USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 806 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 40 GLN : amide:sc= -1.51! K(o=-4.8!,f=-3.3) USER MOD Set 1.2: A 48 ASN : amide:sc= -3.28! C(o=-4.8!,f=-3.3!) USER MOD Set 1.3: A 50 TYR OH : rot 174:sc= 0.0193 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 173:sc= 0.604 (180deg=0) USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.556 USER MOD Single : A 4 LYS NZ :NH3+ -139:sc= 0.847 (180deg=0.418) USER MOD Single : A 5 SER OG : rot 93:sc= 0.558 USER MOD Single : A 7 MET CE :methyl -139:sc= -0.896 (180deg=-2.71!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -122:sc= -1.34 USER MOD Single : A 103 THR OG1 : rot 130:sc= -0.157 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.22 X(o=0.22,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.751 -1.223 -2.499 1.00 0.00 N ATOM 19 CA ARG A 2 3.025 -2.399 -3.335 1.00 0.00 C ATOM 20 C ARG A 2 4.449 -2.921 -3.010 1.00 0.00 C ATOM 21 O ARG A 2 5.443 -2.417 -3.542 1.00 0.00 O ATOM 22 CB ARG A 2 2.861 -1.985 -4.837 1.00 0.00 C ATOM 23 CG ARG A 2 2.409 -3.090 -5.828 1.00 0.00 C ATOM 24 CD ARG A 2 3.479 -4.137 -6.191 1.00 0.00 C ATOM 25 NE ARG A 2 3.640 -5.198 -5.176 1.00 0.00 N ATOM 26 CZ ARG A 2 4.416 -6.286 -5.322 1.00 0.00 C ATOM 27 NH1 ARG A 2 5.154 -6.459 -6.413 1.00 0.00 N ATOM 28 NH2 ARG A 2 4.456 -7.194 -4.368 1.00 0.00 N ATOM 0 HA ARG A 2 2.326 -3.211 -3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.139 -1.170 -4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.815 -1.588 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.550 -3.608 -5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.068 -2.612 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.217 -4.595 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.435 -3.633 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 2 3.125 -5.098 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.137 -5.760 -7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.737 -7.290 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.899 -7.070 -3.522 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.044 -8.021 -4.475 1.00 0.00 H new ATOM 42 N LEU A 3 4.518 -3.899 -2.090 1.00 0.00 N ATOM 43 CA LEU A 3 5.791 -4.479 -1.585 1.00 0.00 C ATOM 44 C LEU A 3 5.664 -6.005 -1.366 1.00 0.00 C ATOM 45 O LEU A 3 4.616 -6.599 -1.665 1.00 0.00 O ATOM 46 CB LEU A 3 6.240 -3.752 -0.259 1.00 0.00 C ATOM 47 CG LEU A 3 5.115 -3.248 0.716 1.00 0.00 C ATOM 48 CD1 LEU A 3 4.143 -4.360 1.117 1.00 0.00 C ATOM 49 CD2 LEU A 3 5.706 -2.564 1.970 1.00 0.00 C ATOM 0 H LEU A 3 3.689 -4.318 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 3 6.560 -4.319 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.883 -4.435 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.851 -2.894 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 3 4.546 -2.504 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.387 -3.957 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.659 -4.759 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.690 -5.157 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.896 -2.230 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.334 -3.273 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.306 -1.706 1.668 1.00 0.00 H new ATOM 61 N LYS A 4 6.744 -6.620 -0.832 1.00 0.00 N ATOM 62 CA LYS A 4 6.731 -8.031 -0.390 1.00 0.00 C ATOM 63 C LYS A 4 5.808 -8.216 0.828 1.00 0.00 C ATOM 64 O LYS A 4 5.558 -7.273 1.581 1.00 0.00 O ATOM 65 CB LYS A 4 8.155 -8.518 -0.001 1.00 0.00 C ATOM 66 CG LYS A 4 9.201 -8.506 -1.133 1.00 0.00 C ATOM 67 CD LYS A 4 10.550 -9.130 -0.688 1.00 0.00 C ATOM 68 CE LYS A 4 11.182 -8.401 0.512 1.00 0.00 C ATOM 69 NZ LYS A 4 12.440 -9.043 0.965 1.00 0.00 N ATOM 0 H LYS A 4 7.642 -6.155 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 4 6.363 -8.620 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.522 -7.894 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.078 -9.534 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.813 -9.056 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.367 -7.480 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.392 -10.177 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.247 -9.111 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.384 -7.365 0.239 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.470 -8.380 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.469 -9.055 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.481 -10.018 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.254 -8.506 0.602 1.00 0.00 H new ATOM 83 N SER A 5 5.363 -9.459 1.023 1.00 0.00 N ATOM 84 CA SER A 5 4.576 -9.881 2.190 1.00 0.00 C ATOM 85 C SER A 5 5.397 -9.709 3.502 1.00 0.00 C ATOM 86 O SER A 5 4.854 -9.338 4.546 1.00 0.00 O ATOM 87 CB SER A 5 4.165 -11.349 1.972 1.00 0.00 C ATOM 88 OG SER A 5 3.481 -11.497 0.739 1.00 0.00 O ATOM 0 H SER A 5 5.541 -10.217 0.364 1.00 0.00 H new ATOM 0 HA SER A 5 3.686 -9.260 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.050 -11.986 1.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.526 -11.679 2.791 1.00 0.00 H new ATOM 0 HG SER A 5 4.121 -11.736 0.036 1.00 0.00 H new ATOM 94 N GLU A 6 6.717 -9.960 3.399 1.00 0.00 N ATOM 95 CA GLU A 6 7.703 -9.732 4.480 1.00 0.00 C ATOM 96 C GLU A 6 7.822 -8.239 4.786 1.00 0.00 C ATOM 97 O GLU A 6 7.810 -7.820 5.948 1.00 0.00 O ATOM 98 CB GLU A 6 9.080 -10.324 4.037 1.00 0.00 C ATOM 99 CG GLU A 6 10.297 -10.096 4.988 1.00 0.00 C ATOM 100 CD GLU A 6 11.063 -8.783 4.736 1.00 0.00 C ATOM 101 OE1 GLU A 6 11.791 -8.705 3.730 1.00 0.00 O ATOM 102 OE2 GLU A 6 10.933 -7.821 5.527 1.00 0.00 O ATOM 0 H GLU A 6 7.138 -10.334 2.548 1.00 0.00 H new ATOM 0 HA GLU A 6 7.374 -10.230 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.957 -11.398 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.330 -9.904 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.944 -10.104 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.988 -10.932 4.881 1.00 0.00 H new ATOM 109 N MET A 7 7.946 -7.443 3.721 1.00 0.00 N ATOM 110 CA MET A 7 8.104 -5.989 3.834 1.00 0.00 C ATOM 111 C MET A 7 6.798 -5.344 4.358 1.00 0.00 C ATOM 112 O MET A 7 6.824 -4.257 4.946 1.00 0.00 O ATOM 113 CB MET A 7 8.549 -5.397 2.470 1.00 0.00 C ATOM 114 CG MET A 7 8.986 -3.914 2.470 1.00 0.00 C ATOM 115 SD MET A 7 10.508 -3.571 3.392 1.00 0.00 S ATOM 116 CE MET A 7 9.928 -3.287 5.067 1.00 0.00 C ATOM 0 H MET A 7 7.940 -7.785 2.760 1.00 0.00 H new ATOM 0 HA MET A 7 8.885 -5.762 4.560 1.00 0.00 H new ATOM 0 HB2 MET A 7 9.377 -5.996 2.092 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.726 -5.510 1.764 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.122 -3.590 1.438 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.180 -3.312 2.890 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.474 -2.451 5.504 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.863 -3.056 5.049 1.00 0.00 H new ATOM 0 HE3 MET A 7 10.095 -4.182 5.666 1.00 0.00 H new ATOM 126 N PHE A 8 5.658 -6.054 4.175 1.00 0.00 N ATOM 127 CA PHE A 8 4.342 -5.585 4.622 1.00 0.00 C ATOM 128 C PHE A 8 4.217 -5.756 6.139 1.00 0.00 C ATOM 129 O PHE A 8 3.796 -4.828 6.826 1.00 0.00 O ATOM 130 CB PHE A 8 3.193 -6.341 3.896 1.00 0.00 C ATOM 131 CG PHE A 8 1.799 -5.776 4.208 1.00 0.00 C ATOM 132 CD1 PHE A 8 1.325 -4.635 3.554 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.976 -6.360 5.171 1.00 0.00 C ATOM 134 CE1 PHE A 8 0.084 -4.105 3.850 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.264 -5.825 5.459 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.710 -4.699 4.802 1.00 0.00 C ATOM 0 H PHE A 8 5.635 -6.964 3.714 1.00 0.00 H new ATOM 0 HA PHE A 8 4.254 -4.528 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.362 -6.297 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.223 -7.393 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.940 -4.159 2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.313 -7.241 5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.263 -3.223 3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.889 -6.293 6.205 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.680 -4.285 5.034 1.00 0.00 H new ATOM 146 N VAL A 9 4.589 -6.953 6.650 1.00 0.00 N ATOM 147 CA VAL A 9 4.475 -7.266 8.095 1.00 0.00 C ATOM 148 C VAL A 9 5.436 -6.412 8.928 1.00 0.00 C ATOM 149 O VAL A 9 5.080 -5.970 10.021 1.00 0.00 O ATOM 150 CB VAL A 9 4.693 -8.791 8.417 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.612 -9.645 7.740 1.00 0.00 C ATOM 152 CG2 VAL A 9 6.104 -9.283 8.036 1.00 0.00 C ATOM 0 H VAL A 9 4.969 -7.714 6.087 1.00 0.00 H new ATOM 0 HA VAL A 9 3.449 -7.022 8.370 1.00 0.00 H new ATOM 0 HB VAL A 9 4.606 -8.904 9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.779 -10.696 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.630 -9.344 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.658 -9.502 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.199 -10.341 8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.262 -9.142 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.850 -8.715 8.592 1.00 0.00 H new ATOM 162 N SER A 10 6.640 -6.172 8.376 1.00 0.00 N ATOM 163 CA SER A 10 7.652 -5.299 8.990 1.00 0.00 C ATOM 164 C SER A 10 7.083 -3.880 9.191 1.00 0.00 C ATOM 165 O SER A 10 7.224 -3.289 10.264 1.00 0.00 O ATOM 166 CB SER A 10 8.915 -5.262 8.108 1.00 0.00 C ATOM 167 OG SER A 10 9.972 -4.540 8.724 1.00 0.00 O ATOM 0 H SER A 10 6.937 -6.580 7.490 1.00 0.00 H new ATOM 0 HA SER A 10 7.922 -5.698 9.968 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.243 -6.281 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.674 -4.804 7.148 1.00 0.00 H new ATOM 0 HG SER A 10 10.755 -4.540 8.135 1.00 0.00 H new ATOM 173 N ALA A 11 6.387 -3.381 8.157 1.00 0.00 N ATOM 174 CA ALA A 11 5.729 -2.064 8.191 1.00 0.00 C ATOM 175 C ALA A 11 4.492 -2.073 9.121 1.00 0.00 C ATOM 176 O ALA A 11 4.255 -1.104 9.852 1.00 0.00 O ATOM 177 CB ALA A 11 5.348 -1.632 6.763 1.00 0.00 C ATOM 0 H ALA A 11 6.264 -3.878 7.275 1.00 0.00 H new ATOM 0 HA ALA A 11 6.432 -1.338 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.862 -0.657 6.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.247 -1.569 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.665 -2.364 6.331 1.00 0.00 H new ATOM 183 N LEU A 12 3.756 -3.203 9.117 1.00 0.00 N ATOM 184 CA LEU A 12 2.461 -3.369 9.831 1.00 0.00 C ATOM 185 C LEU A 12 2.663 -3.234 11.343 1.00 0.00 C ATOM 186 O LEU A 12 1.873 -2.589 12.042 1.00 0.00 O ATOM 187 CB LEU A 12 1.847 -4.755 9.464 1.00 0.00 C ATOM 188 CG LEU A 12 0.301 -4.961 9.645 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.128 -6.272 8.969 1.00 0.00 C ATOM 190 CD2 LEU A 12 -0.160 -4.955 11.126 1.00 0.00 C ATOM 0 H LEU A 12 4.043 -4.041 8.612 1.00 0.00 H new ATOM 0 HA LEU A 12 1.769 -2.586 9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.089 -4.959 8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.355 -5.511 10.063 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.184 -4.108 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.201 -6.413 9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.109 -6.228 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.404 -7.107 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.239 -5.103 11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.340 -5.759 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.095 -3.999 11.583 1.00 0.00 H new ATOM 202 N ILE A 13 3.744 -3.851 11.812 1.00 0.00 N ATOM 203 CA ILE A 13 4.139 -3.841 13.218 1.00 0.00 C ATOM 204 C ILE A 13 4.337 -2.392 13.724 1.00 0.00 C ATOM 205 O ILE A 13 3.792 -2.018 14.753 1.00 0.00 O ATOM 206 CB ILE A 13 5.420 -4.749 13.390 1.00 0.00 C ATOM 207 CG1 ILE A 13 5.009 -6.253 13.187 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.138 -4.527 14.745 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.148 -7.213 12.928 1.00 0.00 C ATOM 0 H ILE A 13 4.381 -4.381 11.216 1.00 0.00 H new ATOM 0 HA ILE A 13 3.349 -4.260 13.841 1.00 0.00 H new ATOM 0 HB ILE A 13 6.147 -4.464 12.630 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.471 -6.587 14.074 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.312 -6.311 12.351 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.010 -5.178 14.806 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.455 -3.487 14.823 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.454 -4.759 15.561 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.753 -8.221 12.803 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.676 -6.915 12.022 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.838 -7.196 13.772 1.00 0.00 H new