USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot -50:sc= -2.62! USER MOD Set 1.2: A 97 THR OG1 : rot -110:sc= 0.629 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0434 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0516 K(o=-0.052,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.5 K(o=0.5,f=-5.6!) USER MOD Single : A 38 SER OG : rot 73:sc= 0.248 USER MOD Single : A 47 ASN : amide:sc= -0.0877 K(o=-0.088,f=-0.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.459 USER MOD Single : A 54 SER OG : rot 140:sc= -0.0798 USER MOD Single : A 57 CYS SG : rot -100:sc= -1.48 USER MOD Single : A 59 GLN : amide:sc= -0.341 K(o=-0.34,f=-5.1!) USER MOD Single : A 63 GLN : amide:sc=-0.00478 K(o=-0.0048,f=-0.65) USER MOD Single : A 65 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.6) USER MOD Single : A 67 SER OG : rot 94:sc= 0.00812 USER MOD Single : A 69 GLN : amide:sc= 0.127 X(o=0.13,f=-0.00042) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 77:sc= 0.103 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.169 K(o=-0.17,f=-2!) USER MOD Single : A 81 THR OG1 : rot 84:sc= 0.225 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 140:sc= -0.447 USER MOD Single : A 89 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-5.7!) USER MOD Single : A 90 GLN : amide:sc=-0.00416 X(o=-0.0042,f=-0.0042) USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= 0.0651 (180deg=0.00639) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 5.986 6.302 -3.242 1.00 11.32 N ATOM 64 CA ARG A 7 7.327 6.118 -2.701 1.00 70.02 C ATOM 65 C ARG A 7 7.859 4.726 -3.029 1.00 74.41 C ATOM 66 O ARG A 7 9.056 4.462 -2.910 1.00 51.44 O ATOM 67 CB ARG A 7 7.323 6.330 -1.187 1.00 13.35 C ATOM 68 CG ARG A 7 8.171 7.507 -0.734 1.00 43.41 C ATOM 69 CD ARG A 7 7.564 8.832 -1.171 1.00 21.41 C ATOM 70 NE ARG A 7 8.587 9.830 -1.472 1.00 74.34 N ATOM 71 CZ ARG A 7 9.188 10.568 -0.546 1.00 15.14 C ATOM 72 NH1 ARG A 7 8.870 10.421 0.733 1.00 44.23 N ATOM 73 NH2 ARG A 7 10.109 11.455 -0.898 1.00 5.31 N ATOM 0 HA ARG A 7 7.982 6.857 -3.162 1.00 70.02 H new ATOM 0 HB2 ARG A 7 6.297 6.483 -0.853 1.00 13.35 H new ATOM 0 HB3 ARG A 7 7.685 5.424 -0.701 1.00 13.35 H new ATOM 0 HG2 ARG A 7 8.268 7.490 0.352 1.00 43.41 H new ATOM 0 HG3 ARG A 7 9.176 7.413 -1.145 1.00 43.41 H new ATOM 0 HD2 ARG A 7 6.942 8.673 -2.052 1.00 21.41 H new ATOM 0 HD3 ARG A 7 6.911 9.209 -0.384 1.00 21.41 H new ATOM 0 HE ARG A 7 8.854 9.968 -2.447 1.00 74.34 H new ATOM 0 HH11 ARG A 7 8.162 9.740 1.008 1.00 44.23 H new ATOM 0 HH12 ARG A 7 9.333 10.989 1.442 1.00 44.23 H new ATOM 0 HH21 ARG A 7 10.356 11.571 -1.881 1.00 5.31 H new ATOM 0 HH22 ARG A 7 10.570 12.021 -0.186 1.00 5.31 H new ATOM 87 N LEU A 8 6.960 3.838 -3.442 1.00 64.53 N ATOM 88 CA LEU A 8 7.339 2.471 -3.788 1.00 41.42 C ATOM 89 C LEU A 8 7.864 2.397 -5.218 1.00 33.21 C ATOM 90 O LEU A 8 7.722 3.342 -5.992 1.00 43.14 O ATOM 91 CB LEU A 8 6.142 1.533 -3.622 1.00 