USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 472 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.41 K(o=-2.4,f=-7.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0662 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0401 (180deg=-0.328) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.9) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 39 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.24) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.09 K(o=-3.1,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -3.519 -9.939 -5.874 1.00 1.44 N ATOM 29 CA GLU A 3 -3.883 -8.936 -4.880 1.00 64.51 C ATOM 30 C GLU A 3 -3.843 -9.526 -3.473 1.00 10.32 C ATOM 31 O GLU A 3 -3.777 -8.795 -2.484 1.00 64.12 O ATOM 32 CB GLU A 3 -5.278 -8.380 -5.172 1.00 70.11 C ATOM 33 CG GLU A 3 -6.370 -9.436 -5.158 1.00 31.12 C ATOM 34 CD GLU A 3 -7.160 -9.477 -6.451 1.00 72.34 C ATOM 35 OE1 GLU A 3 -6.573 -9.835 -7.494 1.00 31.14 O ATOM 36 OE2 GLU A 3 -8.365 -9.150 -6.422 1.00 14.14 O ATOM 0 HA GLU A 3 -3.157 -8.125 -4.936 1.00 64.51 H new ATOM 0 HB2 GLU A 3 -5.516 -7.614 -4.434 1.00 70.11 H new ATOM 0 HB3 GLU A 3 -5.269 -7.892 -6.147 1.00 70.11 H new ATOM 0 HG2 GLU A 3 -5.922 -10.414 -4.979 1.00 31.12 H new ATOM 0 HG3 GLU A 3 -7.049 -9.240 -4.328 1.00 31.12 H new ATOM 43 N ALA A 4 -3.885 -10.851 -3.392 1.00 3.54 N ATOM 44 CA ALA A 4 -3.851 -11.540 -2.107 1.00 71.12 C ATOM 45 C ALA A 4 -2.653 -11.094 -1.276 1.00 45.34 C ATOM 46 O ALA A 4 -2.673 -11.173 -0.048 1.00 14.33 O ATOM 47 CB ALA A 4 -3.821 -13.047 -2.316 1.00 73.45 C ATOM 0 H ALA A 4 -3.943 -11.470 -4.201 1.00 3.54 H new ATOM 0 HA ALA A 4 -4.756 -11.279 -1.559 1.00 71.12 H new ATOM 0 HB1 ALA A 4 -3.796 -13.548 -1.348 1.00 73.45 H new ATOM 0 HB2 ALA A 4 -4.712 -13.356 -2.862 1.00 73.45 H new ATOM 0 HB3 ALA A 4 -2.933 -13.317 -2.888 1.00 73.45 H new ATOM 53 N LEU A 5 -1.609 -10.629 -1.955 1.00 34.14 N ATOM 54 CA LEU A 5 -0.400 -10.172 -1.279 1.00 34.45 C ATOM 55 C LEU A 5 -0.697 -8.975 -0.381 1.00 32.10 C ATOM 56 O LEU A 5 -0.172 -8.871 0.728 1.00 45.42 O ATOM 57 CB LEU A 5 0.672 -9.800 -2.305 1.00 50.15 C ATOM 58 CG LEU A 5 0.752 -10.692 -3.544 1.00 60.23 C ATOM 59 CD1 LEU A 5 1.950 -10.310 -4.400 1.00 33.42 C ATOM 60 CD2 LEU A 5 0.826 -12.158 -3.142 1.00 51.45 C ATOM 0 H LEU A 5 -1.576 -10.559 -2.972 1.00 34.14 H new ATOM 0 HA LEU A 5 -0.032 -10.987 -0.656 1.00 34.45 H new ATOM 0 HB2 LEU A 5 0.495 -8.775 -2.631 1.00 50.15 H new ATOM 0 HB3 LEU A 5 1.642 -9.814 -1.809 1.00 50.15 H new ATOM 0 HG LEU A 5 -0.152 -10.544 -4.134 1.00 60.23 H new ATOM 0 HD11 LEU A 5 1.991 -10.955 -5.277 1.00 33.42 H new ATOM 0 HD12 LEU A 5 1.854 -9.272 -4.718 1.00 33.42 H new ATOM 0 HD13 LEU A 5 2.865 -10.429 -3.819 1.00 33.42 H new ATOM 0 HD21 LEU A 5 0.882 -12.778 -4.037 1.00 51.45 H new ATOM 0 HD22 LEU A 5 1.712 -12.323 -2.530 1.00 51.45 H new ATOM 0 HD23 LEU A 5 -0.064 -12.424 -2.571 1.00 51.45 H new ATOM 72 N PHE A 6 -1.545 -8.074 -0.866 1.00 44.35 N ATOM 73 CA PHE A 6 -1.914 -6.884 -0.107 1.00 44.44 C ATOM 74 C PHE A 6 -2.621 -7.265 1.191 1.00 53.53 C ATOM 75 O PHE A 6 -2.309 -6.738 2.258 1.00 14.01 O ATOM 76 CB PHE A 6 -2.818 -5.978 -0.946 1.00 44.21 C ATOM 77 CG PHE A 6 -3.644 -5.030 -0.124 1.00 41.42 C ATOM 78 CD1 PHE A 6 -4.824 -5.451 0.466 1.00 64.53 C ATOM 79 CD2 PHE A 6 -3.240 -3.717 0.057 1.00 63.25 C ATOM 80 CE1 PHE A 6 -5.587 -4.582 1.222 1.00 1.14 C ATOM 81 CE2 PHE A 6 -3.999 -2.843 0.813 1.00 41.25 C ATOM 82 CZ PHE A 6 -5.174 -3.275 1.395 1.00 2.51 C ATOM 0 H PHE A 6 -1.990 -8.145 -1.781 1.00 44.35 H new ATOM 0 HA PHE A 6 -1.000 -6.344 0.142 1.00 44.44 H new ATOM 0 HB2 PHE A 6 -2.202 -5.404 -1.639 1.00 44.21 H new ATOM 0 HB3 PHE A 6 -3.482 -6.598 -1.548 1.00 44.21 H new ATOM 0 HD1 PHE A 6 -5.152 -6.471 0.334 1.00 64.53 H new ATOM 0 HD2 PHE A 6 -2.323 -3.373 -0.397 1.00 63.25 H new ATOM 0 HE1 PHE A 6 -6.505 -4.924 1.677 1.00 1.14 H new ATOM 0 HE2 PHE A 6 -3.673 -1.822 0.948 1.00 41.25 H new ATOM 0 HZ PHE A 6 -5.769 -2.593 1.984 1.00 2.51 H new ATOM 92 N LYS A 7 -3.574 -8.185 1.091 1.00 2.44 N ATOM 93 CA LYS A 7 -4.325 -8.639 2.255 1.00 71.42 C ATOM 94 C LYS A 7 -3.477 -9.562 3.125 1.00 74.13 C ATOM 95 O LYS A 7 -3.692 -9.661 4.332 1.00 43.22 O ATOM 96 CB LYS A 7 -5.599 -9.364 1.815 1.00 14.22 C ATOM 97 CG LYS A 7 -6.599 -8.463 1.110 1.00 15.34 C ATOM 98 CD LYS A 7 -7.920 -9.174 0.874 1.00 44.42 C ATOM 99 CE LYS A 7 -9.102 -8.290 1.240 1.00 62.32 C ATOM 100 NZ LYS A 7 -10.188 -9.062 1.904 1.00 23.24 N ATOM 0 H LYS A 7 -3.845 -8.631 0.215 1.00 2.44 H new ATOM 0 HA LYS A 7 -4.597 -7.763 2.844 1.00 71.42 H new ATOM 0 HB2 LYS A 7 -5.329 -10.184 1.149 1.00 14.22 H new ATOM 0 HB3 LYS A 7 -6.075 -9.807 2.690 1.00 14.22 H new ATOM 0 HG2 LYS A 7 -6.768 -7.568 1.708 1.00 15.34 H new ATOM 0 HG3 LYS A 7 -6.186 -8.135 0.156 1.00 15.34 H new ATOM 0 HD2 LYS A 7 -7.994 -9.468 -0.173 1.00 44.42 H new ATOM 0 HD3 LYS A 7 -7.952 -10.089 1.465 1.00 44.42 H new ATOM 0 HE2 LYS A 7 -8.767 -7.492 1.902 1.00 62.32 H new ATOM 0 HE3 LYS A 7 -9.492 -7.815 0.340 1.00 62.32 H new ATOM 0 HZ1 LYS A 7 -10.975 -8.424 2.137 1.00 23.24 H new ATOM 0 HZ2 LYS A 7 -10.526 -9.808 1.263 1.00 23.24 H new ATOM 0 HZ3 LYS A 7 -9.823 -9.495 2.776 1.00 23.24 H new ATOM 114 N GLU A 8 -2.513 -10.232 2.503 1.00 42.31 N ATOM 115 CA GLU A 8 -1.632 -11.146 3.221 1.00 52.30 C ATOM 116 C GLU A 8 -0.718 -10.382 4.176 1.00 21.34 C ATOM 117 O GLU A 8 -0.482 -10.815 5.304 1.00 41.32 O ATOM 118 CB GLU A 8 -0.792 -11.960 2.235 1.00 2.45 C ATOM 119 CG GLU A 8 -0.028 -13.101 2.885 1.00 4.33 C ATOM 120 CD GLU A 8 1.007 -13.713 1.961 1.00 63.25 C ATOM 121 OE1 GLU A 8 2.087 -13.108 1.798 1.00 43.21 O ATOM 122 OE2 GLU A 8 0.735 -14.794 1.399 1.00 62.24 O ATOM 0 H GLU A 8 -2.322 -10.159 1.504 1.00 42.31 H new ATOM 0 HA GLU A 8 -2.253 -11.825 3.805 1.00 52.30 H new ATOM 0 HB2 GLU A 8 -1.445 -12.365 1.462 1.00 2.45 H new ATOM 0 HB3 GLU A 8 -0.084 -11.296 1.739 1.00 2.45 H new ATOM 0 HG2 GLU A 8 0.466 -12.736 3.786 1.00 4.33 H new ATOM 0 HG3 GLU A 8 -0.732 -13.873 3.198 1.00 4.33 H new ATOM 129 N ILE A 9 -0.208 -9.245 3.715 1.00 64.31 N ATOM 130 CA ILE A 9 0.678 -8.423 4.528 1.00 53.21 C ATOM 131 C ILE A 9 -0.071 -7.798 5.699 1.00 73.31 C ATOM 132 O ILE A 9 0.527 -7.447 6.717 1.00 61.10 O ATOM 133 CB ILE A 9 1.328 -7.302 3.693 1.00 1.44 C ATOM 134 CG1 ILE A 9 2.245 -7.899 2.623 1.00 25.35 C ATOM 135 CG2 ILE A 9 2.105 -6.354 4.595 1.00 51.42 C ATOM 136 CD1 ILE A 9 3.432 -8.645 3.193 1.00 53.42 C ATOM 0 H ILE A 9 -0.393 -8.873 2.784 1.00 64.31 H new ATOM 0 HA ILE A 9 1.458 -9.082 4.909 1.00 53.21 H new ATOM 0 HB ILE A 9 0.541 -6.736 3.195 1.00 1.44 H new ATOM 0 HG12 ILE A 9 1.666 -8.578 1.997 1.00 