00 70.35 H new ATOM 0 HD3 PRO A 44 -1.844 5.921 -8.805 1.00 70.35 H new ATOM 681 N ILE A 45 2.527 7.508 -5.808 1.00 13.00 N ATOM 682 CA ILE A 45 3.084 8.432 -4.807 1.00 34.45 C ATOM 683 C ILE A 45 3.045 9.906 -5.268 1.00 35.23 C ATOM 684 O ILE A 45 2.929 10.822 -4.451 1.00 1.32 O ATOM 685 CB ILE A 45 4.537 8.027 -4.436 1.00 55.02 C ATOM 686 CG1 ILE A 45 5.014 8.763 -3.171 1.00 13.34 C ATOM 687 CG2 ILE A 45 5.495 8.286 -5.602 1.00 11.53 C ATOM 688 CD1 ILE A 45 6.357 8.280 -2.660 1.00 61.42 C ATOM 0 H ILE A 45 3.154 6.746 -6.064 1.00 13.00 H new ATOM 0 HA ILE A 45 2.449 8.354 -3.924 1.00 34.45 H new ATOM 0 HB ILE A 45 4.537 6.957 -4.226 1.00 55.02 H new ATOM 0 HG12 ILE A 45 5.078 9.830 -3.384 1.00 13.34 H new ATOM 0 HG13 ILE A 45 4.269 8.638 -2.385 1.00 13.34 H new ATOM 0 HG21 ILE A 45 6.505 7.994 -5.315 1.00 11.53 H new ATOM 0 HG22 ILE A 45 5.181 7.703 -6.468 1.00 11.53 H new ATOM 0 HG23 ILE A 45 5.482 9.346 -5.855 1.00 11.53 H new ATOM 0 HD11 ILE A 45 6.630 8.842 -1.767 1.00 61.42 H new ATOM 0 HD12 ILE A 45 6.293 7.220 -2.416 1.00 61.42 H new ATOM 0 HD13 ILE A 45 7.114 8.430 -3.429 1.00 61.42 H new ATOM 700 N GLU A 46 3.108 10.126 -6.580 1.00 41.41 N ATOM 701 CA GLU A 46 3.092 11.485 -7.138 1.00 42.12 C ATOM 702 C GLU A 46 1.703 12.132 -7.027 1.00 73.13 C ATOM 703 O GLU A 46 1.579 13.355 -6.949 1.00 63.44 O ATOM 704 CB GLU A 46 3.533 11.465 -8.606 1.00 44.23 C ATOM 705 CG GLU A 46 4.739 10.573 -8.866 1.00 24.31 C ATOM 706 CD GLU A 46 5.441 10.895 -10.173 1.00 5.53 C ATOM 707 OE1 GLU A 46 6.324 11.778 -10.169 1.00 21.45 O ATOM 708 OE2 GLU A 46 5.116 10.274 -11.206 1.00 25.51 O ATOM 0 H GLU A 46 3.171 9.385 -7.278 1.00 41.41 H new ATOM 0 HA GLU A 46 3.792 12.082 -6.554 1.00 42.12 H new ATOM 0 HB2 GLU A 46 2.701 11.126 -9.223 1.00 44.23 H new ATOM 0 HB3 GLU A 46 3.769 12.482 -8.920 1.00 44.23 H new ATOM 0 HG2 GLU A 46 5.447 10.679 -8.044 1.00 24.31 H new ATOM 0 HG3 GLU A 46 4.418 9.531 -8.879 1.00 24.31 H new ATOM 715 N ASP A 47 0.660 11.305 -7.029 1.00 62.25 N ATOM 716 CA ASP A 47 -0.721 11.798 -6.942 1.00 50.32 C ATOM 717 C ASP A 47 -1.375 11.376 -5.619 1.00 25.11 C ATOM 718 O ASP A 47 -2.546 11.658 -5.379 1.00 1.11 O ATOM 719 CB ASP A 47 -1.552 11.260 -8.122 1.00 22.21 C ATOM 720 CG ASP A 47 -2.447 12.330 -8.722 1.00 73.03 C ATOM 721 OD1 ASP A 47 -3.569 12.526 -8.223 1.00 54.53 O ATOM 722 OD2 ASP A 47 -2.014 12.995 -9.685 1.00 51.41 O ATOM 0 H ASP A 47 0.740 10.290 -7.090 1.00 62.25 H new ATOM 0 HA ASP A 47 -0.692 12.887 -6.983 1.00 50.32 H new ATOM 0 HB2 ASP A 47 -0.883 10.874 -8.891 1.00 22.21 H new ATOM 0 HB3 ASP A 47 -2.164 10.424 -7.783 1.00 22.21 H new ATOM 727 N LEU A 48 -0.601 10.713 -4.768 1.00 70.05 N ATOM 728 CA LEU A 48 -1.114 10.096 -3.539 1.00 44.22 C ATOM 729 C LEU A 48 -2.014 11.036 -2.719 1.00 3.31 C ATOM 730 O LEU A 48 -3.149 10.687 -2.398 1.00 53.22 O ATOM 731 CB LEU A 48 0.064 9.615 -2.683 1.00 53.13 C ATOM 732 CG LEU A 48 -0.312 8.882 -1.387 1.00 73.44 C ATOM 733 CD1 LEU A 48 -1.072 7.594 -1.694 1.00 45.33 C ATOM 734 CD2 LEU A 48 0.935 8.594 -0.558 1.00 2.02 C ATOM 0 H LEU A 48 0.401 10.585 -4.906 1.00 70.05 H new ATOM 0 HA LEU A 48 -1.739 9.254 -3.837 1.00 44.22 H new ATOM 0 HB2 LEU A 48 0.682 8.952 -3.288 1.00 53.13 H new ATOM 0 HB3 LEU A 48 0.679 10.478 -2.426 1.00 53.13 H new ATOM 0 HG LEU A 48 -0.969 9.528 -0.804 1.00 73.44 H new ATOM 0 HD11 LEU A 48 -1.328 7.091 -0.761 1.00 45.33 H new ATOM 0 HD12 LEU A 48 -1.985 7.832 -2.241 1.00 45.33 H new ATOM 0 HD13 LEU A 48 -0.447 6.938 -2.300 1.00 45.33 H new ATOM 0 HD21 LEU A 48 0.651 8.074 0.357 1.00 2.02 H new ATOM 0 HD22 LEU A 48 1.618 7.969 -1.133 1.00 2.02 H new ATOM 0 HD23 LEU A 48 1.428 9.532 -0.304 1.00 2.02 H new ATOM 746 N VAL A 49 -1.511 12.221 -2.383 1.00 62.52 N ATOM 747 CA VAL A 49 -2.287 13.193 -1.595 1.00 22.25 C ATOM 748 C VAL A 49 -3.648 13.505 -2.248 1.00 52.42 C ATOM 749 O VAL A 49 -4.693 13.454 -1.594 1.00 13.03 O ATOM 750 CB VAL A 49 -1.498 14.515 -1.398 1.00 52.30 C ATOM 751 CG1 VAL A 49 -2.325 15.541 -0.620 1.00 23.34 C ATOM 752 CG2 VAL A 49 -0.170 14.243 -0.693 1.00 0.42 C ATOM 0 H VAL A 49 -0.575 12.536 -2.639 1.00 62.52 H new ATOM 0 HA VAL A 49 -2.465 12.733 -0.623 1.00 22.25 H new ATOM 0 HB VAL A 49 -1.288 14.934 -2.382 1.00 52.30 H new ATOM 0 HG11 VAL A 49 -1.747 16.457 -0.497 1.00 23.34 H new ATOM 0 HG12 VAL A 49 -3.241 15.761 -1.168 1.00 23.34 H new ATOM 0 HG13 VAL A 49 -2.577 15.137 0.360 1.00 23.34 H new ATOM 0 HG21 VAL A 49 0.371 15.180 -0.562 1.00 0.42 H new ATOM 0 HG22 VAL A 49 -0.361 13.795 0.282 1.00 0.42 H new ATOM 0 HG23 VAL A 49 0.428 13.559 -1.295 1.00 0.42 H new ATOM 762 N ASP A 50 -3.624 13.810 -3.543 1.00 63.34 N ATOM 763 CA ASP A 50 -4.839 14.154 -4.294 1.00 64.11 C ATOM 764 C ASP A 50 -5.797 12.955 -4.408 1.00 41.13 C ATOM 765 O ASP A 50 -6.992 13.068 -4.120 1.00 72.21 O ATOM 766 CB ASP A 50 -4.459 14.649 -5.690 1.00 22.44 C ATOM 767 CG ASP A 50 -3.430 15.761 -5.640 1.00 71.11 C ATOM 768 OD1 ASP A 50 -2.217 15.458 -5.649 1.00 53.45 O ATOM 769 OD2 ASP A 50 -3.824 16.946 -5.589 1.00 43.21 O ATOM 0 H ASP A 50 -2.771 13.827 -4.102 1.00 63.34 H new ATOM 0 HA ASP A 50 -5.357 14.943 -3.749 1.00 64.11 H new ATOM 0 HB2 ASP A 50 -4.065 13.817 -6.274 1.00 22.44 H new ATOM 0 HB3 ASP A 50 -5.352 15.005 -6.204 1.00 22.44 H new ATOM 774 N ARG A 51 -5.262 11.816 -4.839 1.00 32.02 N ATOM 775 CA ARG A 51 -6.036 10.575 -4.968 1.00 45.21 C ATOM 776 C ARG A 51 -6.688 10.166 -3.637 1.00 0.35 C ATOM 777 O ARG A 51 -7.901 9.959 -3.559 1.00 1.42 O ATOM 778 CB ARG A 51 -5.125 9.435 -5.444 1.00 41.41 C ATOM 779 CG ARG A 51 -4.517 9.633 -6.828 1.00 4.14 C ATOM 780 CD ARG A 51 -5.581 9.631 -7.911 1.00 72.33 C ATOM 781 NE ARG A 51 -5.031 9.949 -9.228 1.00 32.14 N ATOM 782 CZ ARG A 51 -5.538 10.838 -10.042 1.00 41.01 C ATOM 783 NH1 ARG A 51 -6.592 11.513 -9.712 1.00 22.20 N ATOM 784 NH2 ARG A 51 -4.977 11.061 -11.184 1.00 34.30 N ATOM 0 H ARG A 51 -4.283 11.722 -5.109 1.00 32.02 H new ATOM 0 HA ARG A 51 -6.825 10.760 -5.697 1.00 45.21 H new ATOM 0 HB2 ARG A 51 -4.317 9.310 -4.723 1.00 41.41 H new ATOM 0 HB3 ARG A 51 -5.698 8.508 -5.444 1.00 41.41 H new ATOM 0 HG2 ARG A 51 -3.971 10.576 -6.855 1.00 4.14 H new ATOM 0 HG3 ARG A 51 -3.794 8.841 -7.025 1.00 4.14 H new ATOM 0 HD2 ARG A 51 -6.059 8.652 -7.946 1.00 72.33 H new ATOM 0 HD3 ARG A 51 -6.355 10.355 -7.658 1.00 72.33 H new ATOM 0 HE ARG A 51 -4.198 9.445 -9.531 1.00 32.14 H new ATOM 0 HH11 ARG A 51 -7.037 11.354 -8.808 1.00 22.20 H new ATOM 0 HH12 ARG A 51 -6.978 12.204 -10.356 1.00 22.20 H new ATOM 0 HH21 ARG A 51 -4.139 10.544 -11.450 1.00 34.30 H new ATOM 0 HH22 ARG A 51 -5.372 11.754 -11.819 