20.40 C ATOM 92 CG LEU A 8 5.524 1.474 -2.225 1.00 63.41 C ATOM 93 CD1 LEU A 8 4.435 0.413 -2.167 1.00 51.04 C ATOM 94 CD2 LEU A 8 6.595 1.197 -1.180 1.00 2.14 C ATOM 0 H LEU A 8 5.965 4.039 -3.545 1.00 64.53 H new ATOM 0 HA LEU A 8 8.135 2.158 -3.112 1.00 41.42 H new ATOM 0 HB2 LEU A 8 5.368 1.836 -4.327 1.00 20.40 H new ATOM 0 HB3 LEU A 8 6.453 0.527 -3.903 1.00 20.40 H new ATOM 0 HG LEU A 8 5.072 2.442 -2.007 1.00 63.41 H new ATOM 0 HD11 LEU A 8 4.007 0.386 -1.165 1.00 51.04 H new ATOM 0 HD12 LEU A 8 3.654 0.653 -2.889 1.00 51.04 H new ATOM 0 HD13 LEU A 8 4.863 -0.561 -2.406 1.00 51.04 H new ATOM 0 HD21 LEU A 8 6.137 1.158 -0.191 1.00 2.14 H new ATOM 0 HD22 LEU A 8 7.075 0.242 -1.395 1.00 2.14 H new ATOM 0 HD23 LEU A 8 7.341 1.992 -1.204 1.00 2.14 H new ATOM 106 N SER A 9 8.470 1.265 -5.561 1.00 61.44 N ATOM 107 CA SER A 9 9.018 1.066 -6.898 1.00 51.11 C ATOM 108 C SER A 9 8.871 -0.389 -7.335 1.00 52.55 C ATOM 109 O SER A 9 8.242 -1.194 -6.650 1.00 42.43 O ATOM 110 CB SER A 9 10.491 1.475 -6.934 1.00 24.23 C ATOM 111 OG SER A 9 10.782 2.426 -5.925 1.00 11.31 O ATOM 0 H SER A 9 8.594 0.472 -4.932 1.00 61.44 H new ATOM 0 HA SER A 9 8.457 1.693 -7.591 1.00 51.11 H new ATOM 0 HB2 SER A 9 11.119 0.594 -6.800 1.00 24.23 H new ATOM 0 HB3 SER A 9 10.732 1.893 -7.912 1.00 24.23 H new ATOM 0 HG SER A 9 11.730 2.670 -5.969 1.00 11.31 H new ATOM 117 N GLY A 10 9.457 -0.717 -8.483 1.00 51.22 N ATOM 118 CA GLY A 10 9.380 -2.073 -8.994 1.00 11.13 C ATOM 119 C GLY A 10 9.696 -3.110 -7.934 1.00 60.23 C ATOM 120 O GLY A 10 9.019 -4.132 -7.834 1.00 62.32 O ATOM 0 H GLY A 10 9.983 -0.068 -9.068 1.00 51.22 H new ATOM 0 HA2 GLY A 10 8.380 -2.253 -9.388 1.00 11.13 H new ATOM 0 HA3 GLY A 10 10.075 -2.185 -9.826 1.00 11.13 H new ATOM 124 N GLY A 11 10.731 -2.848 -7.141 1.00 41.45 N ATOM 125 CA GLY A 11 11.118 -3.776 -6.096 1.00 11.14 C ATOM 126 C GLY A 11 9.997 -4.043 -5.112 1.00 10.01 C ATOM 127 O GLY A 11 9.578 -5.186 -4.934 1.00 63.51 O ATOM 0 H GLY A 11 11.308 -2.009 -7.204 1.00 41.45 H new ATOM 0 HA2 GLY A 11 11.432 -4.717 -6.548 1.00 11.14 H new ATOM 0 HA3 GLY A 11 11.979 -3.377 -5.561 1.00 11.14 H new ATOM 131 N GLU A 12 9.510 -2.986 -4.470 1.00 52.11 N ATOM 132 CA GLU A 12 8.431 -3.113 -3.497 1.00 61.13 C ATOM 133 C GLU A 12 7.151 -3.606 -4.165 1.00 32.13 C ATOM 134 O GLU A 12 6.289 -4.200 -3.517 1.00 74.32 O ATOM 135 CB GLU A 12 8.175 -1.772 -2.807 1.00 3.32 C ATOM 136 CG GLU A 12 8.384 -1.811 -1.303 1.00 11.25 C ATOM 137 CD GLU A 12 9.666 -1.125 -0.872 1.00 63.55 C ATOM 138 OE1 GLU A 12 9.831 0.073 -1.180 1.00 40.11 O ATOM 139 OE2 GLU A 12 10.505 -1.789 -0.228 1.00 60.21 O ATOM 0 H GLU A 12 9.845 -2.032 -4.606 1.00 52.11 H new ATOM 0 HA GLU A 12 8.736 -3.845 -2.749 1.00 61.13 H new ATOM 0 HB2 GLU A 12 8.836 -1.020 -3.238 1.00 3.32 H new ATOM 0 HB3 GLU A 12 7.153 -1.455 -3.015 1.00 3.32 H new ATOM 0 HG2 GLU A 12 7.538 -1.333 -0.810 1.00 11.25 H new ATOM 0 HG3 GLU A 12 8.402 -2.849 -0.970 