25.35 H new ATOM 0 HG13 ILE A 9 2.605 -7.099 1.977 1.00 25.35 H new ATOM 0 HG21 ILE A 9 2.559 -5.568 3.992 1.00 51.42 H new ATOM 0 HG22 ILE A 9 1.428 -5.908 5.323 1.00 51.42 H new ATOM 0 HG23 ILE A 9 2.886 -6.907 5.117 1.00 51.42 H new ATOM 0 HD11 ILE A 9 4.038 -9.041 2.378 1.00 53.42 H new ATOM 0 HD12 ILE A 9 4.034 -7.965 3.796 1.00 53.42 H new ATOM 0 HD13 ILE A 9 3.080 -9.467 3.816 1.00 53.42 H new ATOM 148 N ASP A 10 -1.385 -7.664 5.550 1.00 11.51 N ATOM 149 CA ASP A 10 -2.218 -7.085 6.597 1.00 10.44 C ATOM 150 C ASP A 10 -2.480 -8.098 7.707 1.00 45.41 C ATOM 151 O ASP A 10 -3.563 -8.678 7.789 1.00 43.15 O ATOM 152 CB ASP A 10 -3.543 -6.596 6.011 1.00 21.44 C ATOM 153 CG ASP A 10 -3.402 -5.277 5.280 1.00 35.41 C ATOM 154 OD1 ASP A 10 -2.253 -4.844 5.051 1.00 25.14 O ATOM 155 OD2 ASP A 10 -4.440 -4.675 4.935 1.00 23.41 O ATOM 0 H ASP A 10 -1.896 -7.949 4.714 1.00 11.51 H new ATOM 0 HA ASP A 10 -1.684 -6.237 7.025 1.00 10.44 H new ATOM 0 HB2 ASP A 10 -3.933 -7.348 5.325 1.00 21.44 H new ATOM 0 HB3 ASP A 10 -4.273 -6.487 6.813 1.00 21.44 H new ATOM 160 N VAL A 11 -1.481 -8.308 8.557 1.00 21.23 N ATOM 161 CA VAL A 11 -1.603 -9.252 9.662 1.00 23.14 C ATOM 162 C VAL A 11 -2.746 -8.864 10.593 1.00 4.43 C ATOM 163 O VAL A 11 -3.240 -9.687 11.363 1.00 52.02 O ATOM 164 CB VAL A 11 -0.298 -9.337 10.476 1.00 71.21 C ATOM 165 CG1 VAL A 11 -0.374 -10.466 11.491 1.00 1.21 C ATOM 166 CG2 VAL A 11 0.896 -9.518 9.551 1.00 44.00 C ATOM 0 H VAL A 11 -0.578 -7.837 8.502 1.00 21.23 H new ATOM 0 HA VAL A 11 -1.812 -10.227 9.222 1.00 23.14 H new ATOM 0 HB VAL A 11 -0.168 -8.401 11.020 1.00 71.21 H new ATOM 0 HG11 VAL A 11 0.557 -10.510 12.056 1.00 1.21 H new ATOM 0 HG12 VAL A 11 -1.205 -10.286 12.173 1.00 1.21 H new ATOM 0 HG13 VAL A 11 -0.529 -11.412 10.972 1.00 1.21 H new ATOM 0 HG21 VAL A 11 1.809 -9.576 10.143 1.00 44.00 H new ATOM 0 HG22 VAL A 11 0.776 -10.437 8.978 1.00 44.00 H new ATOM 0 HG23 VAL A 11 0.959 -8.670 8.869 1.00 44.00 H new ATOM 176 N ASN A 12 -3.161 -7.604 10.518 1.00 74.32 N ATOM 177 CA ASN A 12 -4.247 -7.105 11.354 1.00 70.11 C ATOM 178 C ASN A 12 -5.603 -7.448 10.746 1.00 30.31 C ATOM 179 O ASN A 12 -6.648 -7.128 11.312 1.00 75.11 O ATOM 180 CB ASN A 12 -4.124 -5.591 11.535 1.00 23.25 C ATOM 181 CG ASN A 12 -3.773 -4.880 10.243 1.00 24.11 C ATOM 182 OD1 ASN A 12 -4.034 -5.388 9.152 1.00 72.21 O ATOM 183 ND2 ASN A 12 -3.177 -3.699 10.360 1.00 62.12 N ATOM 0 H ASN A 12 -2.762 -6.909 9.887 1.00 74.32 H new ATOM 0 HA ASN A 12 -4.174 -7.588 12.329 1.00 70.11 H new ATOM 0 HB2 ASN A 12 -5.065 -5.196 11.919 1.00 23.25 H new ATOM 0 HB3 ASN A 12 -3.360 -5.378 12.283 1.00 23.25 H new ATOM 0 HD21 ASN A 12 -2.916 -3.174 9.525 1.00 62.12 H new ATOM 0 HD22 ASN A 12 -2.980 -3.317 11.285 1.00 62.12 H new ATOM 190 N GLY A 13 -5.579 -8.102 9.589 1.00 43.13 N ATOM 191 CA GLY A 13 -6.813 -8.478 8.923 1.00 32.05 C ATOM 192 C GLY A 13 -7.775 -7.315 8.788 1.00 61.14 C ATOM 193 O GLY A 13 -8.966 -7.450 9.074 1.00 55.32 O ATOM 0 H GLY A 13 -4.727 -8.378 9.101 1.00 43.13 H new ATOM 0 HA2 GLY A 13 -6.583 -8.872 7.933 1.00 32.05 H new ATOM 0 HA3 GLY A 13 -7.294 -9.281 9.482 1.00 32.05 H new ATOM 197 N ASP A 14 -7.261 -6.171 8.351 1.00 33.34 N ATOM 198 CA ASP A 14 -8.083 -4.979 8.178 1.00 34.44 C ATOM 199 C ASP A 14 -8.337 -4.703 6.699 1.00 12.31 C ATOM 200 O ASP A 14 -9.239 -3.947 6.345 1.00 55.13 O ATOM 201 CB ASP A 14 -7.409 -3.769 8.828 1.00 4.24 C ATOM 202 CG ASP A 14 -5.989 -3.566 8.338 1.00 63.22 C ATOM 203 OD1 ASP A 14 -5.582 -4.270 7.390 1.00 62.21 O ATOM 204 OD2 ASP A 14 -5.284 -2.704 8.903 1.00 1.11 O ATOM 0 H ASP A 14 -6.278 -6.044 8.110 1.00 33.34 H new ATOM 0 HA ASP A 14 -9.042 -5.156 8.665 1.00 34.44 H new ATOM 0 HB2 ASP A 14 -7.994 -2.874 8.618 1.00 4.24 H new ATOM 0 HB3 ASP A 14 -7.402 -3.898 9.910 1.00 4.24 H new ATOM 209 N GLY A 15 -7.532 -5.322 5.841 1.00 11.42 N ATOM 210 CA GLY A 15 -7.683 -5.129 4.411 1.00 62.22 C ATOM 211 C GLY A 15 -7.346 -3.716 3.977 1.00 23.11 C ATOM 212 O GLY A 15 -7.749 -3.277 2.900 1.00 2.44 O ATOM 0 H GLY A 15 -6.778 -5.954 6.111 1.00 11.42 H new ATOM 0 HA2 GLY A 15 -7.038 -5.831 3.883 1.00 62.22 H new ATOM 0 HA3 GLY A 15 -8.709 -5.359 4.123 1.00 62.22 H new ATOM 216 N ALA A 16 -6.606 -3.001 4.818 1.00 4.23 N ATOM 217 CA ALA A 16 -6.214 -1.631 4.516 1.00 71.11 C ATOM 218 C ALA A 16 -4.731 -1.409 4.793 1.00 30.20 C ATOM 219 O ALA A 16 -4.209 -1.845 5.820 1.00 55.21 O ATOM 220 CB ALA A 16 -7.055 -0.651 5.321 1.00 22.42 C ATOM 0 H ALA A 16 -6.266 -3.349 5.715 1.00 4.23 H new ATOM 0 HA ALA A 16 -6.388 -1.456 3.454 1.00 71.11 H new ATOM 0 HB1 ALA A 16 -6.751 0.369 5.085 1.00 22.42 H new ATOM 0 HB2 ALA A 16 -8.107 -0.783 5.070 1.00 22.42 H new ATOM 0 HB3 ALA A 16 -6.910 -0.836 6.385 1.00 22.42 H new ATOM 226 N VAL A 17 -4.055 -0.732 3.871 1.00 74.35 N ATOM 227 CA VAL A 17 -2.632 -0.452 4.016 1.00 1.23 C ATOM 228 C VAL A 17 -2.353 1.043 3.922 1.00 43.31 C ATOM 229 O VAL A 17 -2.533 1.654 2.868 1.00 31.21 O ATOM 230 CB VAL A 17 -1.804 -1.187 2.944 1.00 13.31 C ATOM 231 CG1 VAL A 17 -0.361 -0.706 2.963 1.00 2.44 C ATOM 232 CG2 VAL A 17 -1.877 -2.691 3.154 1.00 4.14 C ATOM 0 H VAL A 17 -4.471 -0.367 3.014 1.00 74.35 H new ATOM 0 HA VAL A 17 -2.337 -0.811 5.002 1.00 1.23 H new ATOM 0 HB VAL A 17 -2.225 -0.960 1.964 1.00 13.31 H new ATOM 0 HG11 VAL A 17 0.209 -1.236 2.200 1.00 2.44 H new ATOM 0 HG12 VAL A 17 -0.332 0.365 2.760 1.00 2.44 H new ATOM 0 HG13 VAL A 17 0.075 -0.902 3.943 1.00 2.44 H new ATOM 0 HG21 VAL A 17 -1.287 -3.194 2.388 1.00 4.14 H new ATOM 0 HG22 VAL A 17 -1.482 -2.940 4.139 1.00 4.14 H new ATOM 0 HG23 VAL A 17 -2.915 -3.018 3.086 1.00 4.14 H new ATOM 242 N SER A 18 -1.910 1.628 5.030 1.00 62.04 N ATOM 243 CA SER A 18 -1.609 3.054 5.073 1.00 13.23 C ATOM 244 C SER A 18 -0.188 3.324 4.587 1.00 63.53 C ATOM 245 O SER A 18 0.570 2.396 4.302 1.00 20.33 O ATOM 246 CB SER A 18 -1.783 3.590 6.496 1.00 53.33 C ATOM 247 OG SER A 18 -1.891 2.531 7.431 1.00 2.11 O ATOM 0 H SER A 18 -1.752 1.137 5.910 1.00 62.04 H new ATOM 0 HA SER A 18 -2.305 3.568 4.410 1.00 13.23 H new ATOM 0 HB2 SER A 18 -0.935 4.223 6.756 1.00 53.33 H new ATOM 0 HB3 SER A 18 -2.674 4.215 6.546 1.00 53.33 H new ATOM 0 HG SER A 18 -2.000 2.900 8.332 1.00 2.11 H new ATOM 253 N TYR A 19 0.165 4.601 4.492 1.00 32.02 N ATOM 254 CA TYR A 19 1.493 4.996 4.037 1.00 5.14 C ATOM 255 C TYR A 19 2.577 4.249 4.809 1.00 14.20 C ATOM 256 O TYR A 19 3.608 3.876 4.250 1.00 74.54 O ATOM 257 CB TYR A 19 1.683 6.504 4.197 1.00 15.35 C ATOM 258 CG TYR A 19 1.810 6.949 5.637 1.00 45.22 C ATOM 259 CD1 TYR A 19 0.695 7.027 6.462 1.00 74.24 C ATOM 260 CD2 TYR A 19 3.046 7.292 6.172 1.00 74.13 C ATOM 261 CE1 TYR A 19 0.806 