ATOM 221 N ARG A 14 5.028 -1.563 12.934 1.00 0.00 N ATOM 222 CA ARG A 14 5.290 -0.149 13.297 1.00 0.00 C ATOM 223 C ARG A 14 4.016 0.725 13.177 1.00 0.00 C ATOM 224 O ARG A 14 3.935 1.768 13.837 1.00 0.00 O ATOM 225 CB ARG A 14 6.469 0.444 12.469 1.00 0.00 C ATOM 226 CG ARG A 14 7.886 -0.015 12.918 1.00 0.00 C ATOM 227 CD ARG A 14 8.144 -1.519 12.712 1.00 0.00 C ATOM 228 NE ARG A 14 9.488 -1.935 13.159 1.00 0.00 N ATOM 229 CZ ARG A 14 10.239 -2.894 12.589 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.836 -3.510 11.482 1.00 0.00 N ATOM 231 NH2 ARG A 14 11.408 -3.212 13.119 1.00 0.00 N ATOM 0 H ARG A 14 5.421 -1.840 12.034 1.00 0.00 H new ATOM 0 HA ARG A 14 5.587 -0.138 14.346 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.331 0.172 11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.421 1.532 12.525 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.634 0.552 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.019 0.226 13.973 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.392 -2.090 13.257 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.026 -1.762 11.656 1.00 0.00 H new ATOM 0 HE ARG A 14 9.880 -1.454 13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.946 -3.257 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.417 -4.235 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.736 -2.731 13.956 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.981 -3.939 12.691 1.00 0.00 H new ATOM 245 N ARG A 15 3.037 0.297 12.336 1.00 0.00 N ATOM 246 CA ARG A 15 1.727 0.989 12.212 1.00 0.00 C ATOM 247 C ARG A 15 0.999 1.003 13.571 1.00 0.00 C ATOM 248 O ARG A 15 0.487 2.044 14.006 1.00 0.00 O ATOM 249 CB ARG A 15 0.791 0.312 11.164 1.00 0.00 C ATOM 250 CG ARG A 15 1.316 0.253 9.718 1.00 0.00 C ATOM 251 CD ARG A 15 0.296 -0.386 8.737 1.00 0.00 C ATOM 252 NE ARG A 15 -0.893 0.466 8.506 1.00 0.00 N ATOM 253 CZ ARG A 15 -1.718 0.368 7.446 1.00 0.00 C ATOM 254 NH1 ARG A 15 -1.483 -0.514 6.481 1.00 0.00 N ATOM 255 NH2 ARG A 15 -2.776 1.159 7.358 1.00 0.00 N ATOM 0 H ARG A 15 3.131 -0.522 11.735 1.00 0.00 H new ATOM 0 HA ARG A 15 1.945 2.004 11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.586 -0.706 11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.160 0.844 11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.555 1.262 9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.243 -0.319 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.788 -0.580 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.025 -1.350 9.132 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.103 1.181 9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.670 -1.127 6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.116 -0.578 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.965 1.841 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.402 1.086 6.556 1.00 0.00 H new ATOM 269 N VAL A 16 0.966 -0.170 14.238 1.00 0.00 N ATOM 270 CA VAL A 16 0.232 -0.334 15.505 1.00 0.00 C ATOM 271 C VAL A 16 0.975 0.364 16.666 1.00 0.00 C ATOM 272 O VAL A 16 0.336 0.945 17.534 1.00 0.00 O ATOM 273 CB VAL A 16 -0.051 -1.849 15.855 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.596 -2.618 14.631 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.183 -2.554 16.424 1.00 0.00 C ATOM 0 H VAL A 16 1.439 -1.015 13.918 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.737 0.145 15.368 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.816 -1.849 16.632 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.780 -3.657 14.906 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.528 -2.160 14.299 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.135 -2.581 13.823 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.938 -3.592 16.649 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.990 -2.522 15.692 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.501 -2.051 17.337 1.00 0.00 H new ATOM 285 N PHE A 17 2.334 0.316 16.656 1.00 0.00 N ATOM 286 CA PHE A 17 3.182 0.991 17.672 1.00 0.00 C ATOM 287 C PHE A 17 3.060 2.524 17.564 1.00 0.00 C ATOM 288 O PHE A 17 3.222 3.240 18.561 1.00 0.00 O ATOM 289 CB PHE A 17 4.667 0.527 17.573 1.00 0.00 C ATOM 290 CG PHE A 17 4.946 -0.834 18.227 1.00 0.00 C ATOM 291 CD1 PHE A 17 5.075 -0.944 19.611 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.075 -1.996 17.474 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.326 -2.164 20.211 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.324 -3.215 18.075 1.00 0.00 C ATOM 295 CZ PHE A 17 5.450 -3.299 19.443 1.00 0.00 C ATOM 0 H PHE A 17 2.868 -0.188 15.948 1.00 0.00 H new ATOM 0 HA PHE A 17 2.817 0.699 18.657 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.951 0.477 16.522 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.303 1.279 18.040 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.977 -0.061 20.225 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.979 -1.945 16.400 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.425 -2.226 21.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.420 -4.104 17.470 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.645 -4.252 19.912 1.00 0.00 H new ATOM 305 N ALA A 18 2.768 3.012 16.344 1.00 0.00 N ATOM 306 CA ALA A 18 2.436 4.431 16.100 1.00 0.00 C ATOM 307 C ALA A 18 1.089 4.807 16.755 1.00 0.00 C ATOM 308 O ALA A 18 0.875 5.957 17.135 1.00 0.00 O ATOM 309 CB ALA A 18 2.387 4.702 14.593 1.00 0.00 C ATOM 0 H ALA A 18 2.755 2.437 15.501 1.00 0.00 H new ATOM 0 HA ALA A 18 3.213 5.048 16.551 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.142 5.750 14.420 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.358 4.479 14.151 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.626 4.071 14.134 1.00 0.00 H new ATOM 315 N ALA A 19 0.180 3.819 16.856 1.00 0.00 N ATOM 316 CA ALA A 19 -1.127 3.972 17.539 1.00 0.00 C ATOM 317 C ALA A 19 -1.046 3.547 19.029 1.00 0.00 C ATOM 318 O ALA A 19 -2.068 3.513 19.726 1.00 0.00 O ATOM 319 CB ALA A 19 -2.198 3.154 16.790 1.00 0.00 C ATOM 0 H ALA A 19 0.328 2.888 16.466 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.405 5.026 17.523 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.159 3.266 17.292 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.280 3.515 15.765 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.913 2.102 16.783 1.00 0.00 H new ATOM 325 N GLY A 20 0.176 3.208 19.501 1.00 0.00 N ATOM 326 CA GLY A 20 0.417 2.835 20.906 1.00 0.00 C ATOM 327 C GLY A 20 0.220 1.346 21.187 1.00 0.00 C ATOM 328 O GLY A 20 0.532 0.875 22.289 1.00 0.00 O ATOM 0 H GLY A 20 1.014 3.187 18.920 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.434 3.116 21.178 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.254 3.409 21.546 1.00 0.00 H new ATOM 332 N GLY A 21 -0.304 0.613 20.190 1.00 0.00 N ATOM 333 CA GLY A 21 -0.533 -0.826 20.296 1.00 0.00 C ATOM 334 C GLY A 21 0.738 -1.664 20.164 1.00 0.00 C ATOM 335 O GLY A 21 1.829 -1.134 19.945 1.00 0.00 O ATOM 0 H GLY A 21 -0.579 1.008 19.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.000 -1.040 21.257 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.239 -1.130 19.523 1.00 0.00 H new ATOM 339 N PHE A 22 0.569 -2.987 20.255 1.00 0.00 N ATOM 340 CA PHE A 22 1.675 -3.971 20.277 1.00 0.00 C ATOM 341 C PHE A 22 1.609 -4.847 19.021 1.00 0.00 C ATOM 342 O PHE A 22 0.541 -4.989 18.435 1.00 0.00 O ATOM 343 CB PHE A 22 1.573 -4.847 21.562 1.00 0.00 C ATOM 344 CG PHE A 22 2.614 -5.972 21.652 1.00 0.00 C ATOM 345 CD1 PHE A 22 3.962 -5.680 21.862 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.247 -7.315 21.501 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.905 -6.687 21.916 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.194 -8.321 21.560 1.00 0.00 C ATOM 349 CZ PHE A 22 4.524 -8.006 21.766 1.00 0.00 C ATOM 0 H PHE A 22 -0.353 -3.419 20.317 1.00 0.00 H new ATOM 0 HA PHE A 22 2.631 -3.447 20.288 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.677 -4.202 22.435 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.577 -5.287 21.608 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.272 -4.653 21.984 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.210 -7.569 21.336 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.945 -6.442 22.076 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.895 -9.352 21.445 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.265 -8.791 21.810 1.00 0.00 H new ATOM 359 N ALA A 23 2.754 -5.416 18.608 1.00 0.00 N ATOM 360 CA ALA A 23 2.825 -6.355 17.478 1.00 0.00 C ATOM 361 C ALA A 23 4.059 -7.250 17.576 1.00 0.00 C ATOM 362 O ALA A 23 5.067 -6.865 18.187 1.00 0.00 O ATOM 363 CB ALA A 23 2.819 -5.622 16.137 1.00 0.00 C ATOM 0 H ALA A 23 3.656 -5.237 19.049 1.00 0.00 H new ATOM 0 HA ALA A 23 1.935 -6.982 17.531 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.873 -6.348 15.325 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.902 -5.041 16.044 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.679 -4.954 16.084 1.00 0.00 H new ATOM 369 N ALA A 24 3.960 -8.433 16.939 1.00 0.00 N ATOM 370 CA ALA A 24 5.040 -9.420 16.878 1.00 0.00 C ATOM 371 C ALA A 24 4.700 -10.475 15.819 1.00 0.00 C ATOM 372 O ALA A 24 3.654 -11.130 15.906 1.00 0.00 O ATOM 373 CB ALA A 24 5.261 -10.074 18.256 1.00 0.00 C ATOM 0 H ALA A 24 3.115 -8.727 16.449 1.00 0.00 H new ATOM 0 HA ALA A 24 5.968 -8.921 16.599 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.068 -10.804 18.187 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.526 -9.308 18.984 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.346 -10.574 18.572 1.00 0.00 H new ATOM 379 N VAL A 25 5.575 -10.618 14.808 1.00 0.00 N ATOM 380 CA VAL A 25 5.409 -11.625 13.750 1.00 0.00 C ATOM 381 C VAL A 25 5.830 -13.025 14.277 1.00 0.00 C ATOM 382 O VAL A 25 7.016 -13.368 14.336 1.00 0.00 O ATOM 383 CB VAL A 25 6.160 -11.213 12.417 1.00 0.00 C ATOM 384 CG1 VAL A 25 7.643 -10.828 12.660 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.030 -12.314 11.334 1.00 0.00 C ATOM 0 H VAL A 25 6.411 -10.042 14.703 1.00 0.00 H new ATOM 0 HA VAL A 25 4.354 -11.679 13.482 1.00 0.00 H new ATOM 0 HB VAL A 25 5.665 -10.316 12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.108 -10.555 11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.692 -9.982 13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.173 -11.676 13.093 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.556 -12.001 10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.466 -13.242 11.704 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.977 -12.474 11.103 1.00 0.00 H new ATOM 395 N GLU A 26 4.811 -13.791 14.712 1.00 0.00 N ATOM 396 CA GLU A 26 4.957 -15.143 15.280 1.00 0.00 C ATOM 397 C GLU A 26 5.476 -16.138 14.227 1.00 0.00 C ATOM 398 O GLU A 26 6.582 -16.675 14.366 1.00 0.00 O ATOM 399 CB GLU A 26 3.592 -15.629 15.837 1.00 0.00 C ATOM 400 CG GLU A 26 2.987 -14.727 16.929 1.00 0.00 C ATOM 401 CD GLU A 26 1.641 -15.253 17.451 1.00 0.00 C ATOM 402 OE1 GLU A 26 1.638 -16.176 18.297 1.00 0.00 O ATOM 403 OE2 GLU A 26 0.586 -14.770 17.005 1.00 0.00 O ATOM 0 H GLU A 26 3.841 -13.478 14.677 1.00 0.00 H new ATOM 0 HA GLU A 26 5.686 -15.095 16.089 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.884 -15.703 15.012 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.716 -16.633 16.242 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.689 -14.648 17.759 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.850 -13.722 16.530 1.00 0.00 H new ATOM 410 N LYS A 27 4.669 -16.381 13.175 1.00 0.00 N ATOM 411 CA LYS A 27 5.019 -17.331 12.102 1.00 0.00 C ATOM 412 C LYS A 27 5.601 -16.581 10.898 1.00 0.00 C ATOM 413 O LYS A 27 5.177 -15.462 10.591 1.00 0.00 O ATOM 414 CB LYS A 27 3.777 -18.157 11.675 1.00 0.00 C ATOM 415 CG LYS A 27 4.032 -19.172 10.534 1.00 0.00 C ATOM 416 CD LYS A 27 2.802 -20.041 10.192 1.00 0.00 C ATOM 417 CE LYS A 27 3.034 -20.953 8.972 1.00 0.00 C ATOM 418 NZ LYS A 27 4.169 -21.894 9.145 1.00 0.00 N ATOM 0 H LYS A 27 3.764 -15.928 13.046 1.00 0.00 H new ATOM 0 HA LYS A 27 5.773 -18.019 12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.401 -18.696 12.544 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.991 -17.469 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.343 -18.631 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.859 -19.823 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.546 -20.655 11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.948 -19.392 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.126 -21.523 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.216 -20.333 8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.197 -22.555 8.