1.00 34.30 H new ATOM 798 N ALA A 52 -5.865 10.048 -2.599 1.00 22.24 N ATOM 799 CA ALA A 52 -6.320 9.610 -1.278 1.00 30.21 C ATOM 800 C ALA A 52 -7.386 10.550 -0.693 1.00 40.11 C ATOM 801 O ALA A 52 -8.442 10.103 -0.255 1.00 54.33 O ATOM 802 CB ALA A 52 -5.132 9.489 -0.331 1.00 22.24 C ATOM 0 H ALA A 52 -4.867 10.252 -2.647 1.00 22.24 H new ATOM 0 HA ALA A 52 -6.787 8.632 -1.395 1.00 30.21 H new ATOM 0 HB1 ALA A 52 -5.480 9.163 0.649 1.00 22.24 H new ATOM 0 HB2 ALA A 52 -4.424 8.760 -0.726 1.00 22.24 H new ATOM 0 HB3 ALA A 52 -4.641 10.458 -0.238 1.00 22.24 H new ATOM 808 N SER A 53 -7.115 11.854 -0.697 1.00 2.31 N ATOM 809 CA SER A 53 -8.082 12.841 -0.182 1.00 73.15 C ATOM 810 C SER A 53 -9.424 12.764 -0.930 1.00 44.24 C ATOM 811 O SER A 53 -10.474 13.099 -0.383 1.00 4.43 O ATOM 812 CB SER A 53 -7.516 14.263 -0.291 1.00 44.15 C ATOM 813 OG SER A 53 -7.245 14.614 -1.642 1.00 62.14 O ATOM 0 H SER A 53 -6.245 12.256 -1.046 1.00 2.31 H new ATOM 0 HA SER A 53 -8.258 12.601 0.867 1.00 73.15 H new ATOM 0 HB2 SER A 53 -8.226 14.972 0.135 1.00 44.15 H new ATOM 0 HB3 SER A 53 -6.601 14.337 0.296 1.00 44.15 H new ATOM 0 HG SER A 53 -6.350 14.301 -1.888 1.00 62.14 H new ATOM 819 N SER A 54 -9.377 12.307 -2.180 1.00 15.11 N ATOM 820 CA SER A 54 -10.579 12.179 -3.021 1.00 72.32 C ATOM 821 C SER A 54 -11.280 10.819 -2.855 1.00 13.30 C ATOM 822 O SER A 54 -12.453 10.674 -3.207 1.00 32.45 O ATOM 823 CB SER A 54 -10.202 12.363 -4.499 1.00 25.45 C ATOM 824 OG SER A 54 -11.292 12.064 -5.362 1.00 61.24 O ATOM 0 H SER A 54 -8.515 12.016 -2.641 1.00 15.11 H new ATOM 0 HA SER A 54 -11.273 12.954 -2.697 1.00 72.32 H new ATOM 0 HB2 SER A 54 -9.877 13.390 -4.666 1.00 25.45 H new ATOM 0 HB3 SER A 54 -9.358 11.718 -4.742 1.00 25.45 H new ATOM 0 HG SER A 54 -11.017 12.193 -6.294 1.00 61.24 H new ATOM 830 N SER A 55 -10.575 9.823 -2.315 1.00 4.42 N ATOM 831 CA SER A 55 -11.089 8.437 -2.322 1.00 72.35 C ATOM 832 C SER A 55 -11.085 7.766 -0.935 1.00 1.10 C ATOM 833 O SER A 55 -11.665 6.694 -0.769 1.00 21.43 O ATOM 834 CB SER A 55 -10.257 7.583 -3.296 1.00 21.15 C ATOM 835 OG SER A 55 -10.156 8.200 -4.574 1.00 33.12 O ATOM 0 H SER A 55 -9.663 9.938 -1.873 1.00 4.42 H new ATOM 0 HA SER A 55 -12.130 8.498 -2.640 1.00 72.35 H new ATOM 0 HB2 SER A 55 -9.259 7.429 -2.885 1.00 21.15 H new ATOM 0 HB3 SER A 55 -10.714 6.599 -3.401 1.00 21.15 H new ATOM 0 HG SER A 55 -9.448 8.877 -4.555 1.00 33.12 H new ATOM 841 N LEU A 56 -10.439 8.379 0.056 1.00 1.43 N ATOM 842 CA LEU A 56 -10.253 7.732 1.368 1.00 40.14 C ATOM 843 C LEU A 56 -10.616 8.658 2.544 1.00 71.53 C ATOM 844 O LEU A 56 -10.786 9.871 2.380 1.00 52.22 O ATOM 845 CB LEU A 56 -8.796 7.271 1.516 1.00 73.24 C ATOM 846 CG LEU A 56 -8.328 6.219 0.496 1.00 35.12 C ATOM 847 CD1 LEU A 56 -6.833 5.961 0.638 1.00 71.30 C ATOM 848 CD2 LEU A 56 -9.118 4.920 0.660 1.00 15.31 C ATOM 0 H LEU A 56 -10.037 9.314 -0.016 1.00 1.43 H new ATOM 0 HA LEU A 56 -10.930 6.879 1.402 1.00 40.14 H new ATOM 0 HB2 LEU A 56 -8.147 8.143 1.436 1.00 73.24 H new ATOM 0 HB3 LEU A 56 -8.662 6.865 2.519 1.00 73.24 H new ATOM 0 HG LEU A 56 -8.514 6.607 -0.505 1.00 35.12 H new ATOM 0 HD11 LEU A 56 -6.522 5.214 -0.092 1.00 71.30 H new ATOM 0 HD12 LEU A 56 -6.286 6.888 0.465 1.00 71.30 H new ATOM 0 HD13 LEU A 56 -6.621 5.596 1.643 1.00 71.30 H new ATOM 0 HD21 LEU A 56 -8.772 4.189 -0.071 1.00 15.31 H new ATOM 0 HD22 LEU A 56 -8.968 4.527 1.666 1.00 15.31 H new ATOM 0 HD23 LEU A 56 -10.178 5.117 0.502 1.00 15.31 H new ATOM 860 N GLU A 57 -10.727 8.062 3.735 1.00 73.53 N ATOM 861 CA GLU A 57 -10.973 8.799 4.974 1.00 74.12 C ATOM 862 C GLU A 57 -9.708 8.829 5.852 1.00 23.31 C ATOM 863 O GLU A 57 -8.879 7.925 5.784 1.00 5.33 O ATOM 864 CB GLU A 57 -12.123 8.143 5.746 1.00 61.14 C ATOM 865 CG GLU A 57 -12.481 8.857 7.039 1.00 30.12 C ATOM 866 CD GLU A 57 -12.944 10.286 6.810 1.00 60.42 C ATOM 867 OE1 GLU A 57 -14.139 10.489 6.512 1.00 53.34 O ATOM 868 OE2 GLU A 57 -12.112 11.211 6.905 1.00 1.32 O ATOM 0 H GLU A 57 -10.648 7.053 3.865 1.00 73.53 H new ATOM 0 HA GLU A 57 -11.242 9.824 4.719 1.00 74.12 H new ATOM 0 HB2 GLU A 57 -13.004 8.108 5.106 1.00 61.14 H new ATOM 0 HB3 GLU A 57 -11.853 7.112 5.974 1.00 61.14 H new ATOM 0 HG2 GLU A 57 -13.268 8.302 7.550 1.00 30.12 H new ATOM 0 HG3 GLU A 57 -11.614 8.862 7.699 1.00 30.12 H new ATOM 875 N LYS A 58 -9.575 9.857 6.690 1.00 21.41 N ATOM 876 CA LYS A 58 -8.408 9.995 7.577 1.00 32.22 C ATOM 877 C LYS A 58 -8.321 8.827 8.585 1.00 11.12 C ATOM 878 O LYS A 58 -7.230 8.422 9.004 1.00 61.45 O ATOM 879 CB LYS A 58 -8.479 11.324 8.345 1.00 32.11 C ATOM 880 CG LYS A 58 -8.706 12.556 7.470 1.00 71.12 C ATOM 881 CD LYS A 58 -7.575 12.787 6.473 1.00 60.24 C ATOM 882 CE LYS A 58 -7.744 14.111 5.727 1.00 35.45 C ATOM 883 NZ LYS A 58 -9.034 14.188 4.990 1.00 3.34 N ATOM 0 H LYS A 58 -10.258 10.609 6.777 1.00 21.41 H new ATOM 0 HA LYS A 58 -7.516 9.978 6.951 1.00 32.22 H new ATOM 0 HB2 LYS A 58 -9.284 11.262 9.077 1.00 32.11 H new ATOM 0 HB3 LYS A 58 -7.551 11.456 8.901 1.00 32.11 H new ATOM 0 HG2 LYS A 58 -9.645 12.444 6.928 1.00 71.12 H new ATOM 0 HG3 LYS A 58 -8.809 13.435 8.107 1.00 71.12 H new ATOM 0 HD2 LYS A 58 -6.620 12.784 6.998 1.00 60.24 H new ATOM 0 HD3 LYS A 58 -7.547 11.966 5.757 1.00 60.24 H new ATOM 0 HE2 LYS A 58 -7.686 14.935 6.438 1.00 35.45 H new ATOM 0 HE3 LYS A 58 -6.920 14.237 5.025 1.00 35.45 H new ATOM 0 HZ1 LYS A 58 -9.043 15.040 4.394 1.00 3.34 H new ATOM 0 HZ2 LYS A 58 -9.142 13.345 4.390 1.00 3.34 H new ATOM 0 HZ3 LYS A 58 -9.820 14.232 5.670 1.00 3.34 H new ATOM 897 N SER A 59 -9.481 8.289 8.965 1.00 73.34 N ATOM 898 CA SER A 59 -9.552 7.208 9.964 1.00 51.05 C ATOM 899 C SER A 59 -9.382 5.824 9.326 1.00 64.05 C ATOM 900 O SER A 59 -9.217 4.827 10.030 1.00 23.44 O ATOM 901 CB SER A 59 -10.887 7.261 10.719 1.00 40.24 C ATOM 902 OG SER A 59 -11.988 7.042 9.846 1.00 63.31 O ATOM 0 H SER A 59 -10.387 8.581 8.599 1.00 73.34 H new ATOM 0 HA SER A 59 -8.729 7.364 10.661 1.00 51.05 H new ATOM 0 HB2 SER A 59 -10.891 6.508 11.507 1.00 40.24 H new ATOM 0 HB3 SER A 59 -10.993 8.231 11.204 1.00 40.24 H new ATOM 0 HG SER A 59 -12.823 7.080 10.357 1.00 63.31 H new ATOM 908 N ARG A 60 -9.417 5.769 7.997 1.00 50.54 N ATOM 909 CA ARG A 60 -9.268 4.504 7.266 1.00 32.54 C ATOM 910 C ARG A 60 -7.883 3.879 7.500 1.00 45.54 C ATOM 911 O ARG A 60 -6.860 4.523 7.284 1.00 34.34 O ATOM 912 CB ARG A 60 -9.493 4.733 5.761 1.00 62.12 C ATOM 913 CG ARG A 60 -9.195 3.513 4.886 1.00 32.30 C ATOM 914 CD ARG A 60 -10.093 2.326 5.226 1.00 61.12 C ATOM 915 NE ARG A 60 -11.500 2.608 4.961 1.00 71.43 N ATOM 916 CZ ARG A 60 -12.490 1.874 5.385 