7.433 7.777 1.00 34.01 C ATOM 262 CE2 TYR A 19 3.166 7.698 7.487 1.00 1.53 C ATOM 263 CZ TYR A 19 2.044 7.767 8.285 1.00 73.11 C ATOM 264 OH TYR A 19 2.160 8.173 9.595 1.00 44.22 O ATOM 0 H TYR A 19 -0.450 5.381 4.724 1.00 32.02 H new ATOM 0 HA TYR A 19 1.580 4.737 2.982 1.00 5.14 H new ATOM 0 HB2 TYR A 19 2.576 6.809 3.651 1.00 15.35 H new ATOM 0 HB3 TYR A 19 0.838 7.019 3.740 1.00 15.35 H new ATOM 0 HD1 TYR A 19 -0.276 6.765 6.068 1.00 74.24 H new ATOM 0 HD2 TYR A 19 3.927 7.240 5.550 1.00 74.13 H new ATOM 0 HE1 TYR A 19 -0.071 7.489 8.404 1.00 34.01 H new ATOM 0 HE2 TYR A 19 4.134 7.960 7.888 1.00 1.53 H new ATOM 0 HH TYR A 19 3.099 8.370 9.794 1.00 44.22 H new ATOM 274 N GLU A 20 2.335 4.037 6.099 1.00 4.04 N ATOM 275 CA GLU A 20 3.291 3.336 6.950 1.00 40.24 C ATOM 276 C GLU A 20 3.325 1.847 6.617 1.00 62.33 C ATOM 277 O GLU A 20 4.395 1.246 6.528 1.00 25.32 O ATOM 278 CB GLU A 20 2.935 3.533 8.424 1.00 20.21 C ATOM 279 CG GLU A 20 3.946 4.370 9.189 1.00 42.54 C ATOM 280 CD GLU A 20 5.254 3.638 9.420 1.00 23.30 C ATOM 281 OE1 GLU A 20 5.264 2.393 9.306 1.00 15.35 O ATOM 282 OE2 GLU A 20 6.265 4.307 9.714 1.00 52.54 O ATOM 0 H GLU A 20 1.487 4.340 6.577 1.00 4.04 H new ATOM 0 HA GLU A 20 4.280 3.755 6.764 1.00 40.24 H new ATOM 0 HB2 GLU A 20 1.957 4.009 8.492 1.00 20.21 H new ATOM 0 HB3 GLU A 20 2.849 2.557 8.902 1.00 20.21 H new ATOM 0 HG2 GLU A 20 4.141 5.290 8.638 1.00 42.54 H new ATOM 0 HG3 GLU A 20 3.520 4.658 10.150 1.00 42.54 H new ATOM 289 N GLU A 21 2.146 1.260 6.435 1.00 52.14 N ATOM 290 CA GLU A 21 2.041 -0.159 6.113 1.00 33.14 C ATOM 291 C GLU A 21 2.749 -0.472 4.798 1.00 33.43 C ATOM 292 O GLU A 21 3.553 -1.400 4.720 1.00 1.41 O ATOM 293 CB GLU A 21 0.572 -0.577 6.028 1.00 2.13 C ATOM 294 CG GLU A 21 -0.006 -1.042 7.354 1.00 11.14 C ATOM 295 CD GLU A 21 -1.048 -2.131 7.187 1.00 52.10 C ATOM 296 OE1 GLU A 21 -0.682 -3.238 6.739 1.00 52.34 O ATOM 297 OE2 GLU A 21 -2.229 -1.877 7.503 1.00 12.43 O ATOM 0 H GLU A 21 1.251 1.744 6.505 1.00 52.14 H new ATOM 0 HA GLU A 21 2.526 -0.724 6.909 1.00 33.14 H new ATOM 0 HB2 GLU A 21 -0.016 0.264 5.660 1.00 2.13 H new ATOM 0 HB3 GLU A 21 0.473 -1.379 5.297 1.00 2.13 H new ATOM 0 HG2 GLU A 21 0.800 -1.410 7.988 1.00 11.14 H new ATOM 0 HG3 GLU A 21 -0.454 -0.192 7.869 1.00 11.14 H new ATOM 304 N VAL A 22 2.441 0.308 3.768 1.00 42.25 N ATOM 305 CA VAL A 22 3.046 0.115 2.455 1.00 5.32 C ATOM 306 C VAL A 22 4.562 0.263 2.522 1.00 4.14 C ATOM 307 O VAL A 22 5.301 -0.519 1.921 1.00 11.00 O ATOM 308 CB VAL A 22 2.489 1.117 1.426 1.00 23.35 C ATOM 309 CG1 VAL A 22 2.679 2.544 1.915 1.00 52.15 C ATOM 310 CG2 VAL A 22 3.152 0.914 0.072 1.00 14.04 C ATOM 0 H VAL A 22 1.776 1.080 3.817 1.00 42.25 H new ATOM 0 HA VAL A 22 2.795 -0.897 2.137 1.00 5.32 H new ATOM 0 HB VAL A 22 1.420 0.938 1.311 1.00 23.35 H new ATOM 0 HG11 VAL A 22 2.280 3.238 1.176 1.00 52.15 H new ATOM 0 HG12 VAL A 22 2.152 2.678 2.860 1.00 52.15 H new ATOM 0 HG13 VAL A 22 3.741 2.740 2.061 1.00 52.15 H new ATOM 0 HG21 VAL A 22 2.747 1.630 -0.643 1.00 14.04 H new ATOM 0 HG22 VAL A 22 4.227 1.065 0.167 1.00 14.04 H new ATOM 0 HG23 VAL A 22 2.958 -0.099 -0.280 1.00 14.04 H new ATOM 320 N LYS A 23 5.021 1.269 3.257 1.00 11.25 N ATOM 321 CA LYS A 23 6.449 1.520 3.406 1.00 2.40 C ATOM 322 C LYS A 23 7.155 0.309 4.009 1.00 14.01 C ATOM 323 O LYS A 23 8.200 -0.119 3.521 1.00 62.15 O ATOM 324 CB LYS A 23 6.684 2.750 4.285 1.00 34.33 C ATOM 325 CG LYS A 23 7.871 3.591 3.851 1.00 54.52 C ATOM 326 CD LYS A 23 9.187 2.962 4.276 1.00 24.24 C ATOM 327 CE LYS A 23 9.480 3.219 5.747 1.00 73.34 C ATOM 328 NZ LYS A 23 9.772 4.656 6.009 1.00 22.44 N ATOM 0 H LYS A 23 4.424 1.925 3.760 1.00 11.25 H new ATOM 0 HA LYS A 23 6.864 1.705 2.415 1.00 2.40 H new ATOM 0 HB2 LYS A 23 5.787 3.370 4.275 1.00 34.33 H new ATOM 0 HB3 LYS A 23 6.836 2.426 5.315 1.00 34.33 H new ATOM 0 HG2 LYS A 23 7.857 3.710 2.768 1.00 54.52 H new ATOM 0 HG3 LYS A 23 7.788 4.589 4.282 1.00 54.52 H new ATOM 0 HD2 LYS A 23 9.154 1.888 4.093 1.00 24.24 H new ATOM 0 HD3 LYS A 23 9.997 3.364 3.667 1.00 24.24 H new ATOM 0 HE2 LYS A 23 8.626 2.906 6.348 1.00 73.34 H new ATOM 0 HE3 LYS A 23 10.330 2.612 6.060 1.00 73.34 H new ATOM 0 HZ1 LYS A 23 10.270 4.749 6.917 1.00 22.44 H new ATOM 0 HZ2 LYS A 23 10.370 5.034 5.246 1.00 22.44 H new ATOM 0 HZ3 LYS A 23 8.880 5.190 6.047 1.00 22.44 H new ATOM 342 N ALA A 24 6.575 -0.239 5.072 1.00 24.22 N ATOM 343 CA ALA A 24 7.146 -1.402 5.739 1.00 3.51 C ATOM 344 C ALA A 24 7.161 -2.614 4.813 1.00 41.44 C ATOM 345 O ALA A 24 8.114 -3.393 4.810 1.00 3.42 O ATOM 346 CB ALA A 24 6.370 -1.717 7.009 1.00 1.10 C ATOM 0 H ALA A 24 5.710 0.104 5.489 1.00 24.22 H new ATOM 0 HA ALA A 24 8.177 -1.167 6.005 1.00 3.51 H new ATOM 0 HB1 ALA A 24 6.808 -2.588 7.496 1.00 1.10 H new ATOM 0 HB2 ALA A 24 6.415 -0.862 7.684 1.00 1.10 H new ATOM 0 HB3 ALA A 24 5.330 -1.926 6.758 1.00 1.10 H new ATOM 352 N PHE A 25 6.100 -2.766 4.027 1.00 14.04 N ATOM 353 CA PHE A 25 5.991 -3.884 3.097 1.00 10.21 C ATOM 354 C PHE A 25 7.241 -3.992 2.228 1.00 24.41 C ATOM 355 O PHE A 25 7.848 -5.058 2.125 1.00 2.31 O ATOM 356 CB PHE A 25 4.754 -3.719 2.212 1.00 25.32 C ATOM 357 CG PHE A 25 4.477 -4.911 1.341 1.00 63.21 C ATOM 358 CD1 PHE A 25 5.144 -6.108 1.550 1.00 42.43 C ATOM 359 CD2 PHE A 25 3.550 -4.835 0.314 1.00 0.20 C ATOM 360 CE1 PHE A 25 4.892 -7.206 0.748 1.00 14.33 C ATOM 361 CE2 PHE A 25 3.295 -5.930 -0.490 1.00 75.13 C ATOM 362 CZ PHE A 25 3.966 -7.117 -0.272 1.00 62.31 C ATOM 0 H PHE A 25 5.303 -2.129 4.016 1.00 14.04 H new ATOM 0 HA PHE A 25 5.894 -4.801 3.679 1.00 10.21 H new ATOM 0 HB2 PHE A 25 3.887 -3.532 2.845 1.00 25.32 H new ATOM 0 HB3 PHE A 25 4.883 -2.840 1.581 1.00 25.32 H new ATOM 0 HD1 PHE A 25 5.868 -6.184 2.348 1.00 42.43 H new ATOM 0 HD2 PHE A 25 3.021 -3.910 0.140 1.00 0.20 H new ATOM 0 HE1 PHE A 25 5.419 -8.133 0.920 1.00 14.33 H new ATOM 0 HE2 PHE A 25 2.571 -5.857 -1.288 1.00 75.13 H new ATOM 0 HZ PHE A 25 3.767 -7.974 -0.898 1.00 62.31 H new ATOM 372 N VAL A 26 7.618 -2.881 1.604 1.00 61.34 N ATOM 373 CA VAL A 26 8.795 -2.849 0.744 1.00 5.32 C ATOM 374 C VAL A 26 10.077 -2.968 1.562 1.00 63.23 C ATOM 375 O VAL A 26 11.086 -3.484 1.081 1.00 14.13 O ATOM 376 CB VAL A 26 8.848 -1.555 -0.088 1.00 35.40 C ATOM 377 CG1 VAL A 26 9.711 -0.510 0.604 1.00 65.11 C ATOM 378 CG2 VAL A 26 9.365 -1.842 -1.489 1.00 2.43 C ATOM 0 H VAL A 26 7.125 -1.991 1.678 1.00 61.34 H new ATOM 0 HA VAL A 26 8.717 -3.702 0.070 1.00 5.32 H new ATOM 0 HB VAL A 26 7.837 -1.158 -0.174 1.00 35.40 H new ATOM 0 HG11 VAL A 26 9.737 0.398 0.001 1.00 65.11 H new ATOM 0 HG12 VAL A 26 9.292 -0.283 1.584 1.00 65.11 H new ATOM 0 HG13 VAL A 26 10.724 -0.895 0.723 1.00 65.11 H new ATOM 0 HG21 VAL A 26 9.396 -0.916 -2.062 1.00 2.43 H new ATOM 0 HG22 VAL A 26 10.368 -2.264 -1.427 1.00 2.43 H new ATOM 0 HG23 VAL A 26 8.702 -2.553 -1.983 1.00 2.43 H new ATOM 388 N SER A 27 10.028 -2.489 2.800 1.00 53.14 N ATOM 389 CA SER A 27 11.186 -2.538 3.684 1.00 13.12 C ATOM 390 C SER A 27 11.544 -3.979 4.032 1.00 21.52 C ATOM 391 O SER A 27 12.671 -4.273 4.431 1.00 32.31 O ATOM 392 CB SER A 27 10.912 -1.746 4.964 1.00 33.24 C ATOM 393 OG SER A 27 11.703 -0.571 5.017 1.00 23.35 O ATOM 0 H SER A 27 9.199 -2.063 3.214 1.00 53.14 H new ATOM 0 HA SER A 27 12.030 -2.088 3.160 1.00 13.12 H new ATOM 0 HB2 SER A 27 9.856 -1.480 5.011 1.00 33.24 H new ATOM 0 HB3 SER A 27 11.123 -2.369 5.833 1.00 33.24 H new ATOM 0 HG SER A 27 11.508 -0.082 5.844 1.00 23.35 H new ATOM 399 N LYS A 28 10.576 -4.876 3.876 1.00 31.53 N ATOM 400 CA LYS A 28 10.786 -6.289 4.172 1.00 53.21 C ATOM 401 C LYS A 28 11.704 -6.929 3.137 1.00 5.44 C ATOM 402 O LYS A 28 12.141 -8.070 3.300 1.00 54.00 O ATOM 403 CB LYS A 28 9.446 -7.027 4.209 1.00 1.42 C ATOM 404 CG LYS A 28 8.641 -6.764 5.470 1.00 50.44 C ATOM 405 CD LYS A 28 9.329 -7.332 6.700 1.00 60.22 C ATOM 406 CE LYS A 28 9.481 -8.843 6.604 1.00 33.05 C ATOM 407 NZ LYS A 28 10.912 -9.254 6.559 1.00 73.30 N ATOM 0 H LYS A 28 9.638 -4.650 3.546 1.00 31.53 H new ATOM 0 HA LYS A 28 11.262 -6.365 5.150 1.00 53.21 H new ATOM 0 HB2 LYS A 28 8.854 -6.732 3.342 1.00 1.42 H new ATOM 0 HB3 LYS A 28 9.628 -8.098 4.121 1.00 1.42 H new ATOM 0 HG2 LYS A 28 8.499 -5.691 5.595 1.00 50.44 H new ATOM 0 HG3 LYS A 28 7.650 -7.207 5.369 1.00 50.44 H new ATOM 0 HD2 LYS A 28 10.311 -6.873 6.814 1.00 60.22 H new ATOM 0 HD3 LYS A 28 8.753 -7.079 7.590 1.00 60.22 H new ATOM 0 HE2 LYS A 28 8.995 -9.312 7.459 1.00 33.05 H new ATOM 0 HE3 LYS A 28 8.971 -9.203 5.711 1.00 33.05 H new ATOM 0 HZ1 LYS A 28 10.974 -10.290 6.494 1.00 73.30 H new ATOM 0 HZ2 LYS A 28 11.370 -8.827 5.729 1.00 73.30 H new ATOM 0 HZ3 LYS A 28 11.393 -8.932 7.423 1.00 73.30 H new ATOM 421 N LYS A 29 11.994 -6.191 2.071 1.00 61.11 N ATOM 422 CA LYS A 29 12.863 -6.686 1.009 1.00 31.55 C ATOM 423 C LYS A 29 14.246 -6.050 1.097 1.00 32.02 C ATOM 424 O LYS A 29 15.239 -6.639 0.671 1.00 62.12 O ATOM 425 CB LYS A 29 12.243 -6.399 -0.360 1.00 55.20 C ATOM 426 CG LYS A 29 10.746 -6.649 -0.415 1.00 74.15 C ATOM 427 CD LYS A 29 10.397 -8.050 0.056 1.00 2.02 C ATOM 428 CE LYS A 29 11.048 -9.110 -0.817 1.00 5.41 C ATOM 429 NZ LYS A 29 10.238 -10.360 -0.870 1.00 53.04 N ATOM 0 H LYS A 29 11.640 -5.247 1.919 1.00 61.11 H new ATOM 0 HA LYS A 29 12.970 -7.764 1.133 1.00 31.55 H new ATOM 0 HB2 LYS A 29 12.439 -5.361 -0.628 1.00 55.20 H new ATOM 0 HB3 LYS A 29 12.734 -7.020 -1.109 1.00 55.20 H new ATOM 0 HG2 LYS A 29 10.231 -5.916 0.206 1.00 74.15 H new ATOM 0 HG3 LYS A 29 10.390 -6.508 -1.436 1.00 74.15 H new ATOM 0 HD2 LYS A 29 10.721 -8.179 1.089 1.00 2.02 H new ATOM 0 HD3 LYS A 29 9.315 -8.180 0.042 1.00 2.02 H new ATOM 0 HE2 LYS A 29 11.179 -8.719 -1.826 1.00 5.41 H new ATOM 0 HE3 LYS A 29 12.042 -9.337 -0.432 1.00 5.41 H new ATOM 0 HZ1 LYS A 29 10.716 -11.058 -1.475 1.00 53.04 H new ATOM 0 HZ2 LYS A 29 10.134 -10.747 0.090 1.00 53.04 H new ATOM 0 HZ3 LYS A 29 9.298 -10.148 -1.261 1.00 53.04 H new ATOM 443 N ARG A 30 14.304 -4.845 1.656 1.00 52.24 N ATOM 444 CA ARG A 30 15.565 -4.129 1.799 1.00 1.32 C ATOM 445 C ARG A 30 15.374 -2.845 2.601 1.00 2.35 C ATOM 446 O ARG A 30 14.341 -2.650 3.242 1.00 44.34 O ATOM 447 CB ARG A 30 16.151 -3.802 0.424 1.00 21.14 C ATOM 448 CG ARG A 30 15.198 -3.030 -0.475 1.00 33.15 C ATOM 449 CD ARG A 30 15.489 -1.538 -0.443 1.00 33.25 C ATOM 450 NE ARG A 30 15.770 -1.005 -1.773 1.00 25.04 N ATOM 451 CZ ARG A 30 14.862 -0.921 -2.738 1.00 60.23 C ATOM 452 NH1 ARG A 30 13.619 -1.330 -2.521 1.00 71.43 N ATOM 453 NH2 ARG A 30 15.194 -0.425 -3.923 1.00 42.52 N ATOM 0 H ARG A 30 13.492 -4.345 2.017 1.00 52.24 H new ATOM 0 HA ARG A 30 16.260 -4.774 2.338 1.00 1.32 H new ATOM 0 HB2 ARG A 30 17.064 -3.221 0.556 1.00 21.14 H new ATOM 0 HB3 ARG A 30 16.433 -4.731 -0.072 1.00 21.14 H new ATOM 0 HG2 ARG A 30 15.283 -3.397 -1.498 1.00 33.15 H new ATOM 0 HG3 ARG A 30 14.171 -3.209 -0.157 1.00 33.15 H new ATOM 0 HD2 ARG A 30 14.636 -1.012 -0.015 1.00 33.25 H new ATOM 0 HD3 ARG A 30 16.341 -1.349 0.210 1.00 33.25 H new ATOM 0 HE ARG A 30 16.716 -0.679 -1.972 1.00 25.04 H new ATOM 0 HH11 ARG A 30 13.359 -1.710 -1.611 1.00 71.43 H new ATOM 0 HH12 ARG A 30 12.923 -1.264 -3.264 1.00 71.43 H new ATOM 0 HH21 ARG A 30 16.148 -0.107 -4.094 1.00 42.52 H new ATOM 0 HH22 ARG A 30 14.495 -0.361 -4.663 1.00 42.52 H new ATOM 467 N ALA A 31 16.377 -1.974 2.561 1.00 33.52 N ATOM 468 CA ALA A 31 16.318 -0.709 3.283 1.00 55.44 C ATOM 469 C ALA A 31 16.275 0.471 2.319 1.00 74.21 C ATOM 470 O ALA A 31 17.309 0.909 1.813 1.00 51.20 O ATOM 471 CB ALA A 31 17.508 -0.581 4.224 1.00 45.31 C ATOM 0 H ALA A 31 17.239 -2.121 2.037 1.00 33.52 H new ATOM 0 HA ALA A 31 15.401 -0.698 3.872 1.00 55.44 H new ATOM 0 HB1 ALA A 31 17.450 0.368 4.756 1.00 45.31 H new ATOM 0 HB2 ALA A 31 17.494 -1.401 4.942 1.00 45.31 H new ATOM 0 HB3 ALA A 31 18.433 -0.619 3.648 1.00 45.31 H new ATOM 477 N ILE A 32 15.074 0.982 2.068 1.00 61.01 N ATOM 478 CA ILE A 32 14.898 2.112 1.165 1.00 64.12 C ATOM 479 C ILE A 32 13.999 3.177 1.785 1.00 43.40 C ATOM 480 O ILE A 32 12.778 3.029 1.821 1.00 52.22 O ATOM 481 CB ILE A 32 14.294 1.667 -0.182 1.00 11.43 C ATOM 482 CG1 ILE A 32 14.081 2.877 -1.093 1.00 62.31 C ATOM 483 CG2 ILE A 32 12.984 0.928 0.044 1.00 34.11 C ATOM 484 CD1 ILE A 32 14.821 2.781 -2.409 1.00 13.42 C ATOM 0 H ILE A 32 14.208 0.631 2.478 1.00 61.01 H new ATOM 0 HA ILE A 32 15.888 2.533 0.989 1.00 64.12 H new ATOM 0 HB ILE A 32 14.991 0.987 -0.671 1.00 11.43 H new ATOM 0 HG12 ILE A 32 13.015 2.988 -1.292 1.00 62.31 H new ATOM 0 HG13 ILE A 32 14.403 3.777 -0.569 1.00 62.31 H new ATOM 0 HG21 ILE A 32 12.570 0.620 -0.916 1.00 34.11 H new ATOM 0 HG22 ILE A 32 13.165 0.047 0.660 1.00 34.11 H new ATOM 0 HG23 ILE A 32 12.278 1.586 0.550 1.00 34.11 H new ATOM 0 HD11 ILE A 32 14.624 3.673 -3.003 1.00 13.42 H new ATOM 0 HD12 ILE A 32 15.891 2.701 -2.220 1.00 13.42 H new ATOM 0 HD13 ILE A 32 14.482 1.900 -2.954 1.00 13.42 H new ATOM 496 N LYS A 33 14.613 4.251 2.270 1.00 24.40 N ATOM 497 CA LYS A 33 13.870 5.344 2.887 1.00 45.44 C ATOM 498 C LYS A 33 13.439 6.366 1.839 1.00 2.22 C ATOM 499 O LYS A 33 14.245 7.170 1.374 1.00 11.52 O ATOM 500 CB LYS A 33 14.721 6.025 3.960 1.00 2.40 C ATOM 501 CG LYS A 33 15.626 5.067 4.717 1.00 20.32 C ATOM 502 CD LYS A 33 16.107 5.672 6.025 1.00 73.43 C ATOM 503 CE LYS A 33 17.471 5.130 6.421 1.00 5.14 C ATOM 504 