1.00 11.25 H new ATOM 146 N LEU A 13 7.035 -3.355 -5.464 1.00 35.41 N ATOM 147 CA LEU A 13 5.860 -3.772 -6.222 1.00 72.43 C ATOM 148 C LEU A 13 5.744 -5.293 -6.251 1.00 74.11 C ATOM 149 O LEU A 13 4.644 -5.839 -6.348 1.00 34.34 O ATOM 150 CB LEU A 13 5.929 -3.228 -7.650 1.00 51.30 C ATOM 151 CG LEU A 13 4.749 -2.364 -8.096 1.00 62.51 C ATOM 152 CD1 LEU A 13 5.235 -1.173 -8.905 1.00 44.25 C ATOM 153 CD2 LEU A 13 3.758 -3.191 -8.903 1.00 22.22 C ATOM 0 H LEU A 13 7.740 -2.865 -6.015 1.00 35.41 H new ATOM 0 HA LEU A 13 4.977 -3.367 -5.728 1.00 72.43 H new ATOM 0 HB2 LEU A 13 6.842 -2.641 -7.750 1.00 51.30 H new ATOM 0 HB3 LEU A 13 6.016 -4.071 -8.335 1.00 51.30 H new ATOM 0 HG LEU A 13 4.241 -1.990 -7.207 1.00 62.51 H new ATOM 0 HD11 LEU A 13 4.381 -0.570 -9.214 1.00 44.25 H new ATOM 0 HD12 LEU A 13 5.905 -0.568 -8.295 1.00 44.25 H new ATOM 0 HD13 LEU A 13 5.768 -1.526 -9.788 1.00 44.25 H new ATOM 0 HD21 LEU A 13 2.925 -2.560 -9.212 1.00 22.22 H new ATOM 0 HD22 LEU A 13 4.255 -3.595 -9.785 1.00 22.22 H new ATOM 0 HD23 LEU A 13 3.384 -4.011 -8.290 1.00 22.22 H new ATOM 165 N ASP A 14 6.883 -5.971 -6.166 1.00 15.21 N ATOM 166 CA ASP A 14 6.908 -7.429 -6.179 1.00 21.13 C ATOM 167 C ASP A 14 6.152 -7.996 -4.982 1.00 23.22 C ATOM 168 O ASP A 14 5.392 -8.956 -5.111 1.00 54.43 O ATOM 169 CB ASP A 14 8.351 -7.935 -6.174 1.00 2.02 C ATOM 170 CG ASP A 14 8.619 -8.933 -7.283 1.00 43.23 C ATOM 171 OD1 ASP A 14 8.895 -8.495 -8.420 1.00 24.14 O ATOM 172 OD2 ASP A 14 8.552 -10.151 -7.016 1.00 10.43 O ATOM 0 H ASP A 14 7.801 -5.534 -6.087 1.00 15.21 H new ATOM 0 HA ASP A 14 6.416 -7.769 -7.090 1.00 21.13 H new ATOM 0 HB2 ASP A 14 9.030 -7.089 -6.279 1.00 2.02 H new ATOM 0 HB3 ASP A 14 8.567 -8.399 -5.212 1.00 2.02 H new ATOM 177 N LYS A 15 6.367 -7.398 -3.815 1.00 70.52 N ATOM 178 CA LYS A 15 5.707 -7.843 -2.593 1.00 41.43 C ATOM 179 C LYS A 15 4.290 -7.285 -2.507 1.00 4.22 C ATOM 180 O LYS A 15 3.366 -7.977 -2.079 1.00 40.15 O ATOM 181 CB LYS A 15 6.513 -7.410 -1.367 1.00 42.41 C ATOM 182 CG LYS A 15 7.584 -8.405 -0.959 1.00 62.42 C ATOM 183 CD LYS A 15 8.899 -8.135 -1.673 1.00 53.43 C ATOM 184 CE LYS A 15 9.570 -9.427 -2.114 1.00 2.43 C ATOM 185 NZ LYS A 15 11.049 -9.365 -1.955 1.00 42.33 N ATOM 0 H LYS A 15 6.994 -6.603 -3.690 1.00 70.52 H new ATOM 0 HA LYS A 15 5.649 -8.931 -2.616 1.00 41.43 H new ATOM 0 HB2 LYS A 15 6.983 -6.448 -1.573 1.00 42.41 H new ATOM 0 HB3 LYS A 15 5.832 -7.259 -0.530 1.00 42.41 H new ATOM 0 HG2 LYS A 15 7.737 -8.354 0.119 1.00 62.42 H new ATOM 0 HG3 LYS A 15 7.247 -9.417 -1.186 1.00 62.42 H new ATOM 0 HD2 LYS A 15 8.719 -7.502 -2.542 1.00 53.43 H new ATOM 0 HD3 LYS A 15 9.567 -7.584 -1.011 1.00 53.43 H new ATOM 0 HE2 LYS A 15 9.176 -10.259 -1.530 1.00 2.43 H new ATOM 0 HE3 LYS A 15 9.325 -9.626 -3.157 1.00 2.43 H new ATOM 0 HZ1 LYS A 15 11.470 -10.264 -2.266 1.00 42.33 H new ATOM 0 HZ2 LYS A 15 11.428 -8.587 -2.532 1.00 42.33 H new ATOM 0 HZ3 LYS A 15 11.284 -9.200 -0.955 1.00 42.33 H new ATOM 199 N TRP A 16 4.127 -6.032 -2.916 1.00 32.42 N ATOM 200 CA TRP A 16 2.821 -5.383 -2.886 1.00 3.34 C ATOM 201 C TRP A 16 1.807 -6.160 -3.717 1.00 61.12 C ATOM 202 O TRP A 16 0.643 -6.282 -3.337 1.00 33.31 O ATOM 203 CB TRP A 16 2.930 -3.948 -3.402 1.00 43.14 C ATOM 204 CG TRP A 16 1.605 -3.261 -3.534 1.00 32.04 C ATOM 205 CD1 TRP A 16 1.038 -2.785 -4.681 1.00 12.02 C ATOM 206 CD2 TRP A 16 0.681 -2.972 -2.478 1.00 22.52 C ATOM 207 NE1 TRP A 16 -0.182 -2.218 -4.403 1.00 44.52 N ATOM 208 CE2 TRP A 16 -0.424 -2.320 -3.059 1.00 33.21 C ATOM 209 CE3 TRP A 16 0.679 -3.203 -1.100 1.00 14.12 C ATOM 210 CZ2 TRP A 16 -1.517 -1.896 -2.308 1.00 33.43 C ATOM 211 CZ3 TRP A 16 -0.407 -2.782 -0.356 1.00 5.33 C ATOM 212 CH2 TRP A 16 -1.493 -2.135 -0.960 1.00 63.33 C ATOM 0 H TRP A 16 4.882 -5.446 -3.272 1.00 32.42 H new ATOM 0 HA TRP A 16 2.476 -5.365 -1.852 1.00 3.34 H new ATOM 0 HB2 TRP A 16 3.563 -3.374 -2.726 1.00 43.14 H new ATOM 0 HB3 TRP A 16 3.425 -3.955 -4.373 1.00 43.14 H new ATOM 0 HD1 TRP A 16 1.483 -2.845 -5.663 1.00 12.02 H new ATOM 0 HE1 TRP A 16 -0.806 -1.790 -5.087 1.00 44.52 H new ATOM 0 HE3 TRP A 16 1.511 -3.701 -0.625 1.00 14.12 H new ATOM 0 HZ2 TRP A 16 -2.354 -1.396 -2.772 1.00 33.43 H new ATOM 0 HZ3 TRP A 16 -0.419 -2.955 0.710 1.00 5.33 H new ATOM 0 HH2 TRP A 16 -2.327 -1.819 -0.351 1.00 63.33 H new ATOM 223 N GLU A 17 2.257 -6.684 -4.853 1.00 11.32 N ATOM 224 CA GLU A 17 1.387 -7.449 -5.738 1.00 34.23 C ATOM 225 C GLU A 17 1.324 -8.912 -5.309 1.00 13.54 C ATOM 226 O GLU A 17 0.584 -9.709 -5.885 1.00 35.22 O ATOM 227 CB GLU A 17 1.879 -7.352 -7.184 1.00 53.41 C ATOM 228 CG GLU A 17 1.646 -5.989 -7.815 1.00 33.24 C ATOM 229 CD GLU A 17 1.500 -6.062 -9.322 1.00 44.41 C ATOM 230 OE1 GLU A 17 1.942 -7.069 -9.914 1.00 12.13 O ATOM 231 OE2 GLU A 17 0.945 -5.110 -9.911 1.00 20.11 O ATOM 0 H GLU A 17 3.218 -6.593 -5.182 1.00 11.32 H new ATOM 0 HA GLU A 17 0.385 -7.025 -5.673 1.00 34.23 H new ATOM 0 HB2 GLU A 17 2.945 -7.579 -7.213 1.00 53.41 H new ATOM 0 HB3 GLU A 17 1.375 -8.111 -7.782 1.00 53.41 H new ATOM 0 HG2 GLU A 17 0.748 -5.544 -7.388 1.00 33.24 H new ATOM 0 HG3 GLU A 17 2.478 -5.330 -7.566 1.00 33.24 H new ATOM 238 N LYS A 18 2.107 -9.258 -4.292 1.00 51.21 N ATOM 239 CA LYS A 18 2.142 -10.624 -3.783 1.00 60.15 C ATOM 240 C LYS A 18 0.974 -10.882 -2.837 1.00 12.31 C ATOM 241 O LYS A 18 0.593 -12.030 -2.605 1.00 43.20 O ATOM 242 CB LYS A 18 3.466 -10.887 -3.061 1.00 52.10 C ATOM 243 CG LYS A 18 3.979 -12.306 -3.229 1.00 61.55 C ATOM 244 CD LYS A 18 5.440 -12.422 -2.828 1.00 31.01 C ATOM 245 CE LYS A 18 5.779 -13.827 -2.358 1.00 22.44 C ATOM 246 NZ LYS A 18 6.070 -14.739 -3.498 1.00 24.54 N ATOM 0 H LYS A 18 2.726 -8.611 -3.804 1.00 51.21 H new ATOM 0 HA LYS A 18 2.056 -11.304 -4.631 1.00 60.15 H new ATOM 0 HB2 LYS A 18 4.218 -10.191 -3.434 1.00 52.10 H new ATOM 0 HB3 LYS A 18 3.338 -10.679 -1.999 1.00 52.10 H new ATOM 0 HG2 LYS A 18 3.379 -12.985 -2.623 1.00 61.55 H new ATOM 0 HG3 LYS A 18 3.860 -12.616 -4.267 1.00 61.55 H new ATOM 0 HD2 LYS A 18 6.073 -12.158 -3.675 1.00 31.01 H new ATOM 0 HD3 LYS A 18 5.658 -11.709 -2.033 1.00 31.01 H new ATOM 0 HE2 LYS A 18 6.643 -13.789 -1.694 1.00 22.44 H new ATOM 0 HE3 LYS A 18 4.947 -14.226 -1.777 1.00 22.44 H new ATOM 0 HZ1 LYS A 18 6.296 -15.687 -3.135 1.00 24.54 H new ATOM 0 HZ2 LYS A 18 5.237 -14.796 -4.119 1.00 24.54 H new ATOM 0 HZ3 LYS A 18 6.880 -14.372 -4.038 1.00 24.54 H new ATOM 260 N ILE A 19 0.409 -9.808 -2.295 1.00 72.22 N ATOM 261 CA ILE A 19 -0.718 -9.920 -1.377 1.00 43.23 C ATOM 262 C ILE A 19 -2.037 -10.020 -2.135 1.00 12.43 C ATOM 263 O ILE A 19 -2.372 -9.147 -2.936 1.00 2.51 O ATOM 264 CB ILE A 19 -0.781 -8.719 -0.415 1.00 1.51 C ATOM 265 CG1 ILE A 19 0.573 -8.512 0.266 1.00 2.35 C ATOM 266 CG2 ILE A 19 -1.876 -8.926 0.621 1.00 63.41 C ATOM 267 CD1 ILE A 19 1.218 -7.184 -0.062 1.00 4.32 C ATOM 0 H ILE A 19 0.713 -8.851 -2.476 1.00 72.22 H new ATOM 0 HA ILE A 19 -0.565 -10.831 -0.799 1.00 43.23 H new ATOM 0 HB ILE A 19 -1.018 -7.824 -0.990 1.00 1.51 H new ATOM 0 HG12 ILE A 19 0.443 -8.586 1.346 1.00 2.35 H new ATOM 0 HG13 ILE A 19 1.246 -9.317 -0.030 1.00 2.35 H new ATOM 0 HG21 ILE A 19 -1.908 -8.069 1.293 1.00 63.41 H new ATOM 0 HG22 ILE A 19 -2.838 -9.029 0.118 1.00 63.41 H new ATOM 0 HG23 ILE A 19 -1.668 -9.829 1.195 1.00 63.41 H new ATOM 0 HD11 ILE A 19 2.174 -7.106 0.455 1.00 4.32 H new ATOM 0 HD12 ILE A 19 1.381 -7.114 -1.138 1.00 4.32 H new ATOM 0 HD13 ILE A 19 0.565 -6.373 0.259 1.00 4.32 H new ATOM 279 N ARG A 20 -2.783 -11.088 -1.875 1.00 64.35 N ATOM 280 CA ARG A 20 -4.067 -11.302 -2.532 1.00 64.14 C ATOM 281 C ARG A 20 -5.192 -10.618 -1.763 1.00 52.43 C ATOM 282 O ARG A 20 -5.261 -10.701 -0.536 1.00 34.32 O ATOM 283 CB ARG A 20 -4.357 -12.799 -2.657 1.00 12.22 C ATOM 284 CG ARG A 20 -3.233 -13.585 -3.312 1.00 3.14 C ATOM 285 CD ARG A 20 -3.730 -14.910 -3.870 1.00 2.32 C ATOM 286 NE ARG A 20 -2.845 -16.018 -3.522 1.00 1.44 N ATOM 287 CZ ARG A 20 -1.681 -16.243 -4.120 1.00 23.13 C ATOM 288 NH1 ARG A 20 -1.263 -15.442 -5.090 1.00 33.02 N ATOM 289 NH2 ARG A 20 -0.930 -17.272 -3.747 1.00 34.53 N ATOM 0 H ARG A 20 -2.521 -11.819 -1.214 1.00 64.35 H new ATOM 0 HA ARG A 20 -4.014 -10.865 -3.529 1.00 64.14 H new ATOM 0 HB2 ARG A 20 -4.544 -13.208 -1.664 1.00 12.22 H new ATOM 0 HB3 ARG A 20 -5.270 -12.936 -3.236 1.00 12.22 H new ATOM 0 HG2 ARG A 20 -2.794 -12.993 -4.115 1.00 3.14 H new ATOM 0 HG3 ARG A 20 -2.444 -13.769 -2.583 1.00 3.14 H new ATOM 0 HD2 ARG A 20 -4.731 -15.112 -3.488 1.00 2.32 H new ATOM 0 HD3 ARG A 20 -3.812 -14.839 -4.955 1.00 2.32 H new ATOM 0 HE ARG A 20 -3.137 -16.654 -2.779 1.00 1.44 H new ATOM 0 HH11 ARG A 20 -1.836 -14.649 -5.379 1.00 33.02 H new ATOM 0 HH12 ARG A 20 -0.368 -15.618 -5.547 1.00 33.02 H new ATOM 0 HH21 ARG A 20 -1.247 -17.891 -3.000 1.00 34.53 H new ATOM 0 HH22 ARG A 20 -0.036 -17.444 -4.207 1.00 34.53 H