1.00 55.33 C ATOM 917 NH1 ARG A 60 -12.278 0.832 6.120 1.00 24.45 N ATOM 918 NH2 ARG A 60 -13.701 2.186 5.074 1.00 51.11 N ATOM 0 H ARG A 60 -9.547 6.585 7.399 1.00 50.54 H new ATOM 0 HA ARG A 60 -10.019 3.810 7.643 1.00 32.54 H new ATOM 0 HB2 ARG A 60 -10.528 5.035 5.602 1.00 62.12 H new ATOM 0 HB3 ARG A 60 -8.865 5.562 5.434 1.00 62.12 H new ATOM 0 HG2 ARG A 60 -9.329 3.779 3.837 1.00 32.30 H new ATOM 0 HG3 ARG A 60 -8.151 3.224 5.011 1.00 32.30 H new ATOM 0 HD2 ARG A 60 -9.782 1.458 4.644 1.00 61.12 H new ATOM 0 HD3 ARG A 60 -9.968 2.067 6.277 1.00 61.12 H new ATOM 0 HE ARG A 60 -11.724 3.435 4.407 1.00 71.43 H new ATOM 0 HH11 ARG A 60 -11.325 0.574 6.376 1.00 24.45 H new ATOM 0 HH12 ARG A 60 -13.064 0.268 6.444 1.00 24.45 H new ATOM 0 HH21 ARG A 60 -13.884 3.007 4.497 1.00 51.11 H new ATOM 0 HH22 ARG A 60 -14.477 1.612 5.405 1.00 51.11 H new ATOM 932 N ASP A 61 -7.860 2.623 7.950 1.00 22.11 N ATOM 933 CA ASP A 61 -6.605 1.898 8.143 1.00 65.55 C ATOM 934 C ASP A 61 -5.925 1.602 6.794 1.00 53.12 C ATOM 935 O ASP A 61 -6.285 0.661 6.083 1.00 31.33 O ATOM 936 CB ASP A 61 -6.864 0.609 8.927 1.00 5.50 C ATOM 937 CG ASP A 61 -7.508 0.896 10.275 1.00 14.33 C ATOM 938 OD1 ASP A 61 -6.771 1.149 11.253 1.00 4.41 O ATOM 939 OD2 ASP A 61 -8.753 0.893 10.356 1.00 62.11 O ATOM 0 H ASP A 61 -8.696 2.088 8.187 1.00 22.11 H new ATOM 0 HA ASP A 61 -5.924 2.524 8.720 1.00 65.55 H new ATOM 0 HB2 ASP A 61 -7.511 -0.048 8.346 1.00 5.50 H new ATOM 0 HB3 ASP A 61 -5.924 0.078 9.077 1.00 5.50 H new ATOM 944 N ILE A 62 -4.950 2.433 6.445 1.00 11.12 N ATOM 945 CA ILE A 62 -4.281 2.369 5.145 1.00 13.12 C ATOM 946 C ILE A 62 -2.907 1.685 5.223 1.00 14.05 C ATOM 947 O ILE A 62 -2.063 2.045 6.044 1.00 12.24 O ATOM 948 CB ILE A 62 -4.089 3.794 4.575 1.00 63.45 C ATOM 949 CG1 ILE A 62 -5.451 4.483 4.377 1.00 72.54 C ATOM 950 CG2 ILE A 62 -3.311 3.748 3.261 1.00 1.35 C ATOM 951 CD1 ILE A 62 -5.350 5.932 3.949 1.00 63.51 C ATOM 0 H ILE A 62 -4.598 3.172 7.054 1.00 11.12 H new ATOM 0 HA ILE A 62 -4.922 1.775 4.493 1.00 13.12 H new ATOM 0 HB ILE A 62 -3.511 4.377 5.292 1.00 63.45 H new ATOM 0 HG12 ILE A 62 -6.020 3.932 3.628 1.00 72.54 H new ATOM 0 HG13 ILE A 62 -6.014 4.428 5.309 1.00 72.54 H new ATOM 0 HG21 ILE A 62 -3.187 4.760 2.876 1.00 1.35 H new ATOM 0 HG22 ILE A 62 -2.331 3.302 3.434 1.00 1.35 H new ATOM 0 HG23 ILE A 62 -3.859 3.149 2.534 1.00 1.35 H new ATOM 0 HD11 ILE A 62 -6.351 6.347 3.830 1.00 63.51 H new ATOM 0 HD12 ILE A 62 -4.810 6.499 4.707 1.00 63.51 H new ATOM 0 HD13 ILE A 62 -4.816 5.995 3.001 1.00 63.51 H new ATOM 963 N TYR A 63 -2.687 0.707 4.349 1.00 65.23 N ATOM 964 CA TYR A 63 -1.385 0.051 4.218 1.00 33.53 C ATOM 965 C TYR A 63 -0.719 0.444 2.895 1.00 63.54 C ATOM 966 O TYR A 63 -1.239 0.163 1.817 1.00 54.20 O ATOM 967 CB TYR A 63 -1.534 -1.472 4.313 1.00 3.41 C ATOM 968 CG TYR A 63 -2.023 -1.929 5.672 1.00 13.23 C ATOM 969 CD1 TYR A 63 -1.165 -1.955 6.763 1.00 54.30 C ATOM 970 CD2 TYR A 63 -3.341 -2.324 5.866 1.00 5.31 C ATOM 971 CE1 TYR A 63 -1.604 -2.361 8.005 1.00 25.22 C ATOM 972 CE2 TYR A 63 -3.782 -2.733 7.111 1.00 32.02 C ATOM 973 CZ TYR A 63 -2.910 -2.750 8.173 1.00 23.12 C ATOM 974 OH TYR A 63 -3.346 -3.152 9.413 1.00 2.42 O ATOM 0 H TYR A 63 -3.400 0.347 3.714 1.00 65.23 H new ATOM 0 HA TYR A 63 -0.749 0.384 5.038 1.00 33.53 H new ATOM 0 HB2 TYR A 63 -2.231 -1.813 3.547 1.00 3.41 H new ATOM 0 HB3 TYR A 63 -0.573 -1.941 4.101 1.00 3.41 H new ATOM 0 HD1 TYR A 63 -0.136 -1.652 6.637 1.00 54.30 H new ATOM 0 HD2 TYR A 63 -4.029 -2.311 5.034 1.00 5.31 H new ATOM 0 HE1 TYR A 63 -0.923 -2.373 8.843 1.00 25.22 H new ATOM 0 HE2 TYR A 63 -4.809 -3.038 7.248 1.00 32.02 H new ATOM 0 HH TYR A 63 -4.294 -3.394 9.364 1.00 2.42 H new ATOM 984 N VAL A 64 0.427 1.098 2.990 1.00 34.52 N ATOM 985 CA VAL A 64 1.122 1.633 1.816 1.00 13.12 C ATOM 986 C VAL A 64 2.343 0.782 1.448 1.00 63.42 C ATOM 987 O VAL A 64 3.116 0.391 2.322 1.00 0.32 O ATOM 988 CB VAL A 64 1.583 3.085 2.092 1.00 62.54 C ATOM 989 CG1 VAL A 64 2.424 3.629 0.943 1.00 55.30 C ATOM 990 CG2 VAL A 64 0.381 3.986 2.360 1.00 34.14 C ATOM 0 H VAL A 64 0.904 1.276 3.874 1.00 34.52 H new ATOM 0 HA VAL A 64 0.422 1.613 0.981 1.00 13.12 H new ATOM 0 HB VAL A 64 2.211 3.074 2.983 1.00 62.54 H new ATOM 0 HG11 VAL A 64 2.731 4.650 1.169 1.00 55.30 H new ATOM 0 HG12 VAL A 64 3.308 3.005 0.812 1.00 55.30 H new ATOM 0 HG13 VAL A 64 1.835 3.622 0.026 1.00 55.30 H new ATOM 0 HG21 VAL A 64 0.724 5.003 2.552 1.00 34.14 H new ATOM 0 HG22 VAL A 64 -0.277 3.983 1.491 1.00 34.14 H new ATOM 0 HG23 VAL A 64 -0.164 3.617 3.229 1.00 34.14 H new ATOM 1000 N TYR A 65 2.515 0.490 0.157 1.00 13.43 N ATOM 1001 CA TYR A 65 3.702 -0.231 -0.300 1.00 14.32 C ATOM 1002 C TYR A 65 4.266 0.364 -1.601 1.00 61.02 C ATOM 1003 O TYR A 65 3.543 0.592 -2.577 1.00 25.10 O ATOM 1004 CB TYR A 65 3.398 -1.729 -0.469 1.00 35.44 C ATOM 1005 CG TYR A 65 2.558 -2.099 -1.684 1.00 74.32 C ATOM 1006 CD1 TYR A 65 1.240 -1.674 -1.817 1.00 13.30 C ATOM 1007 CD2 TYR A 65 3.093 -2.890 -2.691 1.00 13.22 C ATOM 1008 CE1 TYR A 65 0.487 -2.030 -2.923 1.00 64.31 C ATOM 1009 CE2 TYR A 65 2.346 -3.253 -3.795 1.00 35.44 C ATOM 1010 CZ TYR A 65 1.046 -2.821 -3.906 1.00 21.50 C ATOM 1011 OH TYR A 65 0.297 -3.186 -5.004 1.00 33.35 O ATOM 0 H TYR A 65 1.856 0.738 -0.581 1.00 13.43 H new ATOM 0 HA TYR A 65 4.468 -0.119 0.467 1.00 14.32 H new ATOM 0 HB2 TYR A 65 4.343 -2.269 -0.526 1.00 35.44 H new ATOM 0 HB3 TYR A 65 2.884 -2.080 0.426 1.00 35.44 H new ATOM 0 HD1 TYR A 65 0.798 -1.058 -1.047 1.00 13.30 H new ATOM 0 HD2 TYR A 65 4.115 -3.229 -2.610 1.00 13.22 H new ATOM 0 HE1 TYR A 65 -0.534 -1.690 -3.016 1.00 64.31 H new ATOM 0 HE2 TYR A 65 2.781 -3.872 -4.566 1.00 35.44 H new ATOM 0 HH TYR A 65 0.430 -2.533 -5.723 1.00 33.35 H new ATOM 1021 N GLY A 66 5.563 0.650 -1.583 1.00 21.12 N ATOM 1022 CA GLY A 66 6.270 1.088 -2.780 1.00 60.05 C ATOM 1023 C GLY A 66 7.142 -0.022 -3.354 1.00 10.34 C ATOM 1024 O GLY A 66 7.077 -1.165 -2.903 1.00 63.14 O ATOM 0 H GLY A 66 6.148 0.586 -0.750 1.00 21.12 H new ATOM 0 HA2 GLY A 66 5.549 1.411 -3.531 1.00 60.05 H new ATOM 0 HA3 GLY A 66 6.890 1.952 -2.541 1.00 60.05 H new ATOM 1028 N ALA A 67 7.959 0.300 -4.353 1.00 4.43 N ATOM 1029 CA ALA A 67 8.892 -0.683 -4.920 1.00 22.33 C ATOM 1030 C ALA A 67 10.050 -0.968 -3.950 1.00 23.42 C ATOM 1031 O ALA A 67 10.726 -1.992 -4.045 1.00 65.23 O ATOM 1032 CB ALA A 67 9.418 -0.196 -6.266 1.00 74.14 C ATOM 0 H ALA A 67 7.998 1.222 -4.786 1.00 4.43 H new ATOM 0 HA ALA A 67 8.353 -1.617 -5.076 1.00 22.33 H new ATOM 0 HB1 ALA A 67 10.108 -0.934 -6.675 1.00 74.14 H new ATOM 0 HB2 ALA A 67 