NZ LYS A 33 17.417 4.372 7.702 1.00 24.14 N ATOM 0 H LYS A 33 15.624 4.388 2.248 1.00 24.40 H new ATOM 0 HA LYS A 33 12.977 4.927 3.352 1.00 45.44 H new ATOM 0 HB2 LYS A 33 15.333 6.796 3.492 1.00 2.40 H new ATOM 0 HB3 LYS A 33 14.063 6.527 4.669 1.00 2.40 H new ATOM 0 HG2 LYS A 33 15.089 4.140 4.919 1.00 20.32 H new ATOM 0 HG3 LYS A 33 16.484 4.809 4.097 1.00 20.32 H new ATOM 0 HD2 LYS A 33 16.159 6.756 5.928 1.00 73.43 H new ATOM 0 HD3 LYS A 33 15.386 5.457 6.814 1.00 73.43 H new ATOM 0 HE2 LYS A 33 17.847 4.481 5.630 1.00 5.14 H new ATOM 0 HE3 LYS A 33 18.176 5.956 6.517 1.00 5.14 H new ATOM 0 HZ1 LYS A 33 18.367 4.019 7.937 1.00 24.14 H new ATOM 0 HZ2 LYS A 33 17.082 4.998 8.462 1.00 24.14 H new ATOM 0 HZ3 LYS A 33 16.764 3.569 7.603 1.00 24.14 H new ATOM 518 N ASN A 34 12.161 6.331 1.475 1.00 3.15 N ATOM 519 CA ASN A 34 11.623 7.255 0.485 1.00 53.25 C ATOM 520 C ASN A 34 10.423 8.014 1.043 1.00 4.44 C ATOM 521 O ASN A 34 9.308 7.495 1.070 1.00 70.30 O ATOM 522 CB ASN A 34 11.217 6.498 -0.782 1.00 54.41 C ATOM 523 CG ASN A 34 12.392 6.255 -1.711 1.00 71.42 C ATOM 524 OD1 ASN A 34 12.626 5.130 -2.151 1.00 24.24 O ATOM 525 ND2 ASN A 34 13.136 7.312 -2.014 1.00 53.04 N ATOM 0 H ASN A 34 11.479 5.672 1.851 1.00 3.15 H new ATOM 0 HA ASN A 34 12.402 7.976 0.237 1.00 53.25 H new ATOM 0 HB2 ASN A 34 10.773 5.542 -0.504 1.00 54.41 H new ATOM 0 HB3 ASN A 34 10.450 7.064 -1.311 1.00 54.41 H new ATOM 0 HD21 ASN A 34 13.939 7.210 -2.635 1.00 53.04 H new ATOM 0 HD22 ASN A 34 12.905 8.227 -1.626 1.00 53.04 H new ATOM 532 N GLU A 35 10.662 9.244 1.488 1.00 43.23 N ATOM 533 CA GLU A 35 9.600 10.072 2.046 1.00 13.02 C ATOM 534 C GLU A 35 8.711 10.635 0.941 1.00 31.30 C ATOM 535 O GLU A 35 7.486 10.633 1.055 1.00 20.33 O ATOM 536 CB GLU A 35 10.196 11.217 2.869 1.00 23.21 C ATOM 537 CG GLU A 35 9.692 11.264 4.301 1.00 4.31 C ATOM 538 CD GLU A 35 8.539 12.230 4.483 1.00 75.22 C ATOM 539 OE1 GLU A 35 8.789 13.453 4.520 1.00 15.13 O ATOM 540 OE2 GLU A 35 7.385 11.764 4.587 1.00 34.33 O ATOM 0 H GLU A 35 11.580 9.688 1.473 1.00 43.23 H new ATOM 0 HA GLU A 35 8.989 9.446 2.696 1.00 13.02 H new ATOM 0 HB2 GLU A 35 11.282 11.120 2.878 1.00 23.21 H new ATOM 0 HB3 GLU A 35 9.965 12.163 2.380 1.00 23.21 H new ATOM 0 HG2 GLU A 35 9.376 10.266 4.604 1.00 4.31 H new ATOM 0 HG3 GLU A 35 10.510 11.553 4.961 1.00 4.31 H new ATOM 547 N GLN A 36 9.338 11.117 -0.128 1.00 12.42 N ATOM 548 CA GLN A 36 8.604 11.684 -1.253 1.00 74.51 C ATOM 549 C GLN A 36 7.962 10.585 -2.093 1.00 75.12 C ATOM 550 O GLN A 36 6.765 10.628 -2.380 1.00 43.34 O ATOM 551 CB GLN A 36 9.535 12.530 -2.122 1.00 4.41 C ATOM 552 CG GLN A 36 8.933 12.913 -3.464 1.00 53.13 C ATOM 553 CD GLN A 36 9.094 14.387 -3.776 1.00 15.21 C ATOM 554 OE1 GLN A 36 10.194 14.935 -3.690 1.00 33.32 O ATOM 555 NE2 GLN A 36 7.997 15.040 -4.142 1.00 11.42 N ATOM 0 H GLN A 36 10.352 11.126 -0.238 1.00 12.42 H new ATOM 0 HA GLN A 36 7.813 12.320 -0.855 1.00 74.51 H new ATOM 0 HB2 GLN A 36 9.800 13.438 -1.580 1.00 4.41 H new ATOM 0 HB3 GLN A 36 10.460 11.979 -2.292 1.00 4.41 H new ATOM 0 HG2 GLN A 36 9.406 12.325 -4.251 1.00 53.13 H new ATOM 0 HG3 GLN A 36 7.873 12.658 -3.469 1.00 53.13 H new ATOM 0 HE21 GLN A 36 7.106 14.547 -4.200 1.00 11.42 H new ATOM 0 HE22 GLN A 36 8.046 16.034 -4.365 1.00 11.42 H new ATOM 564 N LEU A 37 8.765 9.602 -2.484 1.00 61.14 N ATOM 565 CA LEU A 37 8.275 8.490 -3.293 1.00 74.43 C ATOM 566 C LEU A 37 7.098 7.800 -2.612 1.00 62.42 C ATOM 567 O LEU A 37 6.054 7.578 -3.228 1.00 32.12 O ATOM 568 CB LEU A 37 9.398 7.482 -3.543 1.00 50.00 C ATOM 569 CG LEU A 37 9.456 6.877 -4.946 1.00 54.12 C ATOM 570 CD1 LEU A 37 9.971 7.899 -5.948 1.00 72.21 C ATOM 571 CD2 LEU A 37 10.331 5.632 -4.955 1.00 31.33 C ATOM 0 H LEU A 37 9.758 9.552 -2.255 1.00 61.14 H new ATOM 0 HA LEU A 37 7.935 8.889 -4.249 1.00 74.43 H new ATOM 0 HB2 LEU A 37 10.351 7.972 -3.340 1.00 50.00 H new ATOM 0 HB3 LEU A 37 9.297 6.670 -2.823 1.00 50.00 H new ATOM 0 HG LEU A 37 8.446 6.589 -5.238 1.00 54.12 H new ATOM 0 HD11 LEU A 37 10.005 7.450 -6.941 1.00 72.21 H new ATOM 0 HD12 LEU A 37 9.305 8.762 -5.963 1.00 72.21 H new ATOM 0 HD13 LEU A 37 10.972 8.219 -5.660 1.00 72.21 H new ATOM 0 HD21 LEU A 37 10.360 5.215 -5.962 1.00 31.33 H new ATOM 0 HD22 LEU A 37 11.341 5.895 -4.642 1.00 31.33 H new ATOM 0 HD23 LEU A 37 9.919 4.893 -4.268 1.00 31.33 H new ATOM 583 N LEU A 38 7.272 7.463 -1.339 1.00 63.34 N ATOM 584 CA LEU A 38 6.222 6.798 -0.573 1.00 54.51 C ATOM 585 C LEU A 38 4.968 7.663 -0.505 1.00 61.41 C ATOM 586 O LEU A 38 3.853 7.167 -0.663 1.00 72.13 O ATOM 587 CB LEU A 38 6.717 6.484 0.839 1.00 3.34 C ATOM 588 CG LEU A 38 5.841 5.539 1.663 1.00 42.40 C ATOM 589 CD1 LEU A 38 4.567 6.242 2.106 1.00 11.32 C ATOM 590 CD2 LEU A 38 5.511 4.287 0.863 1.00 25.43 C ATOM 0 H LEU A 38 8.129 7.639 -0.815 1.00 63.34 H new ATOM 0 HA LEU A 38 5.970 5.866 -1.079 1.00 54.51 H new ATOM 0 HB2 LEU A 38 7.714 6.050 0.765 1.00 3.34 H new ATOM 0 HB3 LEU A 38 6.817 7.422 1.384 1.00 3.34 H new ATOM 0 HG LEU A 38 6.396 5.243 2.553 1.00 42.40 H new ATOM 0 HD11 LEU A 38 3.956 5.554 2.691 1.00 11.32 H new ATOM 0 HD12 LEU A 38 4.823 7.109 2.716 1.00 11.32 H new ATOM 0 HD13 LEU A 38 4.008 6.568 1.229 1.00 11.32 H new ATOM 0 HD21 LEU A 38 4.887 3.625 1.464 1.00 25.43 H new ATOM 0 HD22 LEU A 38 4.975 4.566 -0.044 1.00 25.43 H new ATOM 0 HD23 LEU A 38 6.434 3.772 0.596 1.00 25.43 H new ATOM 602 N GLN A 39 5.159 8.957 -0.269 1.00 5.31 N ATOM 603 CA GLN A 39 4.043 9.890 -0.182 1.00 14.01 C ATOM 604 C GLN A 39 3.278 9.950 -1.500 1.00 12.03 C ATOM 605 O GLN A 39 2.059 9.776 -1.531 1.00 12.10 O ATOM 606 CB GLN A 39 4.545 11.285 0.194 1.00 15.34 C ATOM 607 CG GLN A 39 4.401 11.605 1.673 1.00 55.13 C ATOM 608 CD GLN A 39 2.960 11.561 2.142 1.00 13.22 C ATOM 609 OE1 GLN A 39 2.565 10.663 2.886 1.00 22.12 O ATOM 610 NE2 GLN A 39 2.165 12.533 1.709 1.00 11.34 N ATOM 0 H GLN A 39 6.076 9.383 -0.135 1.00 5.31 H new ATOM 0 HA GLN A 39 3.365 9.534 0.594 1.00 14.01 H new ATOM 0 HB2 GLN A 39 5.594 11.373 -0.088 1.00 15.34 H new ATOM 0 HB3 GLN A 39 3.996 12.028 -0.385 1.00 15.34 H new ATOM 0 HG2 GLN A 39 4.990 10.895 2.253 1.00 55.13 H new ATOM 0 HG3 GLN A 39 4.813 12.595 1.868 1.00 55.13 H new ATOM 0 HE21 GLN A 39 2.534 13.258 1.093 1.00 11.34 H new ATOM 0 HE22 GLN A 39 1.185 12.555 1.992 1.00 11.34 H new ATOM 619 N LEU A 40 4.001 10.198 -2.587 1.00 34.25 N ATOM 620 CA LEU A 40 3.391 10.281 -3.909 1.00 75.32 C ATOM 621 C LEU A 40 2.755 8.952 -4.299 1.00 23.21 C ATOM 622 O LEU A 40 1.587 8.902 -4.688 1.00 64.21 O ATOM 623 CB LEU A 40 4.437 10.685 -4.950 1.00 32.23 C ATOM 624 CG LEU A 40 3.972 11.673 -6.020 1.00 14.22 C ATOM 625 CD1 LEU A 