new ATOM 303 N LEU A 21 -6.072 -9.939 -2.491 1.00 43.13 N ATOM 304 CA LEU A 21 -7.195 -9.238 -1.877 1.00 71.11 C ATOM 305 C LEU A 21 -8.078 -10.206 -1.096 1.00 53.42 C ATOM 306 O LEU A 21 -8.447 -9.938 0.048 1.00 23.33 O ATOM 307 CB LEU A 21 -8.023 -8.525 -2.947 1.00 42.52 C ATOM 308 CG LEU A 21 -7.239 -7.660 -3.936 1.00 30.21 C ATOM 309 CD1 LEU A 21 -8.183 -6.985 -4.919 1.00 33.23 C ATOM 310 CD2 LEU A 21 -6.407 -6.623 -3.196 1.00 31.42 C ATOM 0 H LEU A 21 -6.030 -9.859 -3.507 1.00 43.13 H new ATOM 0 HA LEU A 21 -6.795 -8.498 -1.183 1.00 71.11 H new ATOM 0 HB2 LEU A 21 -8.576 -9.276 -3.511 1.00 42.52 H new ATOM 0 HB3 LEU A 21 -8.760 -7.895 -2.448 1.00 42.52 H new ATOM 0 HG LEU A 21 -6.563 -8.306 -4.497 1.00 30.21 H new ATOM 0 HD11 LEU A 21 -7.608 -6.374 -5.615 1.00 33.23 H new ATOM 0 HD12 LEU A 21 -8.735 -7.744 -5.473 1.00 33.23 H new ATOM 0 HD13 LEU A 21 -8.884 -6.352 -4.374 1.00 33.23 H new ATOM 0 HD21 LEU A 21 -5.856 -6.017 -3.916 1.00 31.42 H new ATOM 0 HD22 LEU A 21 -7.064 -5.981 -2.609 1.00 31.42 H new ATOM 0 HD23 LEU A 21 -5.704 -7.127 -2.533 1.00 31.42 H new ATOM 322 N ARG A 22 -8.412 -11.330 -1.720 1.00 14.23 N ATOM 323 CA ARG A 22 -9.252 -12.337 -1.083 1.00 21.44 C ATOM 324 C ARG A 22 -8.418 -13.531 -0.626 1.00 64.45 C ATOM 325 O ARG A 22 -7.288 -13.735 -1.071 1.00 3.11 O ATOM 326 CB ARG A 22 -10.346 -12.804 -2.045 1.00 5.41 C ATOM 327 CG ARG A 22 -11.694 -12.147 -1.799 1.00 42.35 C ATOM 328 CD ARG A 22 -12.790 -12.793 -2.633 1.00 63.42 C ATOM 329 NE ARG A 22 -14.109 -12.253 -2.317 1.00 33.22 N ATOM 330 CZ ARG A 22 -14.764 -12.525 -1.193 1.00 51.45 C ATOM 331 NH1 ARG A 22 -14.225 -13.325 -0.284 1.00 45.13 N ATOM 332 NH2 ARG A 22 -15.961 -11.995 -0.978 1.00 72.00 N ATOM 0 H ARG A 22 -8.114 -11.567 -2.666 1.00 14.23 H new ATOM 0 HA ARG A 22 -9.717 -11.884 -0.208 1.00 21.44 H new ATOM 0 HB2 ARG A 22 -10.031 -12.597 -3.068 1.00 5.41 H new ATOM 0 HB3 ARG A 22 -10.457 -13.885 -1.959 1.00 5.41 H new ATOM 0 HG2 ARG A 22 -11.948 -12.221 -0.742 1.00 42.35 H new ATOM 0 HG3 ARG A 22 -11.631 -11.085 -2.038 1.00 42.35 H new ATOM 0 HD2 ARG A 22 -12.579 -12.638 -3.691 1.00 63.42 H new ATOM 0 HD3 ARG A 22 -12.789 -13.869 -2.462 1.00 63.42 H new ATOM 0 HE ARG A 22 -14.552 -11.633 -2.996 1.00 33.22 H new ATOM 0 HH11 ARG A 22 -13.305 -13.734 -0.446 1.00 45.13 H new ATOM 0 HH12 ARG A 22 -14.730 -13.532 0.578 1.00 45.13 H new ATOM 0 HH21 ARG A 22 -16.379 -11.379 -1.675 1.00 72.00 H new ATOM 0 HH22 ARG A 22 -16.464 -12.204 -0.115 1.00 72.00 H new ATOM 346 N PRO A 23 -8.986 -14.338 0.281 1.00 24.22 N ATOM 347 CA PRO A 23 -8.313 -15.525 0.817 1.00 43.11 C ATOM 348 C PRO A 23 -8.173 -16.632 -0.224 1.00 45.50 C ATOM 349 O PRO A 23 -7.087 -17.177 -0.422 1.00 1.44 O ATOM 350 CB PRO A 23 -9.234 -15.973 1.953 1.00 72.11 C ATOM 351 CG PRO A 23 -10.577 -15.448 1.580 1.00 15.34 C ATOM 352 CD PRO A 23 -10.330 -14.155 0.854 1.00 10.22 C ATOM 0 HA PRO A 23 -7.295 -15.306 1.137 1.00 43.11 H new ATOM 0 