8.584 -0.058 -6.954 1.00 74.14 H new ATOM 0 HB3 ALA A 67 9.938 0.752 -6.132 1.00 74.14 H new ATOM 1038 N GLY A 68 10.256 -0.045 -3.015 1.00 3.52 N ATOM 1039 CA GLY A 68 11.270 -0.210 -1.983 1.00 3.21 C ATOM 1040 C GLY A 68 10.846 0.421 -0.661 1.00 61.40 C ATOM 1041 O GLY A 68 10.043 1.361 -0.652 1.00 40.31 O ATOM 0 H GLY A 68 9.731 0.827 -2.952 1.00 3.52 H new ATOM 0 HA2 GLY A 68 11.465 -1.272 -1.832 1.00 3.21 H new ATOM 0 HA3 GLY A 68 12.204 0.241 -2.317 1.00 3.21 H new ATOM 1045 N ASP A 69 11.387 -0.085 0.448 1.00 1.31 N ATOM 1046 CA ASP A 69 11.033 0.386 1.799 1.00 34.11 C ATOM 1047 C ASP A 69 11.034 1.922 1.903 1.00 21.35 C ATOM 1048 O ASP A 69 10.154 2.514 2.533 1.00 53.24 O ATOM 1049 CB ASP A 69 12.010 -0.202 2.822 1.00 60.43 C ATOM 1050 CG ASP A 69 12.066 -1.718 2.756 1.00 50.40 C ATOM 1051 OD1 ASP A 69 12.722 -2.251 1.836 1.00 41.31 O ATOM 1052 OD2 ASP A 69 11.458 -2.380 3.626 1.00 64.24 O ATOM 0 H ASP A 69 12.082 -0.832 0.441 1.00 1.31 H new ATOM 0 HA ASP A 69 10.019 0.046 2.008 1.00 34.11 H new ATOM 0 HB2 ASP A 69 13.006 0.205 2.646 1.00 60.43 H new ATOM 0 HB3 ASP A 69 11.713 0.106 3.824 1.00 60.43 H new ATOM 1057 N GLU A 70 12.021 2.557 1.277 1.00 12.15 N ATOM 1058 CA GLU A 70 12.141 4.019 1.298 1.00 54.34 C ATOM 1059 C GLU A 70 10.911 4.708 0.683 1.00 33.23 C ATOM 1060 O GLU A 70 10.317 5.603 1.294 1.00 62.34 O ATOM 1061 CB GLU A 70 13.402 4.458 0.548 1.00 64.44 C ATOM 1062 CG GLU A 70 13.573 5.972 0.508 1.00 24.33 C ATOM 1063 CD GLU A 70 14.828 6.421 -0.214 1.00 31.42 C ATOM 1064 OE1 GLU A 70 14.768 6.627 -1.443 1.00 23.23 O ATOM 1065 OE2 GLU A 70 15.871 6.592 0.453 1.00 3.21 O ATOM 0 H GLU A 70 12.753 2.084 0.747 1.00 12.15 H new ATOM 0 HA GLU A 70 12.208 4.322 2.343 1.00 54.34 H new ATOM 0 HB2 GLU A 70 14.275 4.012 1.024 1.00 64.44 H new ATOM 0 HB3 GLU A 70 13.364 4.075 -0.472 1.00 64.44 H new ATOM 0 HG2 GLU A 70 12.705 6.415 0.020 1.00 24.33 H new ATOM 0 HG3 GLU A 70 13.594 6.354 1.529 1.00 24.33 H new ATOM 1072 N GLN A 71 10.531 4.293 -0.527 1.00 62.42 N ATOM 1073 CA GLN A 71 9.378 4.885 -1.215 1.00 32.24 C ATOM 1074 C GLN A 71 8.097 4.670 -0.402 1.00 31.04 C ATOM 1075 O GLN A 71 7.216 5.532 -0.359 1.00 4.41 O ATOM 1076 CB GLN A 71 9.225 4.292 -2.622 1.00 3.35 C ATOM 1077 CG GLN A 71 8.191 5.016 -3.482 1.00 50.03 C ATOM 1078 CD GLN A 71 8.345 4.718 -4.965 1.00 22.33 C ATOM 1079 OE1 GLN A 71 9.430 4.401 -5.439 1.00 23.01 O ATOM 1080 NE2 GLN A 71 7.270 4.844 -5.716 1.00 51.53 N ATOM 0 H GLN A 71 11.001 3.554 -1.050 1.00 62.42 H new ATOM 0 HA GLN A 71 9.551 5.957 -1.310 1.00 32.24 H new ATOM 0 HB2 GLN A 71 10.191 4.322 -3.127 1.00 3.35 H new ATOM 0 HB3 GLN A 71 8.943 3.243 -2.536 1.00 3.35 H new ATOM 0 HG2 GLN A 71 7.191 4.727 -3.160 1.00 50.03 H new ATOM 0 HG3 GLN A 71 8.279 6.090 -3.321 1.00 50.03 H new ATOM 0 HE21 GLN A 71 6.381 5.109 -5.293 1.00 51.53 H new ATOM 0 HE22 GLN A 71 7.327 4.676 -6.721 1.00 51.53 H new ATOM 1089 N THR A 72 8.010 3.508 0.245 1.00 22.54 N ATOM 1090 CA THR A 72 6.902 3.199 1.152 1.00 23.22 C ATOM 1091 C THR A 72 6.822 4.227 2.289 1.00 5.24 C ATOM 1092 O THR A 72 5.789 4.864 2.500 1.00 14.22 O ATOM 1093 CB THR A 72 7.058 1.788 1.779 1.00 34.02 C ATOM 1094 OG1 THR A 72 7.112 0.783 0.755 1.00 75.43 O ATOM 1095 CG2 THR A 72 5.915 1.475 2.735 1.00 52.42 C ATOM 0 H THR A 72 8.698 2.760 0.158 1.00 22.54 H new ATOM 0 HA THR A 72 5.990 3.231 0.556 1.00 23.22 H new ATOM 0 HB THR A 72 7.992 1.784 2.341 1.00 34.02 H new ATOM 0 HG1 THR A 72 7.948 0.873 0.252 1.00 75.43 H new ATOM 0 HG21 THR A 72 6.055 0.480 3.156 1.00 52.42 H new ATOM 0 HG22 THR A 72 5.901 2.211 3.539 1.00 52.42 H new ATOM 0 HG23 THR A 72 4.969 1.510 2.195 1.00 52.42 H new ATOM 1103 N SER A 73 7.942 4.396 2.999 1.00 23.13 N ATOM 1104 CA SER A 73 8.023 5.316 4.148 1.00 43.34 C ATOM 1105 C SER A 73 7.653 6.754 3.766 1.00 22.15 C ATOM 1106 O SER A 73 6.918 7.433 4.490 1.00 1.02 O ATOM 1107 CB SER A 73 9.439 5.302 4.743 1.00 52.01 C ATOM 1108 OG SER A 73 9.544 6.192 5.844 1.00 2.12 O ATOM 0 H SER A 73 8.814 3.905 2.799 1.00 23.13 H new ATOM 0 HA SER A 73 7.302 4.965 4.887 1.00 43.34 H new ATOM 0 HB2 SER A 73 9.691 4.291 5.064 1.00 52.01 H new ATOM 0 HB3 SER A 73 10.161 5.582 3.976 1.00 52.01 H new ATOM 0 HG SER A 73 8.978 5.873 6.577 1.00 2.12 H new ATOM 1114 N GLN A 74 8.156 7.216 2.624 1.00 15.35 N ATOM 1115 CA GLN A 74 7.913 8.572 2.171 1.00 23.12 C ATOM 1116 C GLN A 74 6.424 8.801 1.863 1.00 51.42 C ATOM 1117 O GLN A 74 5.841 9.807 2.268 1.00 33.23 O ATOM 1118 CB GLN A 74 8.782 8.842 0.941 1.00 54.21 C ATOM 1119 CG GLN A 74 8.353 10.059 0.156 1.00 64.42 C ATOM 1120 CD GLN A 74 9.276 10.393 -1.003 1.00 70.51 C ATOM 1121 OE1 GLN A 74 9.867 9.389 -1.620 1.00 61.41 O flip ATOM 1122 NE2 GLN A 74 9.448 11.556 -1.351 1.00 50.43 N flip ATOM 0 H GLN A 74 8.738 6.662 1.995 1.00 15.35 H new ATOM 0 HA GLN A 74 8.180 9.271 2.964 1.00 23.12 H new ATOM 0 HB2 GLN A 74 9.817 8.970 1.258 1.00 54.21 H new ATOM 0 HB3 GLN A 74 8.754 7.970 0.288 1.00 54.21 H new ATOM 0 HG2 GLN A 74 7.346 9.897 -0.228 1.00 64.42 H new ATOM 0 HG3 GLN A 74 8.304 10.916 0.828 1.00 64.42 H new ATOM 0 HE21 GLN A 74 8.977 12.312 -0.854 1.00 50.43 H new ATOM 0 HE22 GLN A 74 10.062 11.767 -2.137 1.00 50.43 H new ATOM 1131 N ALA A 75 5.810 7.853 1.161 1.00 52.24 N ATOM 1132 CA ALA A 75 4.383 7.933 0.837 1.00 52.22 C ATOM 1133 C ALA A 75 3.515 7.938 2.104 1.00 22.44 C ATOM 1134 O ALA A 75 2.578 8.730 2.231 1.00 1.11 O ATOM 1135 CB ALA A 75 3.997 6.775 -0.068 1.00 45.50 C ATOM 0 H ALA A 75 6.276 7.019 0.804 1.00 52.24 H new ATOM 0 HA ALA A 75 4.204 8.874 0.316 1.00 52.22 H new ATOM 0 HB1 ALA A 75 2.935 6.838 -0.307 1.00 45.50 H new ATOM 0 HB2 ALA A 75 4.579 6.823 -0.988 1.00 45.50 H new ATOM 0 HB3 ALA A 75 4.199 5.833 0.441 1.00 45.50 H new ATOM 1141 N VAL A 76 3.839 7.048 3.039 1.00 53.04 N ATOM 1142 CA VAL A 76 3.169 7.009 4.345 1.00 64.11 C ATOM 1143 C VAL A 76 3.192 8.391 5.022 1.00 74.51 C ATOM 1144 O VAL A 76 2.167 8.872 5.518 1.00 64.40 O ATOM 1145 CB VAL A 76 3.831 5.961 5.279 1.00 24.11 C ATOM 1146 CG1 VAL A 76 3.274 6.053 6.700 1.00 54.45 C ATOM 1147 CG2 VAL A 76 3.643 4.553 4.715 1.00 3.11 C ATOM 0 H VAL A 76 4.564 6.340 2.920 1.00 53.04 H new ATOM 0 HA VAL A 76 2.132 6.721 4.169 1.00 64.11 H new ATOM 0 HB VAL A 76 4.898 6.178 5.327 1.00 24.11 H new ATOM 0 HG11 VAL A 76 3.758 5.306 7.329 1.00 54.45 H new ATOM 0 HG12 VAL A 76 3.467 7.047 7.103 1.00 54.45 H new ATOM 0 HG13 VAL A 76 2.199 5.871 6.682 1.00 54.45 H new ATOM 0 HG21 VAL A 76 4.112 3.829 5.381 1.00 3.11 H new ATOM 0 HG22 VAL A 76 2.579 4.333 4.632 1.00 3.11 H new ATOM 0 HG23 VAL A 76 4.104 4.491 3.729 1.00 3.11 H new