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.060 -21.359 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.046 -22.427 10.029 1.00 0.00 H new ATOM 432 N LYS A 28 6.566 -17.217 10.223 1.00 0.00 N ATOM 433 CA LYS A 28 7.210 -16.683 9.019 1.00 0.00 C ATOM 434 C LYS A 28 7.040 -17.685 7.863 1.00 0.00 C ATOM 435 O LYS A 28 7.173 -18.894 8.064 1.00 0.00 O ATOM 436 CB LYS A 28 8.714 -16.417 9.302 1.00 0.00 C ATOM 437 CG LYS A 28 9.494 -15.865 8.093 1.00 0.00 C ATOM 438 CD LYS A 28 10.952 -15.475 8.423 1.00 0.00 C ATOM 439 CE LYS A 28 11.663 -14.809 7.228 1.00 0.00 C ATOM 440 NZ LYS A 28 13.052 -14.407 7.555 1.00 0.00 N ATOM 0 H LYS A 28 6.926 -18.130 10.502 1.00 0.00 H new ATOM 0 HA LYS A 28 6.742 -15.740 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.798 -15.711 10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.181 -17.346 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.497 -16.614 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.972 -14.991 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.960 -14.794 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.505 -16.365 8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.676 -15.499 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.097 -13.932 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.490 -13.964 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.041 -13.728 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.601 -15.247 7.830 1.00 0.00 H new ATOM 454 N GLY A 29 6.729 -17.168 6.667 1.00 0.00 N ATOM 455 CA GLY A 29 6.672 -17.972 5.443 1.00 0.00 C ATOM 456 C GLY A 29 7.525 -17.363 4.340 1.00 0.00 C ATOM 457 O GLY A 29 8.663 -16.949 4.597 1.00 0.00 O ATOM 0 H GLY A 29 6.510 -16.182 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.016 -18.984 5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.639 -18.050 5.105 1.00 0.00 H new ATOM 461 N ALA A 30 6.969 -17.289 3.113 1.00 0.00 N ATOM 462 CA ALA A 30 7.678 -16.764 1.925 1.00 0.00 C ATOM 463 C ALA A 30 7.630 -15.221 1.886 1.00 0.00 C ATOM 464 O ALA A 30 6.580 -14.626 2.143 1.00 0.00 O ATOM 465 CB ALA A 30 7.085 -17.366 0.637 1.00 0.00 C ATOM 0 H ALA A 30 6.015 -17.592 2.917 1.00 0.00 H new ATOM 0 HA ALA A 30 8.725 -17.061 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.617 -16.970 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.188 -18.451 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.030 -17.104 0.565 1.00 0.00 H new ATOM 471 N GLU A 31 8.772 -14.588 1.542 1.00 0.00 N ATOM 472 CA GLU A 31 8.921 -13.119 1.577 1.00 0.00 C ATOM 473 C GLU A 31 7.958 -12.414 0.604 1.00 0.00 C ATOM 474 O GLU A 31 7.189 -11.563 1.016 1.00 0.00 O ATOM 475 CB GLU A 31 10.382 -12.689 1.272 1.00 0.00 C ATOM 476 CG GLU A 31 11.416 -13.127 2.325 1.00 0.00 C ATOM 477 CD GLU A 31 12.815 -12.557 2.039 1.00 0.00 C ATOM 478 OE1 GLU A 31 13.116 -11.429 2.488 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.609 -13.217 1.339 1.00 0.00 O ATOM 0 H GLU A 31 9.612 -15.078 1.234 1.00 0.00 H new ATOM 0 HA GLU A 31 8.666 -12.810 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.673 -13.100 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.415 -11.603 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.088 -12.801 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.467 -14.215 2.350 1.00 0.00 H new ATOM 486 N ALA A 32 8.016 -12.771 -0.684 1.00 0.00 N ATOM 487 CA ALA A 32 7.208 -12.111 -1.732 1.00 0.00 C ATOM 488 C ALA A 32 5.854 -12.821 -1.937 1.00 0.00 C ATOM 489 O ALA A 32 4.794 -12.209 -1.768 1.00 0.00 O ATOM 490 CB ALA A 32 8.010 -12.047 -3.041 1.00 0.00 C ATOM 0 H ALA A 32 8.616 -13.518 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 32 6.984 -11.095 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.412 -11.560 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.926 -11.478 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.263 -13.057 -3.363 1.00 0.00 H new ATOM 496 N ALA A 33 5.904 -14.129 -2.263 1.00 0.00 N ATOM 497 CA ALA A 33 4.706 -14.916 -2.653 1.00 0.00 C ATOM 498 C ALA A 33 3.953 -15.517 -1.446 1.00 0.00 C ATOM 499 O ALA A 33 2.985 -16.268 -1.636 1.00 0.00 O ATOM 500 CB ALA A 33 5.114 -16.027 -3.637 1.00 0.00 C ATOM 0 H ALA A 33 6.768 -14.671 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 33 4.013 -14.226 -3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.233 -16.603 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.558 -15.580 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.840 -16.686 -3.161 1.00 0.00 H new ATOM 506 N GLY A 34 4.392 -15.189 -0.217 1.00 0.00 N ATOM 507 CA GLY A 34 3.736 -15.687 0.998 1.00 0.00 C ATOM 508 C GLY A 34 2.396 -15.014 1.264 1.00 0.00 C ATOM 509 O GLY A 34 2.167 -13.892 0.810 1.00 0.00 O ATOM 0 H GLY A 34 5.195 -14.584 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.586 -16.763 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.394 -15.527 1.852 1.00 0.00 H new ATOM 513 N ALA A 35 1.493 -15.716 1.965 1.00 0.00 N ATOM 514 CA ALA A 35 0.231 -15.128 2.463 1.00 0.00 C ATOM 515 C ALA A 35 0.494 -14.454 3.825 1.00 0.00 C ATOM 516 O ALA A 35 1.536 -14.687 4.431 1.00 0.00 O ATOM 517 CB ALA A 35 -0.853 -16.215 2.574 1.00 0.00 C ATOM 0 H ALA A 35 1.611 -16.701 2.204 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.130 -14.374 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.778 -15.770 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.028 -16.656 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.522 -16.989 3.266 1.00 0.00 H new ATOM 523 N ILE A 36 -0.440 -13.612 4.301 1.00 0.00 N ATOM 524 CA ILE A 36 -0.310 -12.915 5.603 1.00 0.00 C ATOM 525 C ILE A 36 -1.645 -13.023 6.352 1.00 0.00 C ATOM 526 O ILE A 36 -2.682 -12.616 5.827 1.00 0.00 O ATOM 527 CB ILE A 36 0.052 -11.381 5.482 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.316 -11.120 4.616 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.231 -10.744 6.889 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.585 -11.744 5.145 1.00 0.00 C ATOM 0 H ILE A 36 -1.302 -13.393 3.802 1.00 0.00 H new ATOM 0 HA ILE A 36 0.512 -13.400 6.129 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.788 -10.909 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.134 -11.497 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.465 -10.044 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.480 -9.688 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.696 -10.843 7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.035 -11.254 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.413 -11.508 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.798 -11.349 6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.462 -12.825 5.203 1.00 0.00 H new ATOM 542 N PHE A 37 -1.598 -13.570 7.566 1.00 0.00 N ATOM 543 CA PHE A 37 -2.749 -13.668 8.464 1.00 0.00 C ATOM 544 C PHE A 37 -2.402 -12.976 9.787 1.00 0.00 C ATOM 545 O PHE A 37 -1.532 -13.424 10.528 1.00 0.00 O ATOM 546 CB PHE A 37 -3.158 -15.152 8.677 1.00 0.00 C ATOM 547 CG PHE A 37 -3.906 -15.759 7.479 1.00 0.00 C ATOM 548 CD1 PHE A 37 -3.228 -16.127 6.316 1.00 0.00 C ATOM 549 CD2 PHE A 37 -5.288 -15.948 7.514 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.900 -16.663 5.236 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.959 -16.485 6.433 1.00 0.00 C ATOM 552 CZ PHE A 37 -5.267 -16.842 5.294 1.00 0.00 C ATOM 0 H PHE A 37 -0.744 -13.965 7.960 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.610 -13.167 8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.263 -15.743 8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.789 -15.223 9.563 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.158 -15.990 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.841 -15.670 8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.356 -16.942 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.029 -16.626 6.479 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.794 -17.261 4.450 1.00 0.00 H new ATOM 562 N VAL A 38 -3.090 -11.861 10.060 1.00 0.00 N ATOM 563 CA VAL A 38 -2.850 -11.019 11.241 1.00 0.00 C ATOM 564 C VAL A 38 -4.020 -11.170 12.207 1.00 0.00 C ATOM 565 O VAL A 38 -5.171 -11.089 11.808 1.00 0.00 O ATOM 566 CB VAL A 38 -2.678 -9.511 10.835 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.401 -8.606 12.062 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.556 -9.365 9.795 1.00 0.00 C ATOM 0 H VAL A 38 -3.838 -11.513 9.461 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.927 -11.343 11.722 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.619 -9.180 10.395 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.289 -7.573 11.734 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.234 -8.676 12.762 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.485 -8.932 12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.447 -8.315 9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.619 -9.729 10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.805 -9.947 8.907 1.00 0.00 H new ATOM 578 N ARG A 39 -3.705 -11.393 13.475 1.00 0.00 N ATOM 579 CA ARG A 39 -4.696 -11.559 14.534 1.00 0.00 C ATOM 580 C ARG A 39 -4.686 -10.322 15.451 1.00 0.00 C ATOM 581 O ARG A 39 -3.675 -10.025 16.084 1.00 0.00 O ATOM 582 CB ARG A 39 -4.402 -12.872 15.319 1.00 0.00 C ATOM 583 CG ARG A 39 -2.940 -13.034 15.785 1.00 0.00 C ATOM 584 CD ARG A 39 -2.659 -14.371 16.484 1.00 0.00 C ATOM 585 NE ARG A 39 -3.450 -14.544 17.720 1.00 0.00 N ATOM 586 CZ ARG A 39 -2.949 -14.882 18.920 1.00 0.00 C ATOM 587 NH1 ARG A 39 -1.644 -15.076 19.082 1.00 0.00 N ATOM 588 NH2 ARG A 39 -3.762 -15.022 19.956 1.00 0.00 N ATOM 0 H ARG A 39 -2.742 -11.465 13.804 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.695 -11.644 14.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.053 -12.910 16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.664 -13.722 14.689 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.281 -12.940 14.922 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.693 -12.219 16.466 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.880 -15.189 15.798 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.598 -14.435 16.724 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.457 -14.395 17.657 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.010 -14.969 18.290 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.276 -15.332 19.998 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.765 -14.873 19.841 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.386 -15.279 20.869 1.00 0.00 H new ATOM 602 N GLN A 40 -5.809 -9.576 15.481 1.00 0.00 N ATOM 603 CA GLN A 40 -5.982 -8.435 16.411 1.00 0.00 C ATOM 604 C GLN A 40 -6.385 -8.956 17.793 1.00 0.00 C ATOM 605 O GLN A 40 -6.997 -10.011 17.915 1.00 0.00 O ATOM 606 CB GLN A 40 -7.016 -7.383 15.864 1.00 0.00 C ATOM 607 CG GLN A 40 -7.811 -6.593 16.934 1.00 0.00 C ATOM 608 CD GLN A 40 -8.623 -5.415 16.396 1.00 0.00 C ATOM 609 OE1 GLN A 40 -9.747 -5.579 15.928 1.00 0.00 O ATOM 610 NE2 GLN A 40 -8.098 -4.213 16.548 1.00 0.00 N ATOM 0 H GLN A 40 -6.611 -9.741 14.873 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.030 -7.912 16.497 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.481 -6.670 15.237 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.727 -7.902 15.221 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.488 -7.280 17.442 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.112 -6.221 17.683 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.162 -4.111 16.940 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.629 -3.386 16.274 1.00 0.00 H new ATOM 619 N ARG A 41 -5.983 -8.215 18.823 1.00 0.00 N ATOM 620 CA ARG A 41 -6.360 -8.457 20.202 1.00 0.00 C ATOM 621 C ARG A 41 -6.866 -7.149 20.792 1.00 0.00 C ATOM 622 O ARG A 41 -6.143 -6.159 20.806 1.00 0.00 O ATOM 623 CB ARG A 41 -5.151 -8.954 21.012 1.00 0.00 C ATOM 624 CG ARG A 41 -5.476 -9.239 22.491 1.00 0.00 C ATOM 625 CD ARG A 41 -4.271 -9.738 23.298 1.00 0.00 C ATOM 626 NE ARG A 41 -3.767 -11.033 22.810 1.00 0.00 N ATOM 627 CZ ARG A 41 -4.166 -12.238 23.248 1.00 0.00 C ATOM 628 NH1 ARG A 41 -5.153 -12.362 24.132 1.00 0.00 N ATOM 629 NH2 ARG A 41 -3.580 -13.323 22.782 1.00 0.00 N ATOM 0 H ARG A 41 -5.369 -7.408 18.712 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.136 -9.222 20.242 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.765 -9.863 20.552 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.358 -8.208 20.960 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.860 -8.329 22.952 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.271 -9.983 22.543 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.472 -8.998 23.248 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.553 -9.833 24.347 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.056 -11.013 22.079 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.623 -11.531 24.491 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.439 -13.288 24.450 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.830 -13.243 22.095 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.876 -14.243 23.109 1.00 0.00 H new ATOM 643 N LEU A 42 -8.109 -7.145 21.238 1.00 0.00 N ATOM 644 CA LEU A 42 -8.688 -6.033 21.977 1.00 0.00 C ATOM 645 C LEU A 42 -8.291 -6.191 23.452 1.00 0.00 C ATOM 646 O LEU A 42 -8.335 -7.309 23.998 1.00 0.00 O ATOM 647 CB LEU A 42 -10.242 -6.000 21.819 1.00 0.00 C ATOM 648 CG LEU A 42 -10.811 -5.840 20.363 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.167 -4.666 19.622 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.704 -7.143 19.551 1.00 0.00 C ATOM 0 H LEU A 42 -8.754 -7.922 21.097 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.310 -5.089 21.585 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.644 -6.921 22.240 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.626 -5.179 22.424 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.872 -5.614 20.469 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.590 -4.592 18.620 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.361 -3.742 20.166 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.091 -4.827 19.551 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.110 -6.983 18.552 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.658 -7.439 19.475 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.269 -7.930 20.050 1.00 0.00 H new ATOM 662 N ARG A 43 -7.919 -5.067 24.086 1.00 0.00 N ATOM 663 CA ARG A 43 -7.585 -5.004 25.529 1.00 0.00 C ATOM 664 C ARG A 43 -8.778 -5.428 26.423 1.00 0.00 C ATOM 665 O ARG A 43 -8.613 -5.672 27.624 1.00 0.00 O ATOM 666 CB ARG A 43 -7.057 -3.576 25.885 1.00 0.00 C ATOM 667 CG ARG A 43 -7.929 -2.370 25.418 1.00 0.00 C ATOM 668 CD ARG A 43 -9.172 -2.108 26.282 1.00 0.00 C ATOM 669 NE ARG A 43 -10.001 -1.017 25.746 1.00 0.00 N ATOM 670 CZ ARG A 43 -11.120 -0.553 26.308 1.00 0.00 C ATOM 671 NH1 ARG A 43 -11.576 -1.056 27.445 1.00 0.00 N ATOM 672 NH2 ARG A 43 -11.783 0.426 25.730 1.00 0.00 N ATOM 0 H ARG A 43 -7.839 -4.167 23.613 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.792 -5.724 25.733 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.944 -3.515 26.967 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.062 -3.464 25.454 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.311 -1.472 25.412 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.247 -2.545 24.390 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.768 -3.018 26.344 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.861 -1.861 27.297 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.697 -0.580 24.876 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.070 -1.812 27.907 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.433 -0.688 27.858 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.442 0.827 24.856 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.638 0.784 26.156 1.00 0.00 H new ATOM 686 N ASP A 44 -9.969 -5.477 25.804 1.00 0.00 N ATOM 687 CA ASP A 44 -11.223 -5.898 26.429 1.00 0.00 C ATOM 688 C ASP A 44 -11.200 -7.402 26.741 1.00 0.00 C ATOM 689 O ASP A 44 -11.638 -7.831 27.816 1.00 0.00 O ATOM 690 CB ASP A 44 -12.397 -5.562 25.473 1.00 0.00 C ATOM 691 CG ASP A 44 -12.413 -4.080 25.058 1.00 0.00 C ATOM 692 OD1 ASP A 44 -11.685 -3.715 24.110 1.00 0.00 O ATOM 693 OD2 ASP A 44 -13.134 -3.272 25.678 1.00 0.00 O ATOM 0 H ASP A 44 -10.084 -5.216 24.825 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.352 -5.366 27.371 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.325 -6.185 24.581 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.340 -5.810 25.960 1.00 0.00 H new ATOM 698 N GLY A 45 -10.677 -8.194 25.788 1.00 0.00 N ATOM 699 CA GLY A 45 -10.607 -9.652 25.934 1.00 0.00 C ATOM 700 C GLY A 45 -10.820 -10.402 24.626 1.00 0.00 C ATOM 701 O GLY A 45 -10.535 -11.595 24.551 1.00 0.00 O ATOM 0 H GLY A 45 -10.297 -7.844 24.908 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.634 -9.922 26.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.358 -9.974 26.655 1.00 0.00 H new ATOM 705 N ARG A 46 -11.339 -9.717 23.598 1.00 0.00 N ATOM 706 CA ARG A 46 -11.699 -10.351 22.312 1.00 0.00 C ATOM 707 C ARG A 46 -10.507 -10.354 21.348 1.00 0.00 C ATOM 708 O ARG A 46 -9.552 -9.606 21.538 1.00 0.00 O ATOM 709 CB ARG A 46 -12.895 -9.597 21.673 1.00 0.00 C ATOM 710 CG ARG A 46 -14.088 -9.356 22.626 1.00 0.00 C ATOM 711 CD ARG A 46 -14.716 -10.663 23.143 1.00 0.00 C ATOM 712 NE ARG A 46 -15.810 -10.398 24.102 1.00 0.00 N ATOM 713 CZ ARG A 46 -17.045 -10.920 24.057 1.00 0.00 C ATOM 714 NH1 ARG A 46 -17.420 -11.717 23.061 1.00 0.00 N ATOM 715 NH2 ARG A 46 -17.908 -10.624 25.016 1.00 0.00 N ATOM 0 H ARG A 46 -11.522 -8.714 23.629 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.983 -11.386 22.506 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.544 -8.634 21.301 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.245 -10.163 20.810 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.754 -8.759 23.475 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.849 -8.774 22.107 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.100 -11.240 22.302 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.949 -11.271 23.623 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.606 -9.758 24.870 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.764 -11.942 22.313 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.364 -12.104 23.045 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.631 -10.005 25.778 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.850 -11.015 24.993 1.00 0.00 H new ATOM 729 N GLU A 47 -10.600 -11.188 20.305 1.00 0.00 N ATOM 730 CA GLU A 47 -9.609 -11.278 19.216 1.00 0.00 C ATOM 731 C GLU A 47 -10.314 -11.121 17.853 1.00 0.00 C ATOM 732 O GLU A 47 -11.544 -11.106 17.766 1.00 0.00 O ATOM 733 CB GLU A 47 -8.803 -12.633 19.251 1.00 0.00 C ATOM 734 CG GLU A 47 -7.531 -12.656 20.149 1.00 0.00 C ATOM 735 CD GLU A 47 -7.792 -12.814 21.663 1.00 0.00 C ATOM 736 OE1 GLU A 47 -7.968 -13.960 22.120 1.00 0.00 O ATOM 737 OE2 GLU A 47 -7.784 -11.808 22.403 1.00 0.00 O ATOM 0 H GLU A 47 -11.381 -11.834 20.189 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.892 -10.470 19.359 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.475 -13.422 19.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.507 -12.881 18.232 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.890 -13.474 19.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.976 -11.732 19.988 1.00 0.00 H new ATOM 744 N ASN A 48 -9.497 -10.987 16.803 1.00 0.00 N ATOM 745 CA ASN A 48 -9.922 -10.934 15.384 1.00 0.00 C ATOM 746 C ASN A 48 -8.860 -11.656 14.545 1.00 0.00 C ATOM 747 O ASN A 48 -7.738 -11.850 15.011 1.00 0.00 O ATOM 748 CB ASN A 48 -10.045 -9.473 14.870 1.00 0.00 C ATOM 749 CG ASN A 48 -11.216 -8.667 15.432 1.00 0.00 C ATOM 750 OD1 ASN A 48 -12.242 -8.502 14.786 1.00 0.00 O ATOM 751 ND2 ASN A 48 -11.074 -8.173 16.639 1.00 0.00 N ATOM 0 H ASN A 48 -8.486 -10.909 16.912 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.901 -11.406 15.297 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.120 -8.946 15.104 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.132 -9.496 13.784 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.830 -7.635 17.062 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.207 -8.327 17.154 1.00 0.00 H new ATOM 758 N LEU A 49 -9.205 -12.034 13.312 1.00 0.00 N ATOM 759 CA LEU A 49 -8.258 -12.629 12.349 1.00 0.00 C ATOM 760 C LEU A 49 -8.478 -11.939 11.008 1.00 0.00 C ATOM 761 O LEU A 49 -9.607 -11.601 10.662 1.00 0.00 O ATOM 762 CB LEU A 49 -8.438 -14.179 12.225 1.00 0.00 C ATOM 763 CG LEU A 49 -7.123 -15.032 12.202 1.00 0.00 C ATOM 764 CD1 LEU A 49 -7.430 -16.536 12.269 1.00 0.00 C ATOM 765 CD2 LEU A 49 -6.233 -14.714 10.980 1.00 0.00 C ATOM 0 H LEU A 49 -10.152 -11.938 12.946 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.236 -12.477 12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.052 -14.520 13.059 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.996 -14.387 11.312 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.560 -14.754 13.093 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.497 -17.099 12.251 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.969 -16.757 13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.042 -16.821 11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.336 -15.332 11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.785 -14.924 10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.950 -13.662 11.000 1.00 0.00 H new ATOM 777 N TYR A 50 -7.384 -11.701 10.292 1.00 0.00 N ATOM 778 CA TYR A 50 -7.373 -11.026 8.992 1.00 0.00 C ATOM 779 C TYR A 50 -6.505 -11.836 8.038 1.00 0.00 C ATOM 780 O TYR A 50 -5.566 -12.488 8.474 1.00 0.00 O ATOM 781 CB TYR A 50 -6.826 -9.581 9.139 1.00 0.00 C ATOM 782 CG TYR A 50 -7.562 -8.786 10.223 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.876 -8.377 10.037 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.960 -8.489 11.443 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.560 -7.698 11.016 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.641 -7.808 12.419 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.943 -7.413 12.202 1.00 0.00 C ATOM 788 OH TYR A 50 -9.627 -6.720 13.176 1.00 0.00 O ATOM 0 H TYR A 50 -6.454 -11.978 10.605 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.387 -10.958 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.763 -9.620 9.379 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.918 -9.062 8.185 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.371 -8.597 9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.941 -8.800 11.623 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.582 -7.390 10.849 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.157 -7.581 13.357 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.085 -6.682 13.992 1.00 0.00 H new ATOM 798 N GLY A 51 -6.843 -11.802 6.751 1.00 0.00 N ATOM 799 CA GLY A 51 -6.098 -12.529 5.719 1.00 0.00 C ATOM 800 C GLY A 51 -6.089 -11.763 4.412 1.00 0.00 C ATOM 801 O GLY A 51 -6.695 -10.692 4.340 1.00 0.00 O ATOM 0 H GLY A 51 -7.638 -11.273 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.074 -12.695 6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.546 -13.511 5.566 1.00 0.00 H new ATOM 805 N PRO A 52 -5.398 -12.267 3.348 1.00 0.00 N ATOM 806 CA PRO A 52 -5.404 -11.615 2.021 1.00 0.00 C ATOM 807 C PRO A 52 -6.814 -11.662 1.392 1.00 0.00 C ATOM 808 O PRO A 52 -7.353 -12.752 1.161 1.00 0.00 O ATOM 809 CB PRO A 52 -4.368 -12.441 1.196 1.00 0.00 C ATOM 810 CG PRO A 52 -3.582 -13.206 2.224 1.00 0.00 C ATOM 811 CD PRO A 52 -4.558 -13.489 3.340 1.00 0.00 C ATOM 0 HA PRO A 52 -5.145 -10.557 2.061 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.865 -13.114 0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.722 -11.790 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.183 -14.130 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.732 -12.625 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.147 -14.385 3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.052 -13.640 4.293 1.00 0.00 H new ATOM 819 N ALA A 53 -7.403 -10.475 1.160 1.00 0.00 N ATOM 820 CA ALA A 53 -8.730 -10.333 0.528 1.00 0.00 C ATOM 821 C ALA A 53 -8.714 -10.872 -0.919 1.00 0.00 C ATOM 822 O ALA A 53 -7.637 -10.930 -1.539 1.00 0.00 O ATOM 823 CB ALA A 53 -9.168 -8.856 0.544 1.00 0.00 C ATOM 0 H ALA A 53 -6.972 -9.584 1.406 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.447 -10.922 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.148 -8.762 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.223 -8.504 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.444 -8.256 -0.006 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.039 -3.489 -4.387 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.063 -4.009 -3.015 1.00 0.00 C ATOM 1024 C GLU A 67 -2.395 -4.745 -2.778 1.00 0.00 C ATOM 1025 O GLU A 67 -3.474 -4.176 -3.032 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.936 -2.861 -1.976 1.00 0.00 C ATOM 1027 CG GLU A 67 -1.127 -3.299 -0.497 1.00 0.00 C ATOM 1028 CD GLU A 67 -1.186 -2.119 0.484 1.00 0.00 C ATOM 1029 OE1 GLU A 67 -2.142 -1.311 0.399 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -0.282 -1.973 1.333 1.00 0.00 O ATOM 0 HA GLU A 67 -0.218 -4.687 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.047 -2.402 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.673 -2.093 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.046 -3.878 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.307 -3.959 -0.212 1.00 0.00 H new ATOM 1037 N ARG A 68 -2.313 -6.000 -2.318 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.495 -6.750 -1.884 1.00 0.00 C ATOM 1039 C ARG A 68 -3.977 -6.195 -0.529 1.00 0.00 C ATOM 1040 O ARG A 68 -3.204 -6.108 0.438 1.00 0.00 O ATOM 1041 CB ARG A 68 -3.197 -8.278 -1.794 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.119 -8.681 -0.769 1.00 0.00 C ATOM 1043 CD ARG A 68 -1.876 -10.197 -0.713 1.00 0.00 C ATOM 1044 NE ARG A 68 -0.999 -10.547 0.414 1.00 0.00 N ATOM 1045 CZ ARG A 68 0.046 -11.381 0.365 1.00 0.00 C ATOM 1046 NH1 ARG A 68 0.417 -11.969 -0.769 1.00 0.00 N ATOM 1047 NH2 ARG A 68 0.726 -11.616 1.461 1.00 0.00 N ATOM 0 H ARG A 68 -1.437 -6.517 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.286 -6.625 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.123 -8.798 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.888 -8.629 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.184 -8.178 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.417 -8.330 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.828 -10.718 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.425 -10.532 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.206 -10.115 1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.099 -11.788 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.218 -12.601 -0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.456 -11.165 2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.525 -12.249 1.439 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.236 -5.748 -0.489 1.00 0.00 N ATOM 1062 CA ARG A 69 -5.886 -5.321 0.746 1.00 0.00 C ATOM 1063 C ARG A 69 -6.303 -6.570 1.544 1.00 0.00 C ATOM 1064 O ARG A 69 -6.289 -7.686 1.010 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.094 -4.415 0.389 1.00 0.00 C ATOM 1066 CG ARG A 69 -7.553 -3.477 1.525 1.00 0.00 C ATOM 1067 CD ARG A 69 -8.518 -2.373 1.035 1.00 0.00 C ATOM 1068 NE ARG A 69 -8.004 -1.641 -0.146 1.00 0.00 N ATOM 1069 CZ ARG A 69 -6.924 -0.825 -0.192 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -6.111 -0.667 0.849 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -6.639 -0.206 -1.325 1.00 0.00 N ATOM 0 H ARG A 69 -5.830 -5.673 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.209 -4.739 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.834 -3.811 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.932 -5.048 0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.044 -4.065 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.679 -3.013 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.480 -2.822 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.695 -1.666 1.846 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.519 -1.765 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.292 -1.169 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.307 -0.044 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.229 -0.347 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.830 0.412 -1.379 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.629 -6.393 2.826 1.00 0.00 N ATOM 1086 CA PHE A 70 -6.974 -7.513 3.724 1.00 0.00 C ATOM 1087 C PHE A 70 -8.482 -7.616 3.931 1.00 0.00 C ATOM 1088 O PHE A 70 -9.224 -6.714 3.585 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.216 -7.372 5.076 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.772 -7.849 5.010 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.906 -7.367 4.029 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.287 -8.794 5.910 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.615 -7.813 3.946 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.990 -9.234 5.828 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.155 -8.744 4.843 1.00 0.00 C ATOM 0 H PHE A 70 -6.663 -5.478 3.275 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.655 -8.443 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.232 -6.327 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.744 -7.940 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.260 -6.630 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.937 -9.184 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.960 -7.433 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.622 -9.964 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.136 -9.095 4.778 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.908 -8.762 4.456 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.300 -9.056 4.805 1.00 0.00 C ATOM 1107 C GLU A 71 -10.341 -9.539 6.255 1.00 0.00 C ATOM 1108 O GLU A 71 -9.344 -10.057 6.767 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.883 -10.147 3.864 1.00 0.00 C ATOM 1110 CG GLU A 71 -10.124 -11.498 3.898 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.843 -12.621 3.136 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -11.895 -13.083 3.624 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -10.380 -13.039 2.057 1.00 0.00 O ATOM 0 H GLU A 71 -8.276 -9.537 4.657 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.904 -8.156 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.924 -10.323 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.878 -9.768 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.130 -11.359 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.987 -11.803 4.935 1.00 0.00 H new ATOM 1120 N THR A 72 -11.486 -9.371 6.903 1.00 0.00 N ATOM 1121 CA THR A 72 -11.695 -9.816 8.279 1.00 0.00 C ATOM 1122 C THR A 72 -12.182 -11.286 8.265 1.00 0.00 C ATOM 1123 O THR A 72 -13.335 -11.551 7.915 1.00 0.00 O ATOM 1124 CB THR A 72 -12.711 -8.870 8.995 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.250 -7.512 8.873 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.901 -9.212 10.482 1.00 0.00 C ATOM 0 H THR A 72 -12.302 -8.920 6.489 1.00 0.00 H new ATOM 0 HA THR A 72 -10.761 -9.772 8.839 1.00 0.00 H new ATOM 0 HB THR A 72 -13.679 -9.002 8.511 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.136 -7.124 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.618 -8.521 10.926 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.274 -10.232 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.946 -9.126 11.000 1.00 0.00 H new ATOM 1134 N ARG A 73 -11.263 -12.232 8.579 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.558 -13.679 8.610 1.00 0.00 C ATOM 1136 C ARG A 73 -12.435 -14.001 9.832 1.00 0.00 C ATOM 1137 O ARG A 73 -13.524 -14.565 9.701 1.00 0.00 O ATOM 1138 CB ARG A 73 -10.233 -14.509 8.657 1.00 0.00 C ATOM 1139 CG ARG A 73 -9.265 -14.268 7.474 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.874 -14.655 6.113 1.00 0.00 C ATOM 1141 NE ARG A 73 -10.219 -16.088 6.044 1.00 0.00 N ATOM 1142 CZ ARG A 73 -11.200 -16.623 5.294 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -11.970 -15.865 4.525 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -11.386 -17.934 5.309 1.00 0.00 N ATOM 0 H ARG A 73 -10.297 -12.009 8.818 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.097 -13.950 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.711 -14.279 9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.487 -15.568 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.980 -13.216 7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.353 -14.842 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.769 -14.059 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.167 -14.415 5.319 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.666 -16.728 6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.824 -14.856 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.708 -16.291 3.964 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.789 -18.527 5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.126 -18.351 4.745 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.935 -13.632 11.025 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.667 -13.778 12.301 1.00 0.00 C ATOM 1160 C LEU A 74 -12.811 -12.409 12.975 1.00 0.00 C ATOM 1161 O LEU A 74 -12.032 -11.492 12.690 1.00 0.00 O ATOM 1162 CB LEU A 74 -11.914 -14.760 13.231 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.785 -16.227 12.708 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.862 -17.063 13.609 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -13.174 -16.889 12.568 1.00 0.00 C ATOM 0 H LEU A 74 -11.007 -13.222 11.134 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.661 -14.178 12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.913 -14.368 13.408 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.423 -14.781 14.195 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.331 -16.187 11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.794 -18.078 13.218 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.869 -16.614 13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.268 -17.091 14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.056 -17.909 12.202 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.668 -16.907 13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.779 -16.319 11.863 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.797 -12.281 13.878 1.00 0.00 N ATOM 1178 CA ALA A 75 -14.057 -11.032 14.609 1.00 0.00 C ATOM 1179 C ALA A 75 -14.753 -11.316 15.946 1.00 0.00 C ATOM 1180 O ALA A 75 -15.640 -12.173 16.005 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.898 -10.067 13.753 1.00 0.00 C ATOM 0 H ALA A 75 -14.435 -13.039 14.121 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.099 -10.557 14.820 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.079 -9.149 14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.360 -9.832 12.834 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.851 -10.536 13.506 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.321 -10.602 17.012 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.891 -10.742 18.366 1.00 0.00 C ATOM 1189 C GLY A 76 -14.823 -12.166 18.911 1.00 0.00 C ATOM 1190 O GLY A 76 -15.694 -12.602 19.671 1.00 0.00 O ATOM 0 H GLY A 76 -13.569 -9.915 16.954 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.360 -10.076 19.046 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.931 -10.417 18.349 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.772 -12.875 18.493 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.546 -14.298 18.802 1.00 0.00 C ATOM 1196 C VAL A 77 -12.535 -14.435 19.956 1.00 0.00 C ATOM 1197 O VAL A 77 -12.282 -13.471 20.681 1.00 0.00 O ATOM 1198 CB VAL A 77 -13.034 -15.070 17.521 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.112 -15.114 16.415 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -11.722 -14.459 16.980 1.00 0.00 C ATOM 0 H VAL A 77 -13.034 -12.471 17.916 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.492 -14.742 19.112 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.827 -16.095 17.827 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.724 -15.652 15.550 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -14.999 -15.623 16.792 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.374 -14.097 16.122 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.398 -15.014 16.099 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.890 -13.416 16.710 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.951 -14.515 17.748 1.00 0.00 H new ATOM 1210 N GLU A 78 -12.012 -15.652 20.156 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.919 -15.917 21.109 1.00 0.00 C ATOM 1212 C GLU A 78 -9.684 -16.465 20.370 1.00 0.00 C ATOM 1213 O GLU A 78 -9.764 -16.813 19.186 1.00 0.00 O ATOM 1214 CB GLU A 78 -11.406 -16.905 22.194 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.870 -18.276 21.667 1.00 0.00 C ATOM 1216 CD GLU A 78 -12.316 -19.222 22.795 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -11.443 -19.674 23.570 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -13.530 -19.498 22.930 1.00 0.00 O ATOM 0 H GLU A 78 -12.334 -16.484 19.662 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.628 -14.985 21.594 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.599 -17.062 22.909 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.230 -16.445 22.739 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.696 -18.133 20.