40 5.068 11.899 -7.049 1.00 51.24 C ATOM 626 CD2 LEU A 40 2.701 11.174 -6.692 1.00 41.31 C ATOM 0 H LEU A 40 5.010 10.345 -2.578 1.00 34.25 H new ATOM 0 HA LEU A 40 2.609 11.040 -3.875 1.00 75.32 H new ATOM 0 HB2 LEU A 40 5.290 11.120 -4.429 1.00 32.23 H new ATOM 0 HB3 LEU A 40 4.793 9.783 -5.447 1.00 32.23 H new ATOM 0 HG LEU A 40 3.753 12.625 -5.537 1.00 14.22 H new ATOM 0 HD11 LEU A 40 4.719 12.605 -7.803 1.00 51.24 H new ATOM 0 HD12 LEU A 40 5.953 12.302 -6.556 1.00 51.24 H new ATOM 0 HD13 LEU A 40 5.319 10.952 -7.527 1.00 51.24 H new ATOM 0 HD21 LEU A 40 2.385 11.890 -7.451 1.00 41.31 H new ATOM 0 HD22 LEU A 40 2.892 10.209 -7.161 1.00 41.31 H new ATOM 0 HD23 LEU A 40 1.914 11.065 -5.946 1.00 41.31 H new ATOM 638 N ILE A 41 3.528 7.876 -4.192 1.00 12.31 N ATOM 639 CA ILE A 41 3.038 6.546 -4.530 1.00 73.05 C ATOM 640 C ILE A 41 1.845 6.163 -3.663 1.00 21.21 C ATOM 641 O ILE A 41 0.940 5.457 -4.109 1.00 63.32 O ATOM 642 CB ILE A 41 4.140 5.483 -4.368 1.00 30.14 C ATOM 643 CG1 ILE A 41 5.274 5.736 -5.363 1.00 0.53 C ATOM 644 CG2 ILE A 41 3.562 4.088 -4.558 1.00 44.50 C ATOM 645 CD1 ILE A 41 6.505 4.895 -5.102 1.00 52.52 C ATOM 0 H ILE A 41 4.497 7.900 -3.874 1.00 12.31 H new ATOM 0 HA ILE A 41 2.728 6.579 -5.574 1.00 73.05 H new ATOM 0 HB ILE A 41 4.546 5.553 -3.359 1.00 30.14 H new ATOM 0 HG12 ILE A 41 4.913 5.535 -6.372 1.00 0.53 H new ATOM 0 HG13 ILE A 41 5.550 6.790 -5.327 1.00 0.53 H new ATOM 0 HG21 ILE A 41 4.353 3.347 -4.441 1.00 44.50 H new ATOM 0 HG22 ILE A 41 2.786 3.911 -3.813 1.00 44.50 H new ATOM 0 HG23 ILE A 41 3.133 4.005 -5.556 1.00 44.50 H new ATOM 0 HD11 ILE A 41 7.268 5.126 -5.845 1.00 52.52 H new ATOM 0 HD12 ILE A 41 6.890 5.113 -4.106 1.00 52.52 H new ATOM 0 HD13 ILE A 41 6.244 3.839 -5.167 1.00 52.52 H new ATOM 657 N PHE A 42 1.847 6.634 -2.420 1.00 5.51 N ATOM 658 CA PHE A 42 0.765 6.340 -1.488 1.00 52.24 C ATOM 659 C PHE A 42 -0.567 6.861 -2.022 1.00 42.42 C ATOM 660 O PHE A 42 -1.550 6.123 -2.097 1.00 51.23 O ATOM 661 CB PHE A 42 1.057 6.962 -0.121 1.00 12.32 C ATOM 662 CG PHE A 42 -0.146 7.033 0.775 1.00 61.20 C ATOM 663 CD1 PHE A 42 -0.590 5.909 1.452 1.00 3.10 C ATOM 664 CD2 PHE A 42 -0.834 8.225 0.940 1.00 21.41 C ATOM 665 CE1 PHE A 42 -1.698 5.971 2.276 1.00 10.44 C ATOM 666 CE2 PHE A 42 -1.942 8.294 1.764 1.00 43.13 C ATOM 667 CZ PHE A 42 -2.373 7.165 2.433 1.00 20.44 C ATOM 0 H PHE A 42 2.587 7.221 -2.035 1.00 5.51 H new ATOM 0 HA PHE A 42 0.696 5.258 -1.379 1.00 52.24 H new ATOM 0 HB2 PHE A 42 1.835 6.382 0.374 1.00 12.32 H new ATOM 0 HB3 PHE A 42 1.452 7.967 -0.265 1.00 12.32 H new ATOM 0 HD1 PHE A 42 -0.064 4.973 1.335 1.00 3.10 H new ATOM 0 HD2 PHE A 42 -0.501 9.110 0.419 1.00 21.41 H new ATOM 0 HE1 PHE A 42 -2.035 5.087 2.796 1.00 10.44 H new ATOM 0 HE2 PHE A 42 -2.469 9.229 1.884 1.00 43.13 H new ATOM 0 HZ PHE A 42 -3.237 7.216 3.078 1.00 20.44 H new ATOM 677 N LYS A 43 -0.591 8.137 -2.391 1.00 32.51 N ATOM 678 CA LYS A 43 -1.800 8.759 -2.918 1.00 22.34 C ATOM 679 C LYS A 43 -2.117 8.234 -4.315 1.00 14.21 C ATOM 680 O LYS A 43 -3.278 8.188 -4.723 1.00 12.34 O ATOM 681 CB LYS A 43 -1.641 10.280 -2.958 1.00 31.15 C ATOM 682 CG LYS A 43 -2.884 11.034 -2.516 1.00 23.23 C ATOM 683 CD LYS A 43 -2.621 12.526 -2.405 1.00 61.35 C ATOM 684 CE LYS A 43 -3.556 13.324 -3.302 1.00 42.52 C ATOM 685 NZ LYS A 43 -2.976 14.646 -3.670 1.00 21.51 N ATOM 0 H LYS A 43 0.214 8.761 -2.335 1.00 32.51 H new ATOM 0 HA LYS A 43 -2.627 8.504 -2.256 1.00 22.34 H new ATOM 0 HB2 LYS A 43 -0.806 10.566 -2.319 1.00 31.15 H new ATOM 0 HB3 LYS A 43 -1.384 10.583 -3.973 1.00 31.15 H new ATOM 0 HG2 LYS A 43 -3.690 10.858 -3.228 1.00 23.23 H new ATOM 0 HG3 LYS A 43 -3.220 10.650 -1.553 1.00 23.23 H new ATOM 0 HD2 LYS A 43 -2.749 12.843 -1.370 1.00 61.35 H new ATOM 0 HD3 LYS A 43 -1.587 12.736 -2.677 1.00 61.35 H new ATOM 0 HE2 LYS A 43 -3.765 12.754 -4.207 1.00 42.52 H new ATOM 0 HE3 LYS A 43 -4.508 13.474 -2.793 1.00 42.52 H new ATOM 0 HZ1 LYS A 43 -3.643 15.159 -4.281 1.00 21.51 H new ATOM 0 HZ2 LYS A 43 -2.800 15.200 -2.808 1.00 21.51 H new ATOM 0 HZ3 LYS A 43 -2.080 14.503 -4.178 1.00 21.51 H new ATOM 699 N SER A 44 -1.078 7.838 -5.042 1.00 43.24 N ATOM 700 CA SER A 44 -1.245 7.318 -6.395 1.00 74.33 C ATOM 701 C SER A 44 -1.906 5.943 -6.371 1.00 52.40 C ATOM 702 O SER A 44 -2.891 5.704 -7.069 1.00 60.21 O ATOM 703 CB SER A 44 0.108 7.235 -7.104 1.00 33.30 C ATOM 704 OG SER A 44 0.434 8.465 -7.727 1.00 25.11 O ATOM 0 H SER A 44 -0.111 7.867 -4.718 1.00 43.24 H new ATOM 0 HA SER A 44 -1.892 8.003 -6.943 1.00 74.33 H new ATOM 0 HB2 SER A 44 0.883 6.971 -6.385 1.00 33.30 H new ATOM 0 HB3 SER A 44 0.083 6.441 -7.851 1.00 33.30 H new ATOM 0 HG SER A 44 1.304 8.386 -8.171 1.00 25.11 H new ATOM 710 N ILE A 45 -1.355 5.044 -5.562 1.00 53.35 N ATOM 711 CA ILE A 45 -1.890 3.693 -5.446 1.00 30.40 C ATOM 712 C ILE A 45 -3.278 3.705 -4.815 1.00 21.53 C ATOM 713 O ILE A 45 -4.173 2.978 -5.247 1.00 70.52 O ATOM 714 CB ILE A 45 -0.965 2.791 -4.608 1.00 14.21 C ATOM 715 CG1 ILE A 45 0.394 2.640 -5.295 1.00 65.11 C ATOM 716 CG2 ILE A 45 -1.608 1.431 -4.387 1.00 12.11 C ATOM 717 CD1 ILE A 45 1.377 1.800 -4.510 1.00 4.44 C ATOM 0 H ILE A 45 -0.539 5.227 -4.978 1.00 53.35 H new ATOM 0 HA ILE A 45 -1.956 3.291 -6.457 1.00 30.40 H new ATOM 0 HB ILE A 45 -0.810 3.258 -3.636 1.00 14.21 H new ATOM 0 HG12 ILE A 45 0.248 2.191 -6.277 1.00 65.11 H new ATOM 0 HG13 ILE A 45 0.822 3.629 -5.457 1.00 65.11 H new ATOM 0 HG21 ILE A 45 -0.941 0.806 -3.793 1.00 12.11 H new ATOM 0 HG22 ILE A 45 -2.553 1.557 -3.859 1.00 12.11 H new ATOM 0 HG23 ILE A 45 -1.791 0.954 -5.350 1.00 12.11 H new ATOM 0 HD11 ILE A 45 2.318 1.736 -5.056 1.00 4.44 H new ATOM 0 HD12 ILE A 45 1.553 2.259 -3.537 1.00 4.44 H new ATOM 0 HD13 ILE A 45 0.970 0.799 -4.370 1.00 4.44 H new ATOM 729 N ASP A 46 -3.450 4.534 -3.791 1.00 4.32 N ATOM 730 CA ASP A 46 -4.730 4.642 -3.102 1.00 12.41 C ATOM 731 C ASP A 46 -5.768 5.323 -3.988 1.00 35.15 C ATOM 732 O ASP A 46 -5.578 6.458 -4.424 1.00 41.33 O ATOM 733 CB ASP A 46 -4.566 5.421 -1.795 1.00 42.21 C ATOM 734 CG ASP A 46 -5.551 4.981 -0.731 1.00 51.23 C ATOM 735 OD1 ASP A 46 -6.615 4.439 -1.095 1.00 44.52 O ATOM 736 OD2 ASP A 46 -5.259 5.180 0.467 1.00 74.25 O ATOM 0 H ASP A 46 -2.719 5.141 -3.420 1.00 4.32 H new ATOM 0 HA ASP A 46 -5.078 3.635 -2.874 1.00 12.41 H new ATOM 0 HB2 ASP A 46 -3.550 5.289 -1.422 1.00 42.21 H new ATOM 0 HB3 ASP A 46 -4.698 6.485 -1.991 1.00 42.21 H new ATOM 741 N ALA A 47 -6.867 4.622 -4.249 1.00 52.22 N ATOM 742 CA ALA A 47 -7.935 5.160 -5.083 1.00 61.50 C ATOM 743 C ALA A 47 -8.555 6.400 -4.448 1.00 24.23 C ATOM 744 O ALA A 47 -8.820 7.391 -5.128 1.00 63.44 O ATOM 745 CB ALA