ATOM 1157 N ASN A 77 4.364 9.028 5.023 1.00 24.32 N ATOM 1158 CA ASN A 77 4.521 10.383 5.566 1.00 14.14 C ATOM 1159 C ASN A 77 3.528 11.355 4.916 1.00 53.42 C ATOM 1160 O ASN A 77 2.828 12.103 5.595 1.00 44.23 O ATOM 1161 CB ASN A 77 5.944 10.885 5.316 1.00 34.14 C ATOM 1162 CG ASN A 77 6.250 12.177 6.058 1.00 55.14 C ATOM 1163 OD1 ASN A 77 5.713 12.437 7.132 1.00 34.32 O ATOM 1164 ND2 ASN A 77 7.105 13.003 5.490 1.00 45.43 N ATOM 0 H ASN A 77 5.225 8.626 4.652 1.00 24.32 H new ATOM 0 HA ASN A 77 4.324 10.339 6.637 1.00 14.14 H new ATOM 0 HB2 ASN A 77 6.655 10.118 5.623 1.00 34.14 H new ATOM 0 HB3 ASN A 77 6.087 11.042 4.247 1.00 34.14 H new ATOM 0 HD21 ASN A 77 7.338 13.887 5.943 1.00 45.43 H new ATOM 0 HD22 ASN A 77 7.534 12.758 4.598 1.00 45.43 H new ATOM 1171 N LEU A 78 3.480 11.320 3.589 1.00 42.33 N ATOM 1172 CA LEU A 78 2.631 12.214 2.798 1.00 71.45 C ATOM 1173 C LEU A 78 1.138 12.055 3.142 1.00 30.22 C ATOM 1174 O LEU A 78 0.380 13.025 3.111 1.00 4.12 O ATOM 1175 CB LEU A 78 2.881 11.942 1.313 1.00 25.14 C ATOM 1176 CG LEU A 78 4.332 12.189 0.863 1.00 15.02 C ATOM 1177 CD1 LEU A 78 4.603 11.556 -0.495 1.00 34.53 C ATOM 1178 CD2 LEU A 78 4.643 13.684 0.839 1.00 10.25 C ATOM 0 H LEU A 78 4.029 10.670 3.026 1.00 42.33 H new ATOM 0 HA LEU A 78 2.893 13.245 3.037 1.00 71.45 H new ATOM 0 HB2 LEU A 78 2.616 10.908 1.095 1.00 25.14 H new ATOM 0 HB3 LEU A 78 2.217 12.573 0.722 1.00 25.14 H new ATOM 0 HG LEU A 78 4.993 11.714 1.588 1.00 15.02 H new ATOM 0 HD11 LEU A 78 5.636 11.747 -0.786 1.00 34.53 H new ATOM 0 HD12 LEU A 78 4.436 10.480 -0.435 1.00 34.53 H new ATOM 0 HD13 LEU A 78 3.931 11.986 -1.238 1.00 34.53 H new ATOM 0 HD21 LEU A 78 5.674 13.836 0.518 1.00 10.25 H new ATOM 0 HD22 LEU A 78 3.969 14.185 0.144 1.00 10.25 H new ATOM 0 HD23 LEU A 78 4.509 14.100 1.838 1.00 10.25 H new ATOM 1190 N LEU A 79 0.724 10.835 3.485 1.00 54.42 N ATOM 1191 CA LEU A 79 -0.665 10.581 3.891 1.00 61.21 C ATOM 1192 C LEU A 79 -0.999 11.239 5.238 1.00 34.52 C ATOM 1193 O LEU A 79 -1.974 11.982 5.345 1.00 42.13 O ATOM 1194 CB LEU A 79 -0.956 9.077 3.947 1.00 63.34 C ATOM 1195 CG LEU A 79 -1.100 8.394 2.580 1.00 24.31 C ATOM 1196 CD1 LEU A 79 -1.332 6.899 2.752 1.00 3.42 C ATOM 1197 CD2 LEU A 79 -2.236 9.026 1.780 1.00 64.40 C ATOM 0 H LEU A 79 1.324 10.010 3.491 1.00 54.42 H new ATOM 0 HA LEU A 79 -1.305 11.033 3.133 1.00 61.21 H new ATOM 0 HB2 LEU A 79 -0.154 8.587 4.499 1.00 63.34 H new ATOM 0 HB3 LEU A 79 -1.874 8.920 4.513 1.00 63.34 H new ATOM 0 HG LEU A 79 -0.172 8.536 2.026 1.00 24.31 H new ATOM 0 HD11 LEU A 79 -1.432 6.431 1.773 1.00 3.42 H new ATOM 0 HD12 LEU A 79 -0.487 6.458 3.280 1.00 3.42 H new ATOM 0 HD13 LEU A 79 -2.244 6.736 3.326 1.00 3.42 H new ATOM 0 HD21 LEU A 79 -2.322 8.528 0.814 1.00 64.40 H new ATOM 0 HD22 LEU A 79 -3.172 8.918 2.329 1.00 64.40 H new ATOM 0 HD23 LEU A 79 -2.027 10.084 1.625 1.00 64.40 H new ATOM 1209 N ARG A 80 -0.197 10.976 6.269 1.00 11.01 N ATOM 1210 CA ARG A 80 -0.409 11.632 7.568 1.00 34.11 C ATOM 1211 C ARG A 80 -0.143 13.145 7.481 1.00 24.03 C ATOM 1212 O ARG A 80 -0.695 13.925 8.262 1.00 15.33 O ATOM 1213 CB ARG A 80 0.413 10.966 8.689 1.00 53.43 C ATOM 1214 CG ARG A 80 1.787 10.455 8.272 1.00 4.12 C ATOM 1215 CD ARG A 80 2.473 9.701 9.415 1.00 0.53 C ATOM 1216 NE ARG A 80 1.564 8.759 10.079 1.00 43.13 N ATOM 1217 CZ ARG A 80 1.804 7.485 10.258 1.00 42.22 C ATOM 1218 NH1 ARG A 80 2.912 6.952 9.855 1.00 64.31 N ATOM 1219 NH2 ARG A 80 0.927 6.751 10.862 1.00 52.40 N ATOM 0 H ARG A 80 0.590 10.328 6.238 1.00 11.01 H new ATOM 0 HA ARG A 80 -1.459 11.502 7.830 1.00 34.11 H new ATOM 0 HB2 ARG A 80 0.541 11.684 9.499 1.00 53.43 H new ATOM 0 HB3 ARG A 80 -0.161 10.131 9.091 1.00 53.43 H new ATOM 0 HG2 ARG A 80 1.686 9.797 7.409 1.00 4.12 H new ATOM 0 HG3 ARG A 80 2.410 11.294 7.962 1.00 4.12 H new ATOM 0 HD2 ARG A 80 3.335 9.159 9.025 1.00 0.53 H new ATOM 0 HD3 ARG A 80 2.850 10.416 10.146 1.00 0.53 H new ATOM 0 HE ARG A 80 0.678 9.125 10.427 1.00 43.13 H new ATOM 0 HH11 ARG A 80 3.615 7.527 9.390 1.00 64.31 H new ATOM 0 HH12 ARG A 80 3.083 5.957 10.003 1.00 64.31 H new ATOM 0 HH21 ARG A 80 0.057 7.166 11.195 1.00 52.40 H new ATOM 0 HH22 ARG A 80 1.106 5.757 11.006 1.00 52.40 H new ATOM 1233 N SER A 81 0.683 13.557 6.520 1.00 23.00 N ATOM 1234 CA SER A 81 0.820 14.984 6.179 1.00 51.12 C ATOM 1235 C SER A 81 -0.473 15.511 5.534 1.00 42.43 C ATOM 1236 O SER A 81 -0.830 16.681 5.684 1.00 41.33 O ATOM 1237 CB SER A 81 2.002 15.208 5.223 1.00 43.42 C ATOM 1238 OG SER A 81 2.064 16.557 4.775 1.00 32.42 O ATOM 0 H SER A 81 1.267 12.932 5.963 1.00 23.00 H new ATOM 0 HA SER A 81 1.008 15.531 7.103 1.00 51.12 H new ATOM 0 HB2 SER A 81 2.933 14.948 5.727 1.00 43.42 H new ATOM 0 HB3 SER A 81 1.908 14.543 4.365 1.00 43.42 H new ATOM 0 HG SER A 81 2.827 16.666 4.170 1.00 32.42 H new ATOM 1244 N ALA A 82 -1.175 14.633 4.812 1.00 75.34 N ATOM 1245 CA ALA A 82 -2.478 14.966 4.226 1.00 63.21 C ATOM 1246 C ALA A 82 -3.615 14.802 5.255 1.00 44.10 C ATOM 1247 O ALA A 82 -4.789 14.973 4.926 1.00 32.34 O ATOM 1248 CB ALA A 82 -2.746 14.099 2.995 1.00 30.11 C ATOM 0 H ALA A 82 -0.862 13.682 4.618 1.00 75.34 H new ATOM 0 HA ALA A 82 -2.450 16.012 3.922 1.00 63.21 H new ATOM 0 HB1 ALA A 82 -3.716 14.358 2.572 1.00 30.11 H new ATOM 0 HB2 ALA A 82 -1.968 14.272 2.252 1.00 30.11 H new ATOM 0 HB3 ALA A 82 -2.745 13.048 3.283 1.00 30.11 H new ATOM 1254 N GLY A 83 -3.256 14.456 6.497 1.00 61.21 N ATOM 1255 CA GLY A 83 -4.245 14.335 7.570 1.00 13.24 C ATOM 1256 C GLY A 83 -4.507 12.897 8.011 1.00 21.22 C ATOM 1257 O GLY A 83 -4.835 12.650 9.172 1.00 14.43 O ATOM 0 H GLY A 83 -2.297 14.257 6.780 1.00 61.21 H new ATOM 0 HA2 GLY A 83 -3.906 14.912 8.430 1.00 13.24 H new ATOM 0 HA3 GLY A 83 -5.183 14.779 7.238 1.00 13.24 H new ATOM 1261 N PHE A 84 -4.375 11.953 7.080 1.00 24.05 N ATOM 1262 CA PHE A 84 -4.674 10.535 7.342 1.00 35.45 C ATOM 1263 C PHE A 84 -4.009 10.009 8.627 1.00 71.42 C ATOM 1264 O PHE A 84 -2.785 9.932 8.730 1.00 11.44 O ATOM 1265 CB PHE A 84 -4.258 9.675 6.144 1.00 64.42 C ATOM 1266 CG PHE A 84 -5.026 9.992 4.888 1.00 61.23 C ATOM 1267 CD1 PHE A 84 -6.275 9.433 4.666 1.00 65.55 C ATOM 1268 CD2 PHE A 84 -4.505 10.854 3.935 1.00 30.23 C ATOM 1269 CE1 PHE A 84 -6.986 9.725 3.522 1.00 2.32 C ATOM 1270 CE2 PHE A 84 -5.214 11.151 2.790 1.00 40.33 C ATOM 1271 CZ PHE A 84 -6.456 10.585 2.583 1.00 51.11 C ATOM 0 H PHE A 84 -4.061 12.141 6.128 1.00 24.05 H new ATOM 0 HA PHE A 84 -5.751 10.464 7.491 1.00 35.45 H new ATOM 0 HB2 PHE A 84 -3.194 9.816 5.956 1.00 64.42 H new ATOM 0 HB3 PHE A 84 -4.401 8.624 6.393 1.00 64.42 H new ATOM 0 HD1 