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.058 -18.740 21.108 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.557 -16.566 21.105 1.00 0.00 N ATOM 1226 CA GLY A 79 -7.294 -17.087 20.568 1.00 0.00 C ATOM 1227 C GLY A 79 -7.365 -18.555 20.154 1.00 0.00 C ATOM 1228 O GLY A 79 -6.562 -19.012 19.334 1.00 0.00 O ATOM 0 H GLY A 79 -8.502 -16.288 22.085 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.001 -16.489 19.705 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.513 -16.967 21.319 1.00 0.00 H new ATOM 1232 N GLU A 80 -8.338 -19.289 20.722 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.615 -20.684 20.344 1.00 0.00 C ATOM 1234 C GLU A 80 -9.166 -20.745 18.909 1.00 0.00 C ATOM 1235 O GLU A 80 -8.762 -21.604 18.123 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.625 -21.325 21.329 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.772 -22.857 21.220 1.00 0.00 C ATOM 1238 CD GLU A 80 -8.492 -23.625 21.603 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -7.626 -23.857 20.725 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -8.337 -23.984 22.789 1.00 0.00 O ATOM 0 H GLU A 80 -8.952 -18.932 21.454 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.682 -21.246 20.390 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.322 -21.077 22.346 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.603 -20.871 21.168 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.588 -23.183 21.865 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.050 -23.116 20.198 1.00 0.00 H new ATOM 1247 N GLU A 81 -10.070 -19.798 18.579 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.652 -19.664 17.227 1.00 0.00 C ATOM 1249 C GLU A 81 -9.591 -19.242 16.204 1.00 0.00 C ATOM 1250 O GLU A 81 -9.613 -19.693 15.049 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.805 -18.635 17.229 1.00 0.00 C ATOM 1252 CG GLU A 81 -13.030 -19.057 18.055 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.679 -20.360 17.552 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.175 -20.384 16.401 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -13.721 -21.355 18.307 1.00 0.00 O ATOM 0 H GLU A 81 -10.417 -19.105 19.242 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.042 -20.641 16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.430 -17.688 17.616 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.119 -18.457 16.200 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.732 -19.185 19.096 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.770 -18.257 18.031 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.671 -18.369 16.644 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.577 -17.879 15.799 1.00 0.00 C ATOM 1264 C ILE A 82 -6.668 -19.053 15.389 1.00 0.00 C ATOM 1265 O ILE A 82 -6.512 -19.337 14.201 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.731 -16.772 16.525 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.623 -15.586 17.014 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.604 -16.261 15.608 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.383 -14.867 15.919 1.00 0.00 C ATOM 0 H ILE A 82 -8.666 -17.987 17.590 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.018 -17.428 14.910 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.284 -17.230 17.407 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.338 -15.965 17.744 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.991 -14.864 17.532 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.030 -15.495 16.129 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.947 -17.089 15.343 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.036 -15.836 14.702 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.973 -14.061 16.355 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.678 -14.452 15.199 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -9.046 -15.570 15.414 1.00 0.00 H new ATOM 1281 N ALA A 83 -6.148 -19.759 16.403 1.00 0.00 N ATOM 1282 CA ALA A 83 -5.279 -20.937 16.220 1.00 0.00 C ATOM 1283 C ALA A 83 -6.021 -22.089 15.519 1.00 0.00 C ATOM 1284 O ALA A 83 -5.388 -22.921 14.855 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.728 -21.395 17.576 1.00 0.00 C ATOM 0 H ALA A 83 -6.318 -19.529 17.382 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.449 -20.647 15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.087 -22.265 17.433 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.149 -20.588 18.025 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.555 -21.658 18.235 1.00 0.00 H new ATOM 1291 N ALA A 84 -7.366 -22.107 15.664 1.00 0.00 N ATOM 1292 CA ALA A 84 -8.234 -23.078 14.977 1.00 0.00 C ATOM 1293 C ALA A 84 -8.098 -22.943 13.461 1.00 0.00 C ATOM 1294 O ALA A 84 -7.976 -23.948 12.772 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.704 -22.917 15.390 1.00 0.00 C ATOM 0 H ALA A 84 -7.873 -21.451 16.258 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.908 -24.074 15.277 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.313 -23.651 14.862 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.799 -23.072 16.465 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.045 -21.913 15.137 1.00 0.00 H new ATOM 1301 N LEU A 85 -8.104 -21.691 12.953 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.954 -21.434 11.512 1.00 0.00 C ATOM 1303 C LEU A 85 -6.489 -21.547 11.070 1.00 0.00 C ATOM 1304 O LEU A 85 -6.202 -22.129 10.022 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.469 -20.040 11.092 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.355 -19.768 9.538 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.707 -19.842 8.833 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.569 -18.480 9.213 1.00 0.00 C ATOM 0 H LEU A 85 -8.211 -20.850 13.520 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.560 -22.197 11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.511 -19.940 11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.906 -19.276 11.629 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.760 -20.583 9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.573 -19.648 7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.135 -20.835 8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.379 -19.096 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.523 -18.345 8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.070 -17.624 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.558 -18.560 9.612 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.579 -20.945 11.862 1.00 0.00 N ATOM 1321 CA LEU A 86 -4.143 -20.862 11.519 1.00 0.00 C ATOM 1322 C LEU A 86 -3.541 -22.253 11.256 1.00 0.00 C ATOM 1323 O LEU A 86 -2.717 -22.404 10.352 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.347 -20.131 12.630 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.700 -18.627 12.859 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.825 -18.028 13.971 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.601 -17.805 11.549 1.00 0.00 C ATOM 0 H LEU A 86 -5.815 -20.505 12.751 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.065 -20.284 10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.500 -20.665 13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.285 -20.201 12.393 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.739 -18.575 13.183 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.087 -16.980 14.115 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.992 -18.574 14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.775 -18.104 13.689 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.854 -16.765 11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.584 -17.862 11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.295 -18.210 10.812 1.00 0.00 H new ATOM 1339 N GLU A 87 -4.023 -23.265 12.011 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.549 -24.657 11.883 1.00 0.00 C ATOM 1341 C GLU A 87 -4.062 -25.283 10.570 1.00 0.00 C ATOM 1342 O GLU A 87 -3.403 -26.165 10.000 1.00 0.00 O ATOM 1343 CB GLU A 87 -3.973 -25.502 13.125 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.468 -25.945 13.190 1.00 0.00 C ATOM 1345 CD GLU A 87 -5.756 -27.335 12.587 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -5.054 -28.302 12.952 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -6.667 -27.468 11.745 1.00 0.00 O ATOM 0 H GLU A 87 -4.746 -23.140 12.720 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.460 -24.652 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.351 -26.396 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.749 -24.925 14.022 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.788 -25.943 14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.075 -25.205 12.668 1.00 0.00 H new ATOM 1354 N ARG A 88 -5.244 -24.809 10.098 1.00 0.00 N ATOM 1355 CA ARG A 88 -5.867 -25.312 8.865 1.00 0.00 C ATOM 1356 C ARG A 88 -5.081 -24.792 7.653 1.00 0.00 C ATOM 1357 O ARG A 88 -4.648 -25.558 6.802 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.342 -24.837 8.740 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.250 -25.191 9.930 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.614 -24.473 9.863 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.370 -24.589 11.127 1.00 0.00 N ATOM 1362 CZ ARG A 88 -11.194 -23.651 11.629 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -11.448 -22.532 10.961 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -11.766 -23.848 12.802 1.00 0.00 N ATOM 0 H ARG A 88 -5.780 -24.076 10.562 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.853 -26.401 8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.348 -23.755 8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.770 -25.270 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.411 -26.269 9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.747 -24.924 10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.457 -23.420 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.204 -24.894 9.049 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.258 -25.450 11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.016 -22.372 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.075 -21.832 11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.582 -24.706 13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.392 -23.142 13.189 1.00 0.00 H new ATOM 1378 N GLU A 89 -4.886 -23.463 7.634 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.308 -22.739 6.490 1.00 0.00 C ATOM 1380 C GLU A 89 -2.826 -23.068 6.305 1.00 0.00 C ATOM 1381 O GLU A 89 -2.363 -23.190 5.175 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.510 -21.210 6.663 1.00 0.00 C ATOM 1383 CG GLU A 89 -5.969 -20.788 6.916 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.971 -21.357 5.898 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.964 -20.909 4.730 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.773 -22.253 6.256 1.00 0.00 O ATOM 0 H GLU A 89 -5.127 -22.857 8.418 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.831 -23.065 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.895 -20.866 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.148 -20.704 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.261 -21.109 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.029 -19.700 6.900 1.00 0.00 H new ATOM 1393 N ARG A 90 -2.097 -23.212 7.427 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.659 -23.599 7.399 1.00 0.00 C ATOM 1395 C ARG A 90 -0.460 -25.032 6.866 1.00 0.00 C ATOM 1396 O ARG A 90 0.589 -25.351 6.301 1.00 0.00 O ATOM 1397 CB ARG A 90 0.013 -23.447 8.793 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.404 -24.508 9.829 1.00 0.00 C ATOM 1399 CD ARG A 90 0.395 -24.443 11.146 1.00 0.00 C ATOM 1400 NE ARG A 90 0.087 -25.601 12.009 1.00 0.00 N ATOM 1401 CZ ARG A 90 0.474 -26.871 11.769 1.00 0.00 C ATOM 1402 NH1 ARG A 90 1.264 -27.169 10.735 1.00 0.00 N ATOM 1403 NH2 ARG A 90 0.080 -27.834 12.587 1.00 0.00 N ATOM 0 H ARG A 90 -2.471 -23.069 8.365 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.171 -22.908 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.095 -23.489 8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.224 -22.460 9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.464 -24.387 10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.282 -25.498 9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.463 -24.422 10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.159 -23.519 11.673 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.461 -25.427 12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.586 -26.430 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.546 -28.135 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.510 -27.612 13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.366 -28.798 12.415 1.00 0.00 H new ATOM 1417 N ARG A 91 -1.473 -25.887 7.089 1.00 0.00 N ATOM 1418 CA ARG A 91 -1.469 -27.286 6.637 1.00 0.00 C ATOM 1419 C