A 47 -8.999 4.099 -5.325 1.00 33.43 C ATOM 0 H ALA A 47 -7.041 3.681 -3.895 1.00 52.22 H new ATOM 0 HA ALA A 47 -7.504 5.452 -6.041 1.00 61.50 H new ATOM 0 HB1 ALA A 47 -9.791 4.513 -5.949 1.00 33.43 H new ATOM 0 HB2 ALA A 47 -8.551 3.243 -5.829 1.00 33.43 H new ATOM 0 HB3 ALA A 47 -9.418 3.780 -4.371 1.00 33.43 H new ATOM 751 N ASP A 48 -8.785 6.338 -3.140 1.00 65.15 N ATOM 752 CA ASP A 48 -9.374 7.456 -2.414 1.00 64.01 C ATOM 753 C ASP A 48 -8.338 8.129 -1.519 1.00 43.22 C ATOM 754 O ASP A 48 -8.531 9.256 -1.068 1.00 15.00 O ATOM 755 CB ASP A 48 -10.559 6.978 -1.573 1.00 64.14 C ATOM 756 CG ASP A 48 -10.170 5.894 -0.587 1.00 0.43 C ATOM 757 OD1 ASP A 48 -8.993 5.474 -0.601 1.00 62.44 O ATOM 758 OD2 ASP A 48 -11.041 5.467 0.199 1.00 1.32 O ATOM 0 H ASP A 48 -8.572 5.525 -2.562 1.00 65.15 H new ATOM 0 HA ASP A 48 -9.727 8.185 -3.143 1.00 64.01 H new ATOM 0 HB2 ASP A 48 -10.980 7.824 -1.030 1.00 64.14 H new ATOM 0 HB3 ASP A 48 -11.341 6.601 -2.233 1.00 64.14 H new ATOM 763 N GLY A 49 -7.237 7.427 -1.265 1.00 43.34 N ATOM 764 CA GLY A 49 -6.187 7.971 -0.424 1.00 64.04 C ATOM 765 C GLY A 49 -6.684 8.337 0.960 1.00 24.21 C ATOM 766 O GLY A 49 -6.204 9.292 1.568 1.00 4.23 O ATOM 0 H GLY A 49 -7.054 6.491 -1.627 1.00 43.34 H new ATOM 0 HA2 GLY A 49 -5.382 7.242 -0.336 1.00 64.04 H new ATOM 0 HA3 GLY A 49 -5.765 8.856 -0.901 1.00 64.04 H new ATOM 770 N ASN A 50 -7.652 7.574 1.460 1.00 14.33 N ATOM 771 CA ASN A 50 -8.216 7.825 2.781 1.00 21.55 C ATOM 772 C ASN A 50 -7.352 7.195 3.869 1.00 35.35 C ATOM 773 O ASN A 50 -7.668 6.124 4.386 1.00 32.51 O ATOM 774 CB ASN A 50 -9.641 7.273 2.863 1.00 63.02 C ATOM 775 CG ASN A 50 -9.698 5.779 2.609 1.00 53.33 C ATOM 776 OD1 ASN A 50 -8.809 5.212 1.974 1.00 5.44 O ATOM 777 ND2 ASN A 50 -10.748 5.135 3.105 1.00 64.54 N ATOM 0 H ASN A 50 -8.061 6.778 0.971 1.00 14.33 H new ATOM 0 HA ASN A 50 -8.241 8.903 2.940 1.00 21.55 H new ATOM 0 HB2 ASN A 50 -10.054 7.487 3.849 1.00 63.02 H new ATOM 0 HB3 ASN A 50 -10.269 7.787 2.135 1.00 63.02 H new ATOM 0 HD21 ASN A 50 -10.842 4.129 2.966 1.00 64.54 H new ATOM 0 HD22 ASN A 50 -11.461 5.646 3.625 1.00 64.54 H new ATOM 784 N GLY A 51 -6.259 7.870 4.215 1.00 70.33 N ATOM 785 CA GLY A 51 -5.367 7.362 5.240 1.00 42.43 C ATOM 786 C GLY A 51 -4.635 6.109 4.803 1.00 0.33 C ATOM 787 O GLY A 51 -3.433 5.973 5.031 1.00 73.22 O ATOM 0 H GLY A 51 -5.976 8.759 3.803 1.00 70.33 H new ATOM 0 HA2 GLY A 51 -4.640 8.132 5.499 1.00 42.43 H new ATOM 0 HA3 GLY A 51 -5.940 7.148 6.142 1.00 42.43 H new ATOM 791 N GLU A 52 -5.361 5.190 4.174 1.00 20.41 N ATOM 792 CA GLU A 52 -4.773 3.940 3.707 1.00 31.43 C ATOM 793 C GLU A 52 -5.521 3.409 2.488 1.00 42.20 C ATOM 794 O GLU A 52 -6.637 3.841 2.194 1.00 3.54 O ATOM 795 CB GLU A 52 -4.788 2.895 4.824 1.00 52.11 C ATOM 796 CG GLU A 52 -6.100 2.840 5.590 1.00 51.51 C ATOM 797 CD GLU A 52 -7.305 2.746 4.674 1.00 35.21 C ATOM 798 OE1 GLU A 52 -7.358 1.805 3.857 1.00 4.12 O ATOM 799 OE2 GLU A 52 -8.196 3.616 4.777 1.00 31.12 O ATOM 0 H GLU A 52 -6.357 5.288 3.976 1.00 20.41 H new ATOM 0 HA GLU A 52 -3.741 4.139 3.420 1.00 31.43 H new ATOM 0 HB2 GLU A 52 -4.587 1.914 4.394 1.00 52.11 H new ATOM 0 HB3 GLU A 52 -3.979 3.110 5.522 1.00 52.11 H new ATOM 0 HG2 GLU A 52 -6.090 1.981 6.260 1.00 51.51 H new ATOM 0 HG3 GLU A 52 -6.190 3.730 6.213 1.00 51.51 H new ATOM 806 N ILE A 53 -4.900 2.471 1.782 1.00 4.15 N ATOM 807 CA ILE A 53 -5.506 1.879 0.596 1.00 73.20 C ATOM 808 C ILE A 53 -6.244 0.590 0.940 1.00 31.23 C ATOM 809 O ILE A 53 -5.649 -0.361 1.447 1.00 44.04 O ATOM 810 CB ILE A 53 -4.452 1.582 -0.486 1.00 61.12 C ATOM 811 CG1 ILE A 53 -3.438 2.724 -0.569 1.00 3.22 C ATOM 812 CG2 ILE A 53 -5.123 1.363 -1.834 1.00 32.53 C ATOM 813 CD1 ILE A 53 -2.047 2.331 -0.122 1.00 11.14 C ATOM 0 H ILE A 53 -3.976 2.104 2.011 1.00 4.15 H new ATOM 0 HA ILE A 53 -6.217 2.608 0.208 1.00 73.20 H new ATOM 0 HB ILE A 53 -3.921 0.670 -0.214 1.00 61.12 H new ATOM 0 HG12 ILE A 53 -3.392 3.084 -1.597 1.00 3.22 H new ATOM 0 HG13 ILE A 53 -3.787 3.554 0.045 1.00 3.22 H new ATOM 0 HG21 ILE A 53 -4.364 1.154 -2.588 1.00 32.53 H new ATOM 0 HG22 ILE A 53 -5.809 0.519 -1.766 1.00 32.53 H new ATOM 0 HG23 ILE A 53 -5.677 2.259 -2.115 1.00 32.53 H new ATOM 0 HD11 ILE A 53 -1.381 3.190 -0.208 1.00 11.14 H new ATOM 0 HD12 ILE A 53 -2.079 1.998 0.916 1.00 11.14 H new ATOM 0 HD13 ILE A 53 -1.678 1.521 -0.751 1.00 11.14 H new ATOM 825 N ASP A 54 -7.542 0.565 0.660 1.00 62.00 N ATOM 826 CA ASP A 54 -8.362 -0.610 0.936 1.00 2.32 C ATOM 827 C ASP A 54 -8.104 -1.707 -0.092 1.00 1.20 C ATOM 828 O ASP A 54 -7.617 -1.438 -1.190 1.00 71.43 O ATOM 829 CB ASP A 54 -9.844 -0.235 0.940 1.00 53.32 C ATOM 830 CG ASP A 54 -10.136 0.963 1.823 1.00 12.21 C ATOM 831 OD1 ASP A 54 -9.674 2.073 1.487 1.00 14.52 O ATOM 832 OD2 ASP A 54 -10.826 0.790 2.849 1.00 5.44 O ATOM 0 H ASP A 54 -8.050 1.345 0.242 1.00 62.00 H new ATOM 0 HA ASP A 54 -8.089 -0.989 1.921 1.00 2.32 H new ATOM 0 HB2 ASP A 54 -10.164 -0.018 -0.079 1.00 53.32 H new ATOM 0 HB3 ASP A 54 -10.430 -1.087 1.283 1.00 53.32 H new ATOM 837 N GLN A 55 -8.434 -2.942 0.271 1.00 35.13 N ATOM 838 CA GLN A 55 -8.237 -4.078 -0.620 1.00 25.45 C ATOM 839 C GLN A 55 -8.904 -3.834 -1.970 1.00 3.34 C ATOM 840 O GLN A 55 -8.315 -4.095 -3.018 1.00 63.42 O ATOM 841 CB GLN A 55 -8.795 -5.354 0.015 1.00 50.32 C ATOM 842 CG GLN A 55 -10.256 -5.242 0.420 1.00 50.21 C ATOM 843 CD GLN A 55 -11.196 -5.808 -0.626 1.00 51.12 C ATOM 844 OE1 GLN A 55 -10.773 -6.180 -1.722 1.00 73.55 O ATOM 845 NE2 GLN A 55 -12.480 -5.877 -0.294 1.00 41.11 N ATOM 0 H GLN A 55 -8.839 -3.181 1.176 1.00 35.13 H new ATOM 0 HA GLN A 55 -7.166 -4.199 -0.782 1.00 25.45 H new ATOM 0 HB2 GLN A 55 -8.684 -6.179 -0.689 1.00 50.32 H new ATOM 0 HB3 GLN A 55 -8.201 -5.603 0.894 1.00 50.32 H new ATOM 0 HG2 GLN A 55 -10.409 -5.767 1.363 1.00 50.21 H new ATOM 0 HG3 GLN A 55 -10.501 -4.195 0.595 1.00 50.21 H new ATOM 0 HE21 GLN A 55 -12.787 -5.558 0.625 1.00 41.11 H new ATOM 0 HE22 GLN A 55 -13.159 -6.249 -0.958 1.00 41.11 H new ATOM 854 N ASN A 56 -10.133 -3.333 -1.934 1.00 54.05 N ATOM 855 CA ASN A 56 -10.880 -3.054 -3.156 1.00 14.14 C ATOM 856 C ASN A 56 -10.120 -2.077 -4.047 1.00 52.52 C ATOM 857 O ASN A 56 -9.942 -2.320 -5.241 1.00 22.50 O ATOM 858 CB ASN A 56 -12.259 -2.484 -2.817 1.00 34.50 C ATOM 859 CG ASN A 56 -13.334 -2.964 -3.773 1.00 34.44 C ATOM 860 OD1 ASN A 56 -14.253 -3.682 -3.381 1.00 24.54 O ATOM 861 ND2 ASN A 56 -13.222 -2.566 -5.034 1.00 61.14 N ATOM 0 H ASN A 56 -10.634 -3.112 -1.073 1.00 54.05 H new ATOM 0 HA ASN A 56 -11.004 -3.992 -3.698 1.00 14.14 H new ATOM 0 HB2 ASN A 56 -12.527 -2.770 -1.800 1.00 34.50 H new ATOM 0 HB3 ASN A 56 -12.215 -1.395 -2.841 1.00 34.50 H new ATOM 0 HD21 ASN A 56 -13.915 -2.856 -5.724 1.00 61.14 H new ATOM 0 HD22 ASN A 56 -12.442 -1.971 -5.314 1.00 61.14 H new ATOM 868 N GLU A 57 -9.672 -0.972 -3.459 1.00 32.41 N ATOM 869 CA GLU A 57 -8.931 0.041 -4.200 1.00 50.54 C ATOM 870 C GLU A 57 -7.627 -0.531 -4.751 1.00 62.41 C ATOM 871 O GLU A 57 -7.269 -0.292 -5.904 1.00 32.23 O ATOM 872 CB GLU A 57 -8.634 1.246 -3.305 1.00 25.04 C ATOM 873 CG GLU A 57 -9.871 1.838 -2.651 1.00 10.32 C ATOM 874 CD GLU A 57 -9.555 2.570 -1.361 1.00 24.33 C ATOM 875 OE1 GLU A 57 -8.371 2.590 -0.966 1.00 13.54 O ATOM 876 OE2 GLU A 57 -10.492 3.120 -0.746 1.00 12.25 O ATOM 0 H GLU A 57 -9.810 -0.756 -2.472 1.00 32.41 H new ATOM 0 HA GLU A 57 -9.549 0.364 -5.038 1.00 50.54 H new ATOM 0 HB2 GLU A 57 -7.931 0.946 -2.528 1.00 25.04 H new ATOM 0 HB3 GLU A 57 -8.143 2.017 -3.899 1.00 25.04 H new ATOM 0 HG2 GLU A 57 -10.351 2.526 -3.347 1.00 10.32 H new ATOM 0 HG3 GLU A 57 -10.586 1.041 -2.446 1.00 10.32 H new ATOM 883 N PHE A 58 -6.923 -1.289 -3.917 1.00 1.31 N ATOM 884 CA PHE A 58 -5.659 -1.895 -4.317 1.00 61.20 C ATOM 885 C PHE A 58 -5.867 -2.881 -5.463 1.00 63.20 C ATOM 886 O PHE A 58 -5.114 -2.888 -6.435 1.00 43.24 O ATOM 887 CB PHE A 58 -5.011 -2.606 -3.128 1.00 45.21 C ATOM 888 CG PHE A 58 -3.554 -2.909 -3.332 1.00 54.53 C ATOM 889 CD1 PHE A 58 -3.154 -4.090 -3.934 1.00 50.23 C ATOM 890 CD2 PHE A 58 -2.583 -2.009 -2.920 1.00 41.21 C ATOM 891 CE1 PHE A 58 -1.814 -4.371 -4.123 1.00 54.10 C ATOM 892 CE2 PHE A 58 -1.241 -2.284 -3.107 1.00 54.21 C ATOM 893 CZ PHE A 58 -0.856 -3.466 -3.708 1.00 20.11 C ATOM 0 H PHE A 58 -7.207 -1.498 -2.960 1.00 1.31 H new ATOM 0 HA PHE A 58 -4.997 -1.101 -4.661 1.00 61.20 H new ATOM 0 HB2 PHE A 58 -5.124 -1.986 -2.239 1.00 45.21 H new ATOM 0 HB3 PHE A 58 -5.544 -3.537 -2.937 1.00 45.21 H new ATOM 0 HD1 PHE A 58 -3.899 -4.801 -4.260 1.00 50.23 H new ATOM 0 HD2 PHE A 58 -2.878 -1.083 -2.448 1.00 41.21 H new ATOM 0 HE1 PHE A 58 -1.516 -5.296 -4.594 1.00 54.10 H new ATOM 0 HE2 PHE A 58 -0.494 -1.574 -2.783 1.00 54.21 H new ATOM 0 HZ PHE A 58 0.192 -3.683 -3.853 1.00 20.11 H new ATOM 903 N ALA A 59 -6.896 -3.714 -5.339 1.00 31.15 N ATOM 904 CA ALA A 59 -7.206 -4.705 -6.363 1.00 34.00 C ATOM 905 C ALA A 59 -7.474 -4.037 -7.708 1.00 11.52 C ATOM 906 O ALA A 59 -6.893 -4.415 -8.726 1.00 22.12 O ATOM 907 CB ALA A 59 -8.402 -5.544 -5.940 1.00 11.10 C ATOM 0 H ALA A 59 -7.529 -3.722 -4.539 1.00 31.15 H new ATOM 0 HA ALA A 59 -6.341 -5.358 -6.477 1.00 34.00 H new ATOM 0 HB1 ALA A 59 -8.622 -6.280 -6.714 1.00 11.10 H new ATOM 0 HB2 ALA A 59 -8.174 -6.057 -5.006 1.00 11.10 H new ATOM 0 HB3 ALA A 59 -9.268 -4.897 -5.797 1.00 11.10 H new ATOM 913 N LYS A 60 -8.356 -3.043 -7.705 1.00 3.13 N ATOM 914 CA LYS A 60 -8.700 -2.323 -8.925 1.00 20.54 C ATOM 915 C LYS A 60 -7.483 -1.599 -9.492 1.00 21.43 C ATOM 916 O LYS A 60 -7.389 -1.375 -10.698 1.00 2.12 O ATOM 917 CB LYS A 60 -9.821 -1.319 -8.648 1.00 73.33 C ATOM 918 CG LYS A 60 -11.120 -1.964 -8.198 1.00 30.33 C ATOM 919 CD LYS A 60 -11.921 -2.489 -9.377 1.00 45.43 C ATOM 920 CE LYS A 60 -12.748 -1.389 -10.023 1.00 62.03 C ATOM 921 NZ LYS A 60 -14.187 -1.486 -9.651 1.00 10.54 N ATOM 0 H LYS A 60 -8.845 -2.718 -6.871 1.00 3.13 H new ATOM 0 HA LYS A 60 -9.043 -3.049 -9.662 1.00 20.54 H new ATOM 0 HB2 LYS A 60 -9.489 -0.619 -7.882 1.00 73.33 H new ATOM 0 HB3 LYS A 60 -10.008 -0.738 -9.551 1.00 73.33 H new ATOM 0 HG2 LYS A 60 -10.902 -2.783 -7.512 1.00 30.33 H new ATOM 0 HG3 LYS A 60 -11.716 -1.237 -7.647 1.00 30.33 H new ATOM 0 HD2 LYS A 60 -11.244 -2.918 -10.116 1.00 45.43 H new ATOM 0 HD3 LYS A 60 -12.579 -3.292 -9.043 1.00 45.43 H new ATOM 0 HE2 LYS A 60 -12.359 -0.417 -9.720 1.00 62.03 H new ATOM 0 HE3 LYS A 60 -12.648 -1.448 -11.107 1.00 62.03 H new ATOM 0 HZ1 LYS A 60 -14.717 -0.719 -10.111 1.00 10.54 H new ATOM 0 HZ2 LYS A 60 -14.565 -2.403 -9.963 1.00 10.54 H new ATOM 0 HZ3 LYS A 60 -14.285 -1.404 -8.619 1.00 10.54 H new ATOM 935 N PHE A 61 -6.554 -1.238 -8.613 1.00 55.35 N ATOM 936 CA PHE A 61 -5.342 -0.540 -9.028 1.00 15.23 C ATOM 937 C PHE A 61 -4.357 -1.503 -9.685 1.00 35.22 C ATOM 938 O PHE A 61 -3.650 -1.138 -10.624 1.00 4.44 O ATOM 939 CB PHE A 61 -4.683 0.139 -7.825 1.00 50.12 C ATOM 940 CG PHE A 61 -3.214 0.391 -8.010 1.00 0.22 C ATOM 941 CD1 PHE A 61 -2.754 1.130 -9.087 1.00 72.35 C ATOM 942 CD2 PHE A 61 -2.292 -0.111 -7.105 1.00 55.01 C ATOM 943 CE1 PHE A 61 -1.403 1.365 -9.260 1.00 42.04 C ATOM 944 CE2 PHE A 61 -0.940 0.121 -7.272 1.00 30.41 C ATOM 945 CZ PHE A 61 -0.495 0.858 -8.352 1.00 34.25 C ATOM 0 H PHE A 61 -6.617 -1.417 -7.611 1.00 55.35 H new ATOM 0 HA PHE A 61 -5.622 0.220 -9.758 1.00 15.23 H new ATOM 0 HB2 PHE A 61 -5.185 1.087 -7.633 1.00 50.12 H new ATOM 0 HB3 PHE A 61 -4.829 -0.483 -6.942 1.00 50.12 H new ATOM 0 HD1 PHE A 61 -3.460 1.528 -9.801 1.00 72.35 H new ATOM 0 HD2 PHE A 61 -2.634 -0.690 -6.260 1.00 55.01 H new ATOM 0 HE1 PHE A 61 -1.058 1.944 -10.104 1.00 42.04 H new ATOM 0 HE2 PHE A 61 -0.232 -0.274 -6.559 1.00 30.41 H new ATOM 0 HZ PHE A 61 0.562 1.037 -8.486 1.00 34.25 H new ATOM 955 N TYR A 62 -4.318 -2.732 -9.183 1.00 41.44 N ATOM 956 CA TYR A 62 -3.418 -3.748 -9.719 1.00 73.21 C ATOM 957 C TYR A 62 -3.722 -4.024 -11.188 1.00 72.52 C ATOM 958 O TYR A 62 -4.821 -4.454 -11.537 1.00 60.31 O ATOM 959 CB TYR A 62 -3.536 -5.040 -8.910 1.00 43.20 C ATOM 960 CG TYR A 62 -2.223 -5.771 -8.742 1.00 43.22 C ATOM 961 CD1 TYR A 62 -1.666 -6.489 -9.793 1.00 22.23 C ATOM 962 CD2 TYR A 62 -1.540 -5.743 -7.533 1.00 45.50 C ATOM 963 CE1 TYR A 62 -0.467 -7.159 -9.644 1.00 22.21 C ATOM 964 CE2 TYR A 62 -0.339 -6.409 -7.375 1.00 53.54 C ATOM 965 CZ TYR A 62 0.193 -7.116 -8.433 1.00 53.44 C ATOM 966 OH TYR A 62 1.388 -7.780 -8.280 1.00 42.31 O ATOM 0 H TYR A 62 -4.898 -3.049 -8.406 1.00 41.44 H new ATOM 0 HA TYR A 62 -2.398 -3.371 -9.643 1.00 73.21 H new ATOM 0 HB2 TYR A 62 -3.941 -4.807 -7.925 1.00 43.20 H new ATOM 0 HB3 TYR A 62 -4.251 -5.702 -9.400 1.00 43.20 H new ATOM 0 HD1 TYR A 62 -2.179 -6.524 -10.743 1.00 22.23 H new ATOM 0 HD2 TYR A 62 -1.954 -5.191 -6.702 1.00 45.50 H new ATOM 0 HE1 TYR A 62 -0.049 -7.713 -10.471 1.00 22.21 H new ATOM 0 HE2 TYR A 62 0.180 -6.376 -6.428 1.00 53.54 H new ATOM 0 HH TYR A 62 1.721 -7.648 -7.368 1.00 42.31 H new ATOM 976 N GLY A 63 -2.738 -3.774 -12.047 1.00 35.44 N ATOM 977 CA GLY A 63 -2.918 -4.003 -13.469 1.00 35.11 C ATOM 978 C GLY A 63 -3.673 -2.875 -14.145 1.00 42.12 C ATOM 979 O GLY A 63 -3.966 -2.944 -15.339 1.00 22.45 O ATOM 0 H GLY A 63 -1.820 -3.417 -11.783 1.00 35.44 H new ATOM 0 HA2 GLY A 63 -1.943 -4.119 -13.942 1.00 35.11 H new ATOM 0 HA3 GLY A 63 -3.457 -4.938 -13.618 1.00 35.11 H new