PHE A 84 -6.696 8.760 5.399 1.00 65.55 H new ATOM 0 HD2 PHE A 84 -3.533 11.298 4.091 1.00 30.23 H new ATOM 0 HE1 PHE A 84 -7.957 9.281 3.361 1.00 2.32 H new ATOM 0 HE2 PHE A 84 -4.798 11.826 2.056 1.00 40.33 H new ATOM 0 HZ PHE A 84 -7.012 10.815 1.686 1.00 51.11 H new ATOM 1281 N GLU A 85 -4.843 9.640 9.593 1.00 24.13 N ATOM 1282 CA GLU A 85 -4.385 9.138 10.890 1.00 21.45 C ATOM 1283 C GLU A 85 -3.844 7.707 10.796 1.00 31.44 C ATOM 1284 O GLU A 85 -2.707 7.428 11.179 1.00 65.25 O ATOM 1285 CB GLU A 85 -5.551 9.179 11.889 1.00 45.52 C ATOM 1286 CG GLU A 85 -6.000 10.587 12.258 1.00 10.34 C ATOM 1287 CD GLU A 85 -7.145 10.588 13.254 1.00 2.22 C ATOM 1288 OE1 GLU A 85 -8.308 10.467 12.827 1.00 24.00 O ATOM 1289 OE2 GLU A 85 -6.886 10.692 14.472 1.00 13.44 O ATOM 0 H GLU A 85 -5.858 9.679 9.502 1.00 24.13 H new ATOM 0 HA GLU A 85 -3.569 9.778 11.227 1.00 21.45 H new ATOM 0 HB2 GLU A 85 -6.397 8.638 11.467 1.00 45.52 H new ATOM 0 HB3 GLU A 85 -5.257 8.653 12.797 1.00 45.52 H new ATOM 0 HG2 GLU A 85 -5.157 11.136 12.678 1.00 10.34 H new ATOM 0 HG3 GLU A 85 -6.307 11.116 11.355 1.00 10.34 H new ATOM 1296 N HIS A 86 -4.666 6.796 10.280 1.00 3.41 N ATOM 1297 CA HIS A 86 -4.330 5.367 10.290 1.00 12.40 C ATOM 1298 C HIS A 86 -3.575 4.949 9.020 1.00 4.53 C ATOM 1299 O HIS A 86 -4.178 4.545 8.035 1.00 12.12 O ATOM 1300 CB HIS A 86 -5.607 4.524 10.453 1.00 63.35 C ATOM 1301 CG HIS A 86 -6.397 4.837 11.691 1.00 54.35 C ATOM 1302 ND1 HIS A 86 -7.394 4.020 12.173 1.00 62.03 N ATOM 1303 CD2 HIS A 86 -6.351 5.898 12.533 1.00 41.22 C ATOM 1304 CE1 HIS A 86 -7.920 4.564 13.254 1.00 75.02 C ATOM 1305 NE2 HIS A 86 -7.306 5.699 13.493 1.00 15.32 N ATOM 0 H HIS A 86 -5.565 7.016 9.851 1.00 3.41 H new ATOM 0 HA HIS A 86 -3.669 5.188 11.138 1.00 12.40 H new ATOM 0 HB2 HIS A 86 -6.243 4.676 9.581 1.00 63.35 H new ATOM 0 HB3 HIS A 86 -5.333 3.469 10.467 1.00 63.35 H new ATOM 0 HD1 HIS A 86 -7.681 3.133 11.759 1.00 62.03 H new ATOM 0 HD2 HIS A 86 -5.684 6.744 12.460 1.00 41.22 H new ATOM 0 HE1 HIS A 86 -8.722 4.145 13.844 1.00 75.02 H new ATOM 1314 N VAL A 87 -2.248 5.071 9.043 1.00 70.45 N ATOM 1315 CA VAL A 87 -1.404 4.667 7.906 1.00 45.44 C ATOM 1316 C VAL A 87 -0.186 3.860 8.392 1.00 71.41 C ATOM 1317 O VAL A 87 0.401 4.181 9.426 1.00 42.42 O ATOM 1318 CB VAL A 87 -0.910 5.896 7.095 1.00 55.34 C ATOM 1319 CG1 VAL A 87 -0.146 5.454 5.850 1.00 11.34 C ATOM 1320 CG2 VAL A 87 -2.073 6.813 6.720 1.00 31.25 C ATOM 0 H VAL A 87 -1.728 5.447 9.836 1.00 70.45 H new ATOM 0 HA VAL A 87 -2.020 4.045 7.256 1.00 45.44 H new ATOM 0 HB VAL A 87 -0.228 6.462 7.730 1.00 55.34 H new ATOM 0 HG11 VAL A 87 0.190 6.332 5.298 1.00 11.34 H new ATOM 0 HG12 VAL A 87 0.718 4.859 6.146 1.00 11.34 H new ATOM 0 HG13 VAL A 87 -0.799 4.855 5.216 1.00 11.34 H new ATOM 0 HG21 VAL A 87 -1.697 7.665 6.153 1.00 31.25 H new ATOM 0 HG22 VAL A 87 -2.790 6.261 6.113 1.00 31.25 H new ATOM 0 HG23 VAL A 87 -2.563 7.169 7.626 1.00 31.25 H new ATOM 1330 N SER A 88 0.188 2.817 7.648 1.00 10.14 N ATOM 1331 CA SER A 88 1.317 1.952 8.039 1.00 3.22 C ATOM 1332 C SER A 88 2.251 1.642 6.861 1.00 45.54 C ATOM 1333 O SER A 88 1.817 1.553 5.707 1.00 74.12 O ATOM 1334 CB SER A 88 0.794 0.639 8.633 1.00 3.44 C ATOM 1335 OG SER A 88 1.856 -0.234 8.979 1.00 54.54 O ATOM 0 H SER A 88 -0.267 2.547 6.776 1.00 10.14 H new ATOM 0 HA SER A 88 1.893 2.498 8.786 1.00 3.22 H new ATOM 0 HB2 SER A 88 0.194 0.852 9.518 1.00 3.44 H new ATOM 0 HB3 SER A 88 0.138 0.149 7.914 1.00 3.44 H new ATOM 0 HG SER A 88 1.489 -1.081 9.309 1.00 54.54 H new ATOM 1341 N GLU A 89 3.540 1.476 7.164 1.00 52.41 N ATOM 1342 CA GLU A 89 4.551 1.127 6.155 1.00 33.12 C ATOM 1343 C GLU A 89 4.589 -0.395 5.925 1.00 43.04 C ATOM 1344 O GLU A 89 4.960 -1.152 6.822 1.00 73.02 O ATOM 1345 CB GLU A 89 5.939 1.618 6.606 1.00 51.24 C ATOM 1346 CG GLU A 89 5.941 3.037 7.174 1.00 52.42 C ATOM 1347 CD GLU A 89 7.299 3.463 7.719 1.00 21.10 C ATOM 1348 OE1 GLU A 89 7.898 2.704 8.509 1.00 11.41 O ATOM 1349 OE2 GLU A 89 7.762 4.573 7.386 1.00 23.43 O ATOM 0 H GLU A 89 3.914 1.578 8.107 1.00 52.41 H new ATOM 0 HA GLU A 89 4.282 1.615 5.218 1.00 33.12 H new ATOM 0 HB2 GLU A 89 6.327 0.935 7.361 1.00 51.24 H new ATOM 0 HB3 GLU A 89 6.622 1.576 5.757 1.00 51.24 H new ATOM 0 HG2 GLU A 89 5.635 3.734 6.394 1.00 52.42 H new ATOM 0 HG3 GLU A 89 5.200 3.104 7.970 1.00 52.42 H new ATOM 1356 N LEU A 90 4.200 -0.848 4.731 1.00 64.22 N ATOM 1357 CA LEU A 90 4.199 -2.285 4.433 1.00 43.02 C ATOM 1358 C LEU A 90 5.630 -2.811 4.234 1.00 52.33 C ATOM 1359 O LEU A 90 6.260 -2.582 3.197 1.00 5.13 O ATOM 1360 CB LEU A 90 3.342 -2.597 3.196 1.00 74.23 C ATOM 1361 CG LEU A 90 3.061 -4.096 2.964 1.00 64.24 C ATOM 1362 CD1 LEU A 90 2.330 -4.699 4.162 1.00 4.44 C ATOM 1363 CD2 LEU A 90 2.258 -4.310 1.682 1.00 55.42 C ATOM 0 H LEU A 90 3.886 -0.253 3.965 1.00 64.22 H new ATOM 0 HA LEU A 90 3.760 -2.794 5.291 1.00 43.02 H new ATOM 0 HB2 LEU A 90 2.390 -2.074 3.290 1.00 74.23 H new ATOM 0 HB3 LEU A 90 3.842 -2.195 2.315 1.00 74.23 H new ATOM 0 HG LEU A 90 4.018 -4.605 2.853 1.00 64.24 H new ATOM 0 HD11 LEU A 90 2.141 -5.757 3.978 1.00 4.44 H new ATOM 0 HD12 LEU A 90 2.944 -4.590 5.056 1.00 4.44 H new ATOM 0 HD13 LEU A 90 1.382 -4.181 4.308 1.00 4.44 H new ATOM 0 HD21 LEU A 90 2.073 -5.375 1.542 1.00 55.42 H new ATOM 0 HD22 LEU A 90 1.306 -3.784 1.757 1.00 55.42 H new ATOM 0 HD23 LEU A 90 2.820 -3.924 0.832 1.00 55.42 H new ATOM 1375 N LYS A 91 6.133 -3.508 5.245 1.00 11.45 N ATOM 1376 CA LYS A 91 7.491 -4.060 5.228 1.00 13.44 C ATOM 1377 C LYS A 91 7.684 -5.116 4.125 1.00 71.01 C ATOM 1378 O LYS A 91 6.836 -5.987 3.921 1.00 63.13 O ATOM 1379 CB LYS A 91 7.821 -4.668 6.599 1.00 63.43 C ATOM 1380 CG LYS A 91 7.985 -3.634 7.703 1.00 42.31 C ATOM 1381 CD LYS A 91 8.139 -4.293 9.068 1.00 54.11 C ATOM 1382 CE LYS A 91 9.342 -5.231 9.129 1.00 34.10 C ATOM 1383 NZ LYS A 91 9.546 -5.782 10.494 1.00 63.40 N ATOM 0 H LYS A 91 5.616 -3.709 6.101 1.00 11.45 H new ATOM 0 HA LYS A 91 8.173 -3.239 5.009 1.00 13.44 H new ATOM 0 HB2 LYS A 91 7.029 -5.363 6.879 1.00 63.43 H new ATOM 0 HB3 LYS A 91 8.740 -5.248 6.518 1.00 63.43 H new ATOM 0 HG2 LYS A 91 8.858 -3.015 7.496 1.00 42.31 H new ATOM 0 HG3 LYS A 91 7.120 -2.971 7.713 1.00 42.31 H new ATOM 0 HD2 LYS A 91 8.244 -3.522 9.831 1.00 54.11 H new ATOM 0 HD3 LYS A 91 7.233 -4.852 9.303 1.00 54.11 H new ATOM 0 HE2 LYS A 91 9.200 -6.050 8.424 1.00 34.10 H new ATOM 0 HE3 LYS A 91 10.238 -4.694 8.817 1.00 34.10 H new ATOM 0 HZ1 LYS A 91 10.372 -6.414 10.493 1.00 63.40 H new ATOM 0 HZ2 LYS A 91 9.707 -5.002 11.163 1.00 63.40 H new ATOM 0 HZ3 LYS A 91 8.702 -6.316 10.782 