ARG A 91 -1.390 -27.339 5.096 1.00 0.00 C ATOM 1420 O ARG A 91 -0.552 -28.048 4.534 1.00 0.00 O ATOM 1421 CB ARG A 91 -2.737 -27.993 7.206 1.00 0.00 C ATOM 1422 CG ARG A 91 -2.906 -29.510 6.917 1.00 0.00 C ATOM 1423 CD ARG A 91 -3.559 -29.825 5.555 1.00 0.00 C ATOM 1424 NE ARG A 91 -3.776 -31.270 5.372 1.00 0.00 N ATOM 1425 CZ ARG A 91 -3.929 -31.887 4.191 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -3.824 -31.214 3.050 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -4.171 -33.182 4.153 1.00 0.00 N ATOM 0 H ARG A 91 -2.321 -25.624 7.591 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.593 -27.817 7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.742 -27.854 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.614 -27.477 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.927 -29.987 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.510 -29.954 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.512 -29.302 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.925 -29.448 4.752 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.813 -31.848 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.624 -30.214 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.943 -31.698 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.242 -33.713 5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.288 -33.653 3.256 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.257 -26.548 4.437 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.322 -26.465 2.968 1.00 0.00 C ATOM 1443 C PHE A 92 -1.140 -25.646 2.418 1.00 0.00 C ATOM 1444 O PHE A 92 -0.396 -26.113 1.548 1.00 0.00 O ATOM 1445 CB PHE A 92 -3.667 -25.830 2.536 1.00 0.00 C ATOM 1446 CG PHE A 92 -4.889 -26.668 2.900 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.316 -27.703 2.072 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -5.603 -26.428 4.068 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -6.416 -28.464 2.403 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -6.703 -27.188 4.400 1.00 0.00 C ATOM 1451 CZ PHE A 92 -7.110 -28.205 3.568 1.00 0.00 C ATOM 0 H PHE A 92 -2.933 -25.948 4.910 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.258 -27.472 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.760 -24.848 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.654 -25.673 1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.778 -27.912 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.290 -25.632 4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.735 -29.263 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.245 -26.986 5.312 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.973 -28.801 3.826 1.00 0.00 H new ATOM 1461 N ASP A 93 -0.973 -24.431 2.956 1.00 0.00 N ATOM 1462 CA ASP A 93 0.035 -23.458 2.507 1.00 0.00 C ATOM 1463 C ASP A 93 0.735 -22.862 3.735 1.00 0.00 C ATOM 1464 O ASP A 93 0.214 -21.941 4.361 1.00 0.00 O ATOM 1465 CB ASP A 93 -0.628 -22.328 1.668 1.00 0.00 C ATOM 1466 CG ASP A 93 -1.303 -22.829 0.381 1.00 0.00 C ATOM 1467 OD1 ASP A 93 -0.590 -23.108 -0.610 1.00 0.00 O ATOM 1468 OD2 ASP A 93 -2.546 -22.948 0.353 1.00 0.00 O ATOM 0 H ASP A 93 -1.544 -24.089 3.729 1.00 0.00 H new ATOM 0 HA ASP A 93 0.765 -23.964 1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.370 -21.819 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.130 -21.589 1.407 1.00 0.00 H new ATOM 1473 N SER A 94 1.908 -23.413 4.077 1.00 0.00 N ATOM 1474 CA SER A 94 2.698 -22.988 5.246 1.00 0.00 C ATOM 1475 C SER A 94 3.445 -21.656 4.987 1.00 0.00 C ATOM 1476 O SER A 94 4.055 -21.093 5.904 1.00 0.00 O ATOM 1477 CB SER A 94 3.690 -24.111 5.633 1.00 0.00 C ATOM 1478 OG SER A 94 4.374 -23.820 6.844 1.00 0.00 O ATOM 0 H SER A 94 2.340 -24.171 3.548 1.00 0.00 H new ATOM 0 HA SER A 94 2.013 -22.808 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.150 -25.052 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.415 -24.247 4.830 1.00 0.00 H new ATOM 0 HG SER A 94 4.990 -24.552 7.056 1.00 0.00 H new ATOM 1484 N ASP A 95 3.373 -21.146 3.743 1.00 0.00 N ATOM 1485 CA ASP A 95 4.036 -19.884 3.347 1.00 0.00 C ATOM 1486 C ASP A 95 3.352 -18.635 3.952 1.00 0.00 C ATOM 1487 O ASP A 95 3.843 -17.515 3.740 1.00 0.00 O ATOM 1488 CB ASP A 95 4.101 -19.760 1.802 1.00 0.00 C ATOM 1489 CG ASP A 95 2.714 -19.781 1.133 1.00 0.00 C ATOM 1490 OD1 ASP A 95 2.236 -20.885 0.809 1.00 0.00 O ATOM 1491 OD2 ASP A 95 2.093 -18.703 0.947 1.00 0.00 O ATOM 0 H ASP A 95 2.857 -21.593 2.985 1.00 0.00 H new ATOM 0 HA ASP A 95 5.048 -19.925 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.610 -18.833 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.702 -20.577 1.403 1.00 0.00 H new ATOM 1496 N LEU A 96 2.234 -18.811 4.700 1.00 0.00 N ATOM 1497 CA LEU A 96 1.583 -17.683 5.389 1.00 0.00 C ATOM 1498 C LEU A 96 2.426 -17.240 6.593 1.00 0.00 C ATOM 1499 O LEU A 96 3.203 -18.023 7.167 1.00 0.00 O ATOM 1500 CB LEU A 96 0.120 -17.977 5.861 1.00 0.00 C ATOM 1501 CG LEU A 96 -0.046 -18.816 7.172 1.00 0.00 C ATOM 1502 CD1 LEU A 96 -1.459 -18.688 7.772 1.00 0.00 C ATOM 1503 CD2 LEU A 96 0.301 -20.277 6.935 1.00 0.00 C ATOM 0 H LEU A 96 1.775 -19.711 4.837 1.00 0.00 H new ATOM 0 HA LEU A 96 1.516 -16.886 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.389 -17.024 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.398 -18.499 5.056 1.00 0.00 H new ATOM 0 HG LEU A 96 0.655 -18.405 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.525 -19.288 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.659 -17.644 8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.195 -19.042 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.177 -20.836 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.360 -20.689 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.335 -20.356 6.600 1.00 0.00 H new ATOM 1515 N TRP A 97 2.263 -15.973 6.950 1.00 0.00 N ATOM 1516 CA TRP A 97 2.865 -15.370 8.137 1.00 0.00 C ATOM 1517 C TRP A 97 1.754 -15.142 9.154 1.00 0.00 C ATOM 1518 O TRP A 97 0.595 -14.977 8.771 1.00 0.00 O ATOM 1519 CB TRP A 97 3.541 -14.022 7.766 1.00 0.00 C ATOM 1520 CG TRP A 97 4.658 -14.133 6.741 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.606 -14.737 5.514 1.00 0.00 C ATOM 1522 CD2 TRP A 97 5.968 -13.582 6.843 1.00 0.00 C ATOM 1523 NE1 TRP A 97 5.807 -14.642 4.890 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.660 -13.928 5.675 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.624 -12.842 7.816 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 7.979 -13.565 5.454 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 7.930 -12.475 7.603 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.598 -12.840 6.431 1.00 0.00 C ATOM 0 H TRP A 97 1.696 -15.319 6.411 1.00 0.00 H new ATOM 0 HA TRP A 97 3.630 -16.026 8.553 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.780 -13.343 7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.942 -13.570 8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.733 -15.221 5.101 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.034 -15.041 3.979 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.116 -12.559 8.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.495 -13.844 4.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.449 -11.896 8.352 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.627 -12.542 6.295 1.00 0.00 H new ATOM 1539 N VAL A 98 2.092 -15.161 10.438 1.00 0.00 N ATOM 1540 CA VAL A 98 1.149 -14.821 11.513 1.00 0.00 C ATOM 1541 C VAL A 98 1.752 -13.695 12.343 1.00 0.00 C ATOM 1542 O VAL A 98 2.870 -13.824 12.832 1.00 0.00 O ATOM 1543 CB VAL A 98 0.795 -16.051 12.426 1.00 0.00 C ATOM 1544 CG1 VAL A 98 -0.140 -15.632 13.593 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.163 -17.201 11.595 1.00 0.00 C ATOM 0 H VAL A 98 3.024 -15.411 10.770 1.00 0.00 H new ATOM 0 HA VAL A 98 0.211 -14.504 11.058 1.00 0.00 H new ATOM 0 HB VAL A 98 1.725 -16.421 12.858 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.368 -16.503 14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.356 -14.877 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.065 -15.221 13.189 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.072 -18.038 12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.751 -16.846 11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.868 -17.527 10.830 1.00 0.00 H new ATOM 1555 N VAL A 99 1.023 -12.579 12.453 1.00 0.00 N ATOM 1556 CA VAL A 99 1.416 -11.432 13.295 1.00 0.00 C ATOM 1557 C VAL A 99 0.325 -11.198 14.336 1.00 0.00 C ATOM 1558 O VAL A 99 -0.833 -11.002 13.969 1.00 0.00 O ATOM 1559 CB VAL A 99 1.620 -10.102 12.459 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.194 -8.953 13.334 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.501 -10.352 11.214 1.00 0.00 C ATOM 0 H VAL A 99 0.140 -12.440 11.961 1.00 0.00 H new ATOM 0 HA VAL A 99 2.371 -11.674 13.761 1.00 0.00 H new ATOM 0 HB VAL A 99 0.636 -9.784 12.113 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.319 -8.059 12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.506 -8.740 14.152 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.160 -9.253 13.741 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.622 -9.420 10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.479 -10.718 11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.024 -11.094 10.574 1.00 0.00 H new ATOM 1571 N GLU A 100 0.685 -11.229 15.624 1.00 0.00 N ATOM 1572 CA GLU A 100 -0.225 -10.806 16.693 1.00 0.00 C ATOM 1573 C GLU A 100 -0.099 -9.289 16.849 1.00 0.00 C ATOM 1574 O GLU A 100 1.008 -8.762 16.882 1.00 0.00 O ATOM 1575 CB GLU A 100 0.076 -11.531 18.036 1.00 0.00 C ATOM 1576 CG GLU A 100 1.489 -11.300 18.614 1.00 0.00 C ATOM 1577 CD GLU A 100 1.645 -11.844 20.041 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.269 -11.127 21.000 1.00 0.00 O ATOM 1579 OE2 GLU A 100 2.109 -12.991 20.211 1.00 0.00 O ATOM 0 H GLU A 100 1.599 -11.542 15.951 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.246 -11.076 16.424 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.657 -11.208 18.775 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.068 -12.602 17.891 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.224 -11.777 17.966 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.707 -10.232 18.611 1.00 0.00 H new ATOM 1586 N ILE A 101 -1.237 -8.594 16.854 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.312 -7.157 17.140 1.00 0.00 C ATOM 1588 C ILE A 101 -2.337 -6.944 18.264 1.00 0.00 C ATOM 1589 O ILE A 101 -3.385 -7.578 18.267 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.672 -6.282 15.865 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.039 -6.690 15.238 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.543 -6.359 14.801 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.541 -5.762 14.145 1.00 0.00 C ATOM 0 H ILE A 101 -2.144 -9.016 16.657 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.324 -6.818 17.452 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.763 -5.250 16.205 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.949 -7.696 14.828 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.787 -6.734 16.030 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.814 -5.751 13.938 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.387 -5.986 15.230 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.408 -7.394 14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.497 -6.126 13.769 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.669 -4.758 14.550 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.818 -5.735 13.330 1.00 0.00 H new ATOM 1605 N GLU A 102 -2.006 -6.101 19.241 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.887 -5.789 20.375 1.00 0.00 C ATOM 1607 C GLU A 102 -3.219 -4.301 20.309 1.00 0.00 C ATOM 1608 O GLU A 102 -2.349 -3.465 20.538 1.00 0.00 O ATOM 1609 CB GLU A 102 -2.195 -6.186 21.715 1.00 0.00 C ATOM 1610 CG GLU A 102 -3.114 -6.231 22.969 1.00 0.00 C ATOM 1611 CD GLU A 102 -3.501 -4.856 23.547 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -2.649 -4.242 24.227 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -4.642 -4.382 23.328 1.00 0.00 O ATOM 0 H GLU A 102 -1.113 -5.609 19.272 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.814 -6.360 20.325 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.738 -7.168 21.588 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.387 -5.480 21.907 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.026 -6.769 22.712 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.612 -6.807 23.747 1.00 0.00 H new ATOM 1620 N THR A 103 -4.479 -3.987 19.990 1.00 0.00 N ATOM 1621 CA THR A 103 -4.942 -2.606 19.777 1.00 0.00 C ATOM 1622 C THR A 103 -6.485 -2.531 19.799 1.00 0.00 C ATOM 1623 O THR A 103 -7.160 -3.537 19.565 1.00 0.00 O ATOM 1624 CB THR A 103 -4.388 -2.044 18.419 1.00 0.00 C ATOM 1625 OG1 THR A 103 -4.912 -0.728 18.157 1.00 0.00 O ATOM 1626 CG2 THR A 103 -4.704 -2.991 17.245 1.00 0.00 C ATOM 0 H THR A 103 -5.213 -4.686 19.871 1.00 0.00 H new ATOM 0 HA THR A 103 -4.559 -1.992 20.592 1.00 0.00 H new ATOM 0 HB THR A 103 -3.304 -1.975 18.512 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.176 -0.121 17.933 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.306 -2.571 16.321 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.246 -3.963 17.428 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.784 -3.110 17.154 1.00 0.00 H new ATOM 1634 N ASP A 104 -7.016 -1.321 20.092 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.472 -1.033 20.104 1.00 0.00 C ATOM 1636 C ASP A 104 -9.057 -1.063 18.684 1.00 0.00 C ATOM 1637 O ASP A 104 -10.071 -1.716 18.416 1.00 0.00 O ATOM 1638 CB ASP A 104 -8.756 0.374 20.717 1.00 0.00 C ATOM 1639 CG ASP A 104 -8.340 0.510 22.187 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -8.991 -0.119 23.049 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -7.380 1.257 22.498 1.00 0.00 O ATOM 0 H ASP A 104 -6.443 -0.511 20.329 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.942 -1.807 20.711 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.230 1.127 20.130 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.821 0.588 20.630 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.404 -0.318 17.791 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.873 -0.087 16.412 1.00 0.00 C ATOM 1648 C GLU A 105 -8.030 -0.904 15.430 1.00 0.00 C ATOM 1649 O GLU A 105 -7.033 -1.506 15.825 1.00 0.00 O ATOM 1650 CB GLU A 105 -8.796 1.429 16.105 1.00 0.00 C ATOM 1651 CG GLU A 105 -7.384 2.056 16.236 1.00 0.00 C ATOM 1652 CD GLU A 105 -7.373 3.583 16.033 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -7.835 4.052 14.970 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -6.930 4.318 16.939 1.00 0.00 O ATOM 0 H GLU A 105 -7.523 0.151 18.002 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.908 -0.412 16.305 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.159 1.597 15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.474 1.955 16.777 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.982 1.825 17.222 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.720 1.595 15.505 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.428 -0.923 14.148 1.00 0.00 N ATOM 1662 CA ILE A 106 -7.762 -1.758 13.133 1.00 0.00 C ATOM 1663 C ILE A 106 -7.455 -0.971 11.842 1.00 0.00 C ATOM 1664 O ILE A 106 -6.361 -1.104 11.303 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.605 -3.055 12.812 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.834 -3.991 11.828 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -10.025 -2.717 12.283 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.527 -4.538 12.378 1.00 0.00 C ATOM 0 H ILE A 106 -9.207 -0.371 13.789 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.808 -2.068 13.559 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.743 -3.592 13.750 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.480 -4.827 11.560 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.626 -3.441 10.910 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.566 -3.641 12.077 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.565 -2.140 13.034 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.942 -2.133 11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.057 -5.178 11.631 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.859 -3.711 12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.726 -5.118 13.279 1.00 0.00 H new ATOM 1680 N GLY A 107 -8.400 -0.110 11.406 1.00 0.00 N ATOM 1681 CA GLY A 107 -8.370 0.500 10.064 1.00 0.00 C ATOM 1682 C GLY A 107 -7.109 1.311 9.778 1.00 0.00 C ATOM 1683 O GLY A 107 -6.527 1.210 8.692 1.00 0.00 O ATOM 0 H GLY A 107 -9.198 0.178 11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.460 -0.288 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.239 1.148 9.951 1.00 0.00 H new ATOM 1687 N THR A 108 -6.660 2.070 10.787 1.00 0.00 N ATOM 1688 CA THR A 108 -5.490 2.955 10.681 1.00 0.00 C ATOM 1689 C THR A 108 -4.174 2.153 10.558 1.00 0.00 C ATOM 1690 O THR A 108 -3.243 2.574 9.869 1.00 0.00 O ATOM 1691 CB THR A 108 -5.428 3.929 11.911 1.00 0.00 C ATOM 1692 OG1 THR A 108 -4.442 4.945 11.697 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.119 3.205 13.237 1.00 0.00 C ATOM 0 H THR A 108 -7.101 2.088 11.707 1.00 0.00 H new ATOM 0 HA THR A 108 -5.602 3.542 9.770 1.00 0.00 H new ATOM 0 HB THR A 108 -6.420 4.373 11.996 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.417 5.545 12.472 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.089 3.931 14.050 1.00 0.00 H new ATOM 0 HG22 THR A 108 -5.895 2.467 13.438 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.154 2.705 13.162 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.137 0.965 11.192 1.00 0.00 N ATOM 1702 CA LEU A 109 -2.908 0.159 11.350 1.00 0.00 C ATOM 1703 C LEU A 109 -2.964 -1.162 10.548 1.00 0.00 C ATOM 1704 O LEU A 109 -2.022 -1.964 10.603 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.640 -0.056 12.871 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.873 -0.468 13.757 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.111 -1.991 13.755 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.739 0.076 15.197 1.00 0.00 C ATOM 0 H LEU A 109 -4.961 0.535 11.611 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.063 0.701 10.925 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.874 -0.825 12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.223 0.866 13.276 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.752 -0.009 13.306 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.972 -2.225 14.380 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.300 -2.328 12.736 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.229 -2.498 14.147 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.607 -0.227 15.782 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.835 -0.325 15.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.680 1.164 15.171 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.063 -1.346 9.796 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.259 -2.458 8.849 1.00 0.00 C ATOM 1722 C LEU A 110 -5.579 -2.221 8.094 1.00 0.00 C ATOM 1723 O LEU A 110 -6.659 -2.221 8.696 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.296 -3.843 9.558 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.524 -5.079 8.630 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.419 -5.203 7.561 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.670 -6.378 9.454 1.00 0.00 C ATOM 0 H LEU A 110 -4.860 -0.710 9.831 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.413 -2.479 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.355 -3.982 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.087 -3.825 10.307 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.463 -4.920 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.614 -6.075 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.410 -4.307 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.451 -5.316 8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.828 -7.220 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.763 -6.543 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.522 -6.288 10.128 1.00 0.00 H new ATOM 1739 N THR A 111 -5.479 -2.024 6.778 1.00 0.00 N ATOM 1740 CA THR A 111 -6.626 -1.695 5.930 1.00 0.00 C ATOM 1741 C THR A 111 -7.399 -2.965 5.521 1.00 0.00 C ATOM 1742 O THR A 111 -6.791 -3.985 5.169 1.00 0.00 O ATOM 1743 CB THR A 111 -6.159 -0.942 4.658 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.287 0.136 5.029 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.358 -0.398 3.865 1.00 0.00 C ATOM 0 H THR A 111 -4.597 -2.088 6.269 1.00 0.00 H new ATOM 0 HA THR A 111 -7.291 -1.053 6.508 1.00 0.00 H new ATOM 0 HB THR A 111 -5.622 -1.644 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.991 0.610 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.000 0.125 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.001 -1.225 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.925 0.292 4.490 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.746 -2.878 5.552 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.649 -4.005 5.254 1.00 0.00 C ATOM 1755 C LEU A 112 -10.679 -3.612 4.180 1.00 0.00 C ATOM 1756 O LEU A 112 -11.013 -2.433 4.026 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.372 -4.452 6.553 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.422 -4.805 7.743 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -10.182 -4.881 9.064 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.632 -6.100 7.461 1.00 0.00 C ATOM 0 H LEU A 112 -9.239 -2.016 5.787 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.057 -4.834 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.047 -3.656 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.988 -5.322 6.328 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.698 -3.996 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.489 -5.128 9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.649 -3.918 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.951 -5.651 8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.980 -6.320 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.328 -6.926 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.029 -5.970 6.562 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.140 -4.621 3.428 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.262 -4.508 2.483 1.00 0.00 C ATOM 1774 C VAL A 113 -13.585 -4.790 3.223 1.00 0.00 C ATOM 1775 O VAL A 113 -14.655 -4.364 2.789 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.104 -5.521 1.277 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -10.801 -5.255 0.495 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.159 -7.001 1.750 1.00 0.00 C ATOM 0 H VAL A 113 -10.736 -5.557 3.459 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.267 -3.496 2.078 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.950 -5.355 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.719 -5.966 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.816 -4.240 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.946 -5.371 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.047 -7.662 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.352 -7.187 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.117 -7.193 2.233 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.472 -5.524 4.346 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.617 -6.006 5.124 1.00 0.00 C ATOM 1790 C ASP A 114 -15.111 -4.907 6.071 1.00 0.00 C ATOM 1791 O ASP A 114 -16.252 -4.449 5.968 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.204 -7.267 5.923 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.399 -7.964 6.592 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.075 -8.766 5.913 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.682 -7.698 7.780 1.00 0.00 O ATOM 0 H ASP A 114 -12.572 -5.799 4.738 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.431 -6.266 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.707 -7.969 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.478 -6.987 6.686 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.235 -4.507 7.008 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.514 -3.412 7.941 1.00 0.00 C ATOM 1802 C GLN A 115 -14.301 -2.063 7.224 1.00 0.00 C ATOM 1803 O GLN A 115 -13.213 -1.827 6.674 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.610 -3.522 9.195 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.823 -4.807 10.022 1.00 0.00 C ATOM 1806 CD GLN A 115 -15.235 -4.933 10.595 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -15.513 -4.453 11.690 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -16.133 -5.568 9.854 1.00 0.00 N ATOM 0 H GLN A 115 -13.318 -4.934 7.137 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.550 -3.476 8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.567 -3.475 8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.790 -2.658 9.835 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.615 -5.673 9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.104 -4.827 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.866 -5.954 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -17.091 -5.670 10.190 1.00 0.00 H new