1.00 63.40 H new ATOM 1397 N GLY A 92 8.809 -5.023 3.416 1.00 41.52 N ATOM 1398 CA GLY A 92 9.144 -6.006 2.387 1.00 20.31 C ATOM 1399 C GLY A 92 8.629 -5.651 0.990 1.00 3.44 C ATOM 1400 O GLY A 92 9.179 -6.109 -0.016 1.00 61.51 O ATOM 0 H GLY A 92 9.500 -4.282 3.534 1.00 41.52 H new ATOM 0 HA2 GLY A 92 10.228 -6.117 2.345 1.00 20.31 H new ATOM 0 HA3 GLY A 92 8.735 -6.974 2.678 1.00 20.31 H new ATOM 1404 N GLY A 93 7.565 -4.851 0.917 1.00 2.03 N ATOM 1405 CA GLY A 93 7.014 -4.453 -0.380 1.00 61.20 C ATOM 1406 C GLY A 93 6.256 -5.575 -1.097 1.00 23.52 C ATOM 1407 O GLY A 93 5.788 -6.537 -0.473 1.00 43.25 O ATOM 0 H GLY A 93 7.074 -4.471 1.726 1.00 2.03 H new ATOM 0 HA2 GLY A 93 6.342 -3.607 -0.235 1.00 61.20 H new ATOM 0 HA3 GLY A 93 7.826 -4.109 -1.020 1.00 61.20 H new ATOM 1411 N LEU A 94 6.154 -5.458 -2.420 1.00 0.31 N ATOM 1412 CA LEU A 94 5.421 -6.429 -3.239 1.00 1.10 C ATOM 1413 C LEU A 94 6.100 -7.810 -3.226 1.00 65.41 C ATOM 1414 O LEU A 94 5.431 -8.844 -3.153 1.00 42.15 O ATOM 1415 CB LEU A 94 5.313 -5.914 -4.682 1.00 53.32 C ATOM 1416 CG LEU A 94 4.517 -6.807 -5.649 1.00 55.43 C ATOM 1417 CD1 LEU A 94 3.042 -6.860 -5.257 1.00 33.21 C ATOM 1418 CD2 LEU A 94 4.684 -6.323 -7.087 1.00 35.15 C ATOM 0 H LEU A 94 6.572 -4.695 -2.953 1.00 0.31 H new ATOM 0 HA LEU A 94 4.424 -6.543 -2.813 1.00 1.10 H new ATOM 0 HB2 LEU A 94 4.850 -4.927 -4.663 1.00 53.32 H new ATOM 0 HB3 LEU A 94 6.320 -5.786 -5.079 1.00 53.32 H new ATOM 0 HG LEU A 94 4.915 -7.820 -5.582 1.00 55.43 H new ATOM 0 HD11 LEU A 94 2.502 -7.498 -5.957 1.00 33.21 H new ATOM 0 HD12 LEU A 94 2.948 -7.265 -4.250 1.00 33.21 H new ATOM 0 HD13 LEU A 94 2.622 -5.855 -5.284 1.00 33.21 H new ATOM 0 HD21 LEU A 94 4.114 -6.967 -7.756 1.00 35.15 H new ATOM 0 HD22 LEU A 94 4.320 -5.299 -7.171 1.00 35.15 H new ATOM 0 HD23 LEU A 94 5.738 -6.357 -7.362 1.00 35.15 H new ATOM 1430 N ALA A 95 7.430 -7.816 -3.301 1.00 35.13 N ATOM 1431 CA ALA A 95 8.206 -9.063 -3.274 1.00 62.21 C ATOM 1432 C ALA A 95 7.898 -9.905 -2.023 1.00 51.44 C ATOM 1433 O ALA A 95 7.742 -11.121 -2.114 1.00 72.31 O ATOM 1434 CB ALA A 95 9.697 -8.755 -3.355 1.00 53.31 C ATOM 0 H ALA A 95 7.997 -6.972 -3.381 1.00 35.13 H new ATOM 0 HA ALA A 95 7.914 -9.653 -4.142 1.00 62.21 H new ATOM 0 HB1 ALA A 95 10.263 -9.687 -3.334 1.00 53.31 H new ATOM 0 HB2 ALA A 95 9.909 -8.223 -4.282 1.00 53.31 H new ATOM 0 HB3 ALA A 95 9.987 -8.135 -2.506 1.00 53.31 H new ATOM 1440 N ALA A 96 7.803 -9.251 -0.862 1.00 63.12 N ATOM 1441 CA ALA A 96 7.454 -9.942 0.389 1.00 4.32 C ATOM 1442 C ALA A 96 6.047 -10.551 0.313 1.00 4.52 C ATOM 1443 O ALA A 96 5.836 -11.712 0.676 1.00 63.03 O ATOM 1444 CB ALA A 96 7.555 -8.988 1.573 1.00 32.32 C ATOM 0 H ALA A 96 7.961 -8.249 -0.759 1.00 63.12 H new ATOM 0 HA ALA A 96 8.167 -10.754 0.532 1.00 4.32 H new ATOM 0 HB1 ALA A 96 7.293 -9.517 2.490 1.00 32.32 H new ATOM 0 HB2 ALA A 96 8.575 -8.611 1.650 1.00 32.32 H new ATOM 0 HB3 ALA A 96 6.869 -8.153 1.427 1.00 32.32 H new ATOM 1450 N TRP A 97 5.089 -9.756 -0.169 1.00 55.24 N ATOM 1451 CA TRP A 97 3.715 -10.233 -0.377 1.00 2.43 C ATOM 1452 C TRP A 97 3.698 -11.486 -1.270 1.00 62.32 C ATOM 1453 O TRP A 97 2.930 -12.422 -1.043 1.00 21.45 O ATOM 1454 CB TRP A 97 2.862 -9.123 -1.010 1.00 35.14 C ATOM 1455 CG TRP A 97 1.418 -9.499 -1.177 1.00 34.23 C ATOM 1456 CD1 TRP A 97 0.825 -10.023 -2.292 1.00 73.40 C ATOM 1457 CD2 TRP A 97 0.385 -9.385 -0.191 1.00 43.31 C ATOM 1458 NE1 TRP A 97 -0.510 -10.239 -2.057 1.00 43.24 N ATOM 1459 CE2 TRP A 97 -0.805 -9.855 -0.776 1.00 31.21 C ATOM 1460 CE3 TRP A 97 0.352 -8.928 1.129 1.00 62.31 C ATOM 1461 CZ2 TRP A 97 -2.013 -9.882 -0.088 1.00 33.22 C ATOM 1462 CZ3 TRP A 97 -0.849 -8.958 1.812 1.00 74.23 C ATOM 1463 CH2 TRP A 97 -2.016 -9.432 1.204 1.00 3.41 C ATOM 0 H TRP A 97 5.237 -8.779 -0.423 1.00 55.24 H new ATOM 0 HA TRP A 97 3.294 -10.498 0.593 1.00 2.43 H new ATOM 0 HB2 TRP A 97 2.927 -8.228 -0.391 1.00 35.14 H new ATOM 0 HB3 TRP A 97 3.278 -8.867 -1.985 1.00 35.14 H new ATOM 0 HD1 TRP A 97 1.333 -10.236 -3.221 1.00 73.40 H new ATOM 0 HE1 TRP A 97 -1.175 -10.623 -2.728 1.00 43.24 H new ATOM 0 HE3 TRP A 97 1.248 -8.559 1.606 1.00 62.31 H new ATOM 0 HZ2 TRP A 97 -2.916 -10.245 -0.556 1.00 33.22 H new ATOM 0 HZ3 TRP A 97 -0.887 -8.609 2.833 1.00 74.23 H new ATOM 0 HH2 TRP A 97 -2.938 -9.443 1.766 1.00 3.41 H new ATOM 1474 N LYS A 98 4.556 -11.498 -2.282 1.00 10.42 N ATOM 1475 CA LYS A 98 4.678 -12.649 -3.182 1.00 72.24 C ATOM 1476 C LYS A 98 5.424 -13.820 -2.521 1.00 15.23 C ATOM 1477 O LYS A 98 5.072 -14.983 -2.720 1.00 24.02 O ATOM 1478 CB LYS A 98 5.407 -12.235 -4.469 1.00 23.13 C ATOM 1479 CG LYS A 98 4.642 -11.234 -5.321 1.00 44.35 C ATOM 1480 CD LYS A 98 5.360 -10.966 -6.639 1.00 13.43 C ATOM 1481 CE LYS A 98 4.513 -10.117 -7.571 1.00 64.41 C ATOM 1482 NZ LYS A 98 5.123 -9.991 -8.920 1.00 55.33 N ATOM 0 H LYS A 98 5.182 -10.724 -2.505 1.00 10.42 H new ATOM 0 HA LYS A 98 3.669 -12.986 -3.419 1.00 72.24 H new ATOM 0 HB2 LYS A 98 6.374 -11.807 -4.205 1.00 23.13 H new ATOM 0 HB3 LYS A 98 5.605 -13.126 -5.064 1.00 23.13 H new ATOM 0 HG2 LYS A 98 3.640 -11.614 -5.521 1.00 44.35 H new ATOM 0 HG3 LYS A 98 4.525 -10.300 -4.772 1.00 44.35 H new ATOM 0 HD2 LYS A 98 6.306 -10.461 -6.443 1.00 13.43 H new ATOM 0 HD3 LYS A 98 5.599 -11.913 -7.124 1.00 13.43 H new ATOM 0 HE2 LYS A 98 3.521 -10.559 -7.662 1.00 64.41 H new ATOM 0 HE3 LYS A 98 4.382 -9.125 -7.139 1.00 64.41 H new ATOM 0 HZ1 LYS A 98 4.513 -9.404 -9.524 1.00 55.33 H new ATOM 0 HZ2 LYS A 98 6.059 -9.546 -8.837 1.00 55.33 H new ATOM 0 HZ3 LYS A 98 5.225 -10.935 -9.345 1.00 55.33 H new ATOM 1496 N ALA A 99 6.453 -13.504 -1.738 1.00 10.24 N ATOM 1497 CA ALA A 99 7.268 -14.523 -1.060 1.00 64.22 C ATOM 1498 C ALA A 99 6.423 -15.417 -0.139 1.00 35.42 C ATOM 1499 O ALA A 99 6.730 -16.593 0.062 1.00 61.34 O ATOM 1500 CB ALA A 99 8.384 -13.850 -0.268 1.00 23.14 C ATOM 0 H ALA A 99 6.748 -12.545 -1.553 1.00 10.24 H new ATOM 0 HA ALA A 99 7.702 -15.166 -1.826 1.00 64.22 H new ATOM 0 HB1 ALA A 99 8.984 -14.610 0.232 1.00 23.14 H new ATOM 0 HB2 ALA A 99 9.016 -13.276 -0.946 1.00 23.14 H new ATOM 0 HB3 ALA A 99 7.950 -13.182 0.476 1.00 23.14 H new ATOM 1506 N ILE A 100 5.361 -14.845 0.417 1.00 12.44 N ATOM 1507 CA ILE A 100 4.436 -15.581 1.290 1.00 70.03 C ATOM 1508 C ILE A 100 3.250 -16.164 0.498 1.00 3.22 C ATOM 1509 O ILE A 100 2.261 -16.617 1.082 1.00 61.22 O ATOM 1510 CB ILE A 100 3.892 -14.653 2.404 1.00 53.11 C ATOM 1511 CG1 ILE A 100 3.121 -13.480 1.770 1.00 53.02 C ATOM 1512 CG2 ILE A 100 5.038 -14.149 3.285 1.00 2.13 C ATOM 1513 CD1 ILE A 100 2.588 -12.473 2.763 1.00 24.13 C ATOM 0 H ILE A 100 5.113 -13.865 0.281 1.00 12.44 H new ATOM 0 HA ILE A 100 4.997 -16.404 1.733 1.00 70.03 H new ATOM 0 HB ILE A 100 3.207 -15.215 3.039 1.00 53.11 H new ATOM 0 HG12 ILE A 100 3.778 -12.967 1.068 1.00 53.02 H new ATOM 0 HG13 ILE A 100 2.287 -13.879 1.193 1.00 53.02 H new ATOM 0 HG21 ILE A 100 4.640 -13.498 4.063 1.00 2.13 H new ATOM 0 HG22 ILE A 100 5.543 -14.998 3.746 1.00 2.13 H new ATOM 0 HG23 ILE A 100 5.748 -13.592 2.674 1.00 2.13 H new ATOM 0 HD11 ILE A 100 2.059 -11.682 2.231 1.00 24.13 H new ATOM 0 HD12 ILE A 100 1.903 -12.968 3.451 1.00 24.13 H new ATOM 0 HD13 ILE A 100 3.417 -12.042 3.324 1.00 24.13 H new ATOM 1525 N GLY A 101 3.352 -16.144 -0.828 1.00 44.24 N ATOM 1526 CA GLY A 101 2.287 -16.671 -1.682 1.00 2.35 C ATOM 1527 C GLY A 101 1.009 -15.834 -1.657 1.00 20.33 C ATOM 1528 O GLY A 101 -0.095 -16.374 -1.742 1.00 5.11 O ATOM 0 H GLY A 101 4.155 -15.771 -1.334 1.00 44.24 H new ATOM 0 HA2 GLY A 101 2.652 -16.731 -2.707 1.00 2.35 H new ATOM 0 HA3 GLY A 101 2.051 -17.688 -1.368 1.00 2.35 H new ATOM 1532 N GLY A 102 1.153 -14.520 -1.526 1.00 50.34 N ATOM 1533 CA GLY A 102 -0.005 -13.631 -1.517 1.00 75.00 C ATOM 1534 C GLY A 102 -0.664 -13.479 -2.890 1.00 53.22 C ATOM 1535 O GLY A 102 0.006 -13.576 -3.919 1.00 32.00 O ATOM 0 H GLY A 102 2.052 -14.049 -1.425 1.00 50.34 H new ATOM 0 HA2 GLY A 102 -0.741 -14.012 -0.809 1.00 75.00 H new ATOM 0 HA3 GLY A 102 0.303 -12.649 -1.159 1.00 75.00 H new ATOM 1539 N PRO A 103 -1.993 -13.252 -2.937 1.00 32.43 N ATOM 1540 CA PRO A 103 -2.721 -13.036 -4.203 1.00 54.51 C ATOM 1541 C PRO A 103 -2.320 -11.721 -4.897 1.00 2.35 C ATOM 1542 O PRO A 103 -2.319 -10.654 -4.275 1.00 13.10 O ATOM 1543 CB PRO A 103 -4.201 -12.987 -3.768 1.00 72.33 C ATOM 1544 CG PRO A 103 -4.227 -13.552 -2.385 1.00 33.20 C ATOM 1545 CD PRO A 103 -2.896 -13.211 -1.777 1.00 61.34 C ATOM 0 HA PRO A 103 -2.504 -13.818 -4.931 1.00 54.51 H new ATOM 0 HB2 PRO A 103 -4.581 -11.966 -3.782 1.00 72.33 H new ATOM 0 HB3 PRO A 103 -4.828 -13.570 -4.442 1.00 72.33 H new ATOM 0 HG2 PRO A 103 -5.043 -13.124 -1.803 1.00 33.20 H new ATOM 0 HG3 PRO A 103 -4.382 -14.631 -2.406 1.00 33.20 H new ATOM 0 HD2 PRO A 103 -2.906 -12.228 -1.305 1.00 61.34 H new ATOM 0 HD3 PRO A 103 -2.604 -13.929 -1.011 1.00 61.34 H new ATOM 1553 N THR A 104 -1.984 -11.799 -6.186 1.00 62.50 N ATOM 1554 CA THR A 104 -1.561 -10.613 -6.953 1.00 34.34 C ATOM 1555 C THR A 104 -2.332 -10.473 -8.274 1.00 60.05 C ATOM 1556 O THR A 104 -2.778 -11.460 -8.862 1.00 73.53 O ATOM 1557 CB THR A 104 -0.046 -10.644 -7.283 1.00 65.21 C ATOM 1558 OG1 THR A 104 0.268 -11.786 -8.101 1.00 55.31 O ATOM 1559 CG2 THR A 104 0.794 -10.681 -6.010 1.00 1.32 C ATOM 0 H THR A 104 -1.995 -12.665 -6.724 1.00 62.50 H new ATOM 0 HA THR A 104 -1.780 -9.760 -6.310 1.00 34.34 H new ATOM 0 HB THR A 104 0.192 -9.732 -7.831 1.00 65.21 H new ATOM 0 HG1 THR A 104 1.227 -11.791 -8.302 1.00 55.31 H new ATOM 0 HG21 THR A 104 1.852 -10.702 -6.273 1.00 1.32 H new ATOM 0 HG22 THR A 104 0.586 -9.794 -5.411 1.00 1.32 H new ATOM 0 HG23 THR A 104 0.545 -11.573 -5.435 1.00 1.32 H new ATOM 1567 N GLU A 105 -2.492 -9.230 -8.722 1.00 52.12 N ATOM 1568 CA GLU A 105 -3.097 -8.929 -10.025 1.00 13.41 C ATOM 1569 C GLU A 105 -2.154 -8.077 -10.867 1.00 30.11 C ATOM 1570 O GLU A 105 -1.266 -7.409 -10.343 1.00 25.34 O ATOM 1571 CB GLU A 105 -4.421 -8.171 -9.855 1.00 41.04 C ATOM 1572 CG GLU A 105 -5.529 -8.988 -9.220 1.00 41.12 C ATOM 1573 CD GLU A 105 -6.756 -8.148 -8.895 1.00 62.55 C ATOM 1574 OE1 GLU A 105 -6.680 -7.307 -7.970 1.00 55.11 O ATOM 1575 OE2 GLU A 105 -7.791 -8.305 -9.574 1.00 60.10 O ATOM 0 H GLU A 105 -2.208 -8.403 -8.197 1.00 52.12 H new ATOM 0 HA GLU A 105 -3.286 -9.879 -10.525 1.00 13.41 H new ATOM 0 HB2 GLU A 105 -4.243 -7.285 -9.245 1.00 41.04 H new ATOM 0 HB3 GLU A 105 -4.756 -7.824 -10.832 1.00 41.04 H new ATOM 0 HG2 GLU A 105 -5.813 -9.796 -9.894 1.00 41.12 H new ATOM 0 HG3 GLU A 105 -5.157 -9.452 -8.306 1.00 41.12 H new ATOM 1582 N GLY A 106 -2.371 -8.073 -12.170 1.00 71.23 N ATOM 1583 CA GLY A 106 -1.551 -7.245 -13.049 1.00 0.23 C ATOM 1584 C GLY A 106 -1.425 -7.767 -14.471 1.00 42.24 C ATOM 1585 O GLY A 106 -2.002 -8.794 -14.832 1.00 21.24 O ATOM 0 H GLY A 106 -3.092 -8.620 -12.640 1.00 71.23 H new ATOM 0 HA2 GLY A 106 -1.974 -6.241 -13.080 1.00 0.23 H new ATOM 0 HA3 GLY A 106 -0.554 -7.157 -12.618 1.00 0.23 H new ATOM 1589 N ILE A 107 -0.656 -7.042 -15.274 1.00 43.42 N ATOM 1590 CA ILE A 107 -0.448 -7.365 -16.683 1.00 4.54 C ATOM 1591 C ILE A 107 0.858 -8.148 -16.880 1.00 23.22 C ATOM 1592 O ILE A 107 0.879 -9.192 -17.535 1.00 4.42 O ATOM 1593 CB ILE A 107 -0.404 -6.076 -17.538 1.00 44.12 C ATOM 1594 CG1 ILE A 107 -1.659 -5.219 -17.285 1.00 15.24 C ATOM 1595 CG2 ILE A 107 -0.260 -6.413 -19.019 1.00 3.50 C ATOM 1596 CD1 ILE A 107 -1.751 -3.984 -18.164 1.00 20.41 C ATOM 0 H ILE A 107 -0.156 -6.208 -14.966 1.00 43.42 H new ATOM 0 HA ILE A 107 -1.285 -7.984 -17.006 1.00 4.54 H new ATOM 0 HB ILE A 107 0.470 -5.495 -17.242 1.00 44.12 H new ATOM 0 HG12 ILE A 107 -2.545 -5.834 -17.446 1.00 15.24 H new ATOM 0 HG13 ILE A 107 -1.671 -4.910 -16.240 1.00 15.24 H new ATOM 0 HG21 ILE A 107 -0.231 -5.492 -19.601 1.00 3.50 H new ATOM 0 HG22 ILE A 107 0.663 -6.971 -19.177 1.00 3.50 H new ATOM 0 HG23 ILE A 107 -1.109 -7.018 -19.339 1.00 3.50 H new ATOM 0 HD11 ILE A 107 -2.662 -3.434 -17.925 1.00 20.41 H new ATOM 0 HD12 ILE A 107 -0.885 -3.346 -17.987 1.00 20.41 H new ATOM 0 HD13 ILE A 107 -1.772 -4.284 -19.212 1.00 20.41 H new ATOM 1608 N ILE A 108 1.951 -7.634 -16.311 1.00 61.42 N ATOM 1609 CA ILE A 108 3.243 -8.333 -16.365 1.00 22.52 C ATOM 1610 C ILE A 108 3.219 -9.599 -15.500 1.00 42.51 C ATOM 1611 O ILE A 108 3.980 -10.552 -15.729 1.00 22.23 O ATOM 1612 CB ILE A 108 4.412 -7.390 -15.962 1.00 23.22 C ATOM 1613 CG1 ILE A 108 4.826 -6.508 -17.155 1.00 4.04 C ATOM 1614 CG2 ILE A 108 5.609 -8.168 -15.424 1.00 21.42 C ATOM 1615 CD1 ILE A 108 3.725 -5.601 -17.670 1.00 24.32 C ATOM 0 H ILE A 108 1.971 -6.745 -15.811 1.00 61.42 H new ATOM 0 HA ILE A 108 3.414 -8.641 -17.397 1.00 22.52 H new ATOM 0 HB ILE A 108 4.055 -6.747 -15.157 1.00 23.22 H new ATOM 0 HG12 ILE A 108 5.678 -5.895 -16.861 1.00 4.04 H new ATOM 0 HG13 ILE A 108 5.162 -7.151 -17.969 1.00 4.04 H new ATOM 0 HG21 ILE A 108 6.404 -7.472 -15.154 1.00 21.42 H new ATOM 0 HG22 ILE A 108 5.308 -8.735 -14.543 1.00 21.42 H new ATOM 0 HG23 ILE A 108 5.972 -8.853 -16.190 1.00 21.42 H new ATOM 0 HD11 ILE A 108 4.099 -5.015 -18.509 1.00 24.32 H new ATOM 0 HD12 ILE A 108 2.879 -6.205 -17.998 1.00 24.32 H new ATOM 0 HD13 ILE A 108 3.404 -4.930 -16.873 1.00 24.32 H new