HB2 PRO A 23 -9.246 -17.059 2.048 1.00 72.11 H new ATOM 0 HB3 PRO A 23 -8.904 -15.572 2.912 1.00 72.11 H new ATOM 0 HG2 PRO A 23 -11.110 -16.156 0.945 1.00 15.34 H new ATOM 0 HG3 PRO A 23 -11.193 -15.287 2.465 1.00 15.34 H new ATOM 0 HD2 PRO A 23 -11.077 -13.980 0.080 1.00 10.22 H new ATOM 0 HD3 PRO A 23 -10.366 -13.301 1.530 1.00 10.22 H new ATOM 360 N GLY A 24 -9.278 -16.958 -0.887 1.00 10.34 N ATOM 361 CA GLY A 24 -9.256 -17.997 -1.899 1.00 23.12 C ATOM 362 C GLY A 24 -9.251 -17.436 -3.306 1.00 65.13 C ATOM 363 O GLY A 24 -8.731 -18.061 -4.230 1.00 34.51 O ATOM 0 H GLY A 24 -10.188 -16.521 -0.741 1.00 10.34 H new ATOM 0 HA2 GLY A 24 -8.373 -18.620 -1.757 1.00 23.12 H new ATOM 0 HA3 GLY A 24 -10.125 -18.642 -1.772 1.00 23.12 H new ATOM 367 N GLY A 25 -9.830 -16.251 -3.472 1.00 10.42 N ATOM 368 CA GLY A 25 -9.881 -15.626 -4.780 1.00 42.53 C ATOM 369 C GLY A 25 -8.507 -15.469 -5.401 1.00 61.13 C ATOM 370 O GLY A 25 -7.499 -15.841 -4.800 1.00 53.24 O ATOM 0 H GLY A 25 -10.265 -15.712 -2.723 1.00 10.42 H new ATOM 0 HA2 GLY A 25 -10.509 -16.224 -5.441 1.00 42.53 H new ATOM 0 HA3 GLY A 25 -10.351 -14.647 -4.693 1.00 42.53 H new ATOM 374 N LYS A 26 -8.464 -14.918 -6.610 1.00 34.51 N ATOM 375 CA LYS A 26 -7.205 -14.714 -7.315 1.00 3.14 C ATOM 376 C LYS A 26 -6.895 -13.227 -7.456 1.00 35.23 C ATOM 377 O LYS A 26 -5.983 -12.838 -8.186 1.00 33.40 O ATOM 378 CB LYS A 26 -7.257 -15.368 -8.697 1.00 71.52 C ATOM 379 CG LYS A 26 -7.589 -16.850 -8.656 1.00 51.24 C ATOM 380 CD LYS A 26 -6.411 -17.672 -8.160 1.00 55.44 C ATOM 381 CE LYS A 26 -6.820 -18.603 -7.028 1.00 64.35 C ATOM 382 NZ LYS A 26 -7.296 -19.918 -7.537 1.00 60.43 N ATOM 0 H LYS A 26 -9.289 -14.605 -7.122 1.00 34.51 H new ATOM 0 HA LYS A 26 -6.411 -15.179 -6.730 1.00 3.14 H new ATOM 0 HB2 LYS A 26 -8.001 -14.854 -9.305 1.00 71.52 H new ATOM 0 HB3 LYS A 26 -6.294 -15.233 -9.190 1.00 71.52 H new ATOM 0 HG2 LYS A 26 -8.448 -17.013 -8.005 1.00 51.24 H new ATOM 0 HG3 LYS A 26 -7.875 -17.187 -9.652 1.00 51.24 H new ATOM 0 HD2 LYS A 26 -6.001 -18.257 -8.984 1.00 55.44 H new ATOM 0 HD3 LYS A 26 -5.619 -17.006 -7.817 1.00 55.44 H new ATOM 0 HE2 LYS A 26 -5.972 -18.757 -6.360 1.00 64.35 H new ATOM 0 HE3 LYS A 26 -7.609 -18.134 -6.439 1.00 64.35 H new ATOM 0 HZ1 LYS A 26 -7.565 -20.524 -6.736 1.00 60.43 H new ATOM 0 HZ2 LYS A 26 -8.121 -19.774 -8.154 1.00 60.43 H new ATOM 0 HZ3 LYS A 26 -6.535 -20.377 -8.078 1.00 60.43 H new ATOM 396 N LYS A 27 -7.660 -12.399 -6.751 1.00 45.12 N ATOM 397 CA LYS A 27 -7.467 -10.955 -6.796 1.00 3.52 C ATOM 398 C LYS A 27 -6.241 -10.545 -5.986 1.00 3.54 C ATOM 399 O LYS A 27 -5.912 -11.172 -4.979 1.00 74.55 O ATOM 400 CB LYS A 27 -8.708 -10.237 -6.260 1.00 43.33 C ATOM 401 CG LYS A 27 -10.006 -10.717 -6.887 1.00 4.11 C ATOM 402 CD LYS A 27 -10.792 -9.566 -7.492 1.00 31.41 C ATOM 403 CE LYS A 27 -10.247 -9.178 -8.858 1.00 43.53 C ATOM 404 NZ LYS A 27 -11.263 -8.458 -9.675 1.00 14.12 N ATOM 0 H LYS A 27 -8.419 -12.704 -6.142 1.00 45.12 H new ATOM 0 HA LYS A 27 -7.308 -10.667 -7.835 1.00 3.52 H new ATOM 0 HB2 LYS A 27 -8.762 -10.378 -5.181 1.00 43.33 H new ATOM 0 HB3 LYS A 27 -8.603 -9.167 -6.437 1.00 43.33 H new ATOM 0 HG2 LYS A 27 -9.787 -11.455 -7.659 1.00 4.11 H new ATOM 0 HG3 LYS A 27 -10.613 -11.216 -6.132 1.00 4.11 H new ATOM 0 HD2 LYS A 27 -11.841 -9.848 -7.584 1.00 31.41 H new ATOM 0 HD3 LYS A 27 -10.751 -8.705 -6.825 1.00 31.41 H new ATOM 0 HE2 LYS A 27 -9.368 -8.546 -8.732 1.00 43.53 H new ATOM 0 HE3 LYS A 27 -9.923 -10.074 -9.388 1.00 43.53 H new ATOM 0 HZ1 LYS A 27 -10.854 -8.210 -10.599 1.00 14.12 H new ATOM 0 HZ2 LYS A 27 -12.092 -9.070 -9.816 1.00 14.12 H new ATOM 0 HZ3 LYS A 27 -11.554 -7.590 -9.181 1.00 14.12 H new ATOM 418 N GLN A 28 -5.570 -9.487 -6.431 1.00 22.30 N ATOM 419 CA GLN A 28 -4.380 -8.994 -5.746 1.00 73.32 C ATOM 420 C GLN A 28 -4.392 -7.471 -5.664 1.00 64.44 C ATOM 421 O GLN A 28 -5.373 -6.827 -6.035 1.00 11.11 O ATOM 422 CB GLN A 28 -3.117 -9.469 -6.468 1.00 13.54 C ATOM 423 CG GLN A 28 -3.040 -10.978 -6.631 1.00 30.03 C ATOM 424 CD GLN A 28 -1.962 -11.405 -7.607 1.00 42.44 C ATOM 425 OE1 GLN A 28 -1.678 -10.706 -8.581 1.00 13.04 O ATOM 426 NE2 GLN A 28 -1.355 -12.558 -7.352 1.00 62.11 N ATOM 0 H GLN A 28 -5.830 -8.955 -7.262 1.00 22.30 H new ATOM 0 HA GLN A 28 -4.382 -9.394 -4.732 1.00 73.32 H new ATOM 0 HB2 GLN A 28 -3.074 -9.003 -7.452 1.00 13.54 H new ATOM 0 HB3 GLN A 28 -2.242 -9.127 -5.915 1.00 13.54 H new ATOM 0 HG2 GLN A 28 -2.848 -11.435 -5.660 1.00 30.03 H new ATOM 0 HG3 GLN A 28 -4.004 -11.352 -6.974 1.00 30.03 H new ATOM 0 HE21 GLN A 28 -1.622 -13.105 -6.533 1.00 62.11 H new ATOM 0 HE22 GLN A 28 -0.622 -12.897 -7.975 1.00 62.11 H new ATOM 435 N TYR A 29 -3.295 -6.902 -5.176 1.00 13.13 N ATOM 436 CA TYR A 29 -3.181 -5.455 -5.041 1.00 62.32 C ATOM 437 C TYR A 29 -2.395 -4.861 -6.206 1.00 43.12 C ATOM 438 O TYR A 29 -1.543 -5.523 -6.799 1.00 63.31 O ATOM 439 CB TYR A 29 -2.502 -5.096 -3.719 1.00 30.10 C ATOM 440 CG TYR A 29 -3.442 -5.102 -2.534 1.00 52.32 C ATOM 441 CD1 TYR A 29 -4.309 -4.040 -2.306 1.00 64.23 C ATOM 442 CD2 TYR A 29 -3.462 -6.168 -1.643 1.00 42.21 C ATOM 443 CE1 TYR A 29 -5.170 -4.040 -1.225 1.00 70.14 C ATOM 444 CE2 TYR A 29 -4.321 -6.177 -0.560 1.00 43.23 C ATOM 445 CZ TYR A 29 -5.172 -5.111 -0.356 1.00 11.14 C ATOM 446 OH TYR A 29 -6.027 -5.116 0.723 1.00 65.24 O ATOM 0 H TYR A 29 -2.473 -7.421 -4.868 1.00 13.13 H new ATOM 0 HA TYR A 29 -4.187 -5.034 -5.051 1.00 62.32 H new ATOM 0 HB2 TYR A 29 -1.692 -5.801 -3.533 1.00 30.10 H new ATOM 0 HB3 TYR A 29 -2.050 -4.108 -3.809 1.00 30.10 H new ATOM 0 HD1 TYR A 29 -4.310 -3.200 -2.985 1.00 64.23 H new ATOM 0 HD2 TYR A 29 -2.795 -7.003 -1.799 1.00 42.21 H new ATOM 0 HE1 TYR A 29 -5.837 -3.207 -1.062 1.00 70.14 H new ATOM 0 HE2 TYR A 29 -4.326 -7.014 0.122 1.00 43.23 H new ATOM 0 HH TYR A 29 -5.945 -4.269 1.209 1.00 65.24 H new ATOM 456 N LYS A 30 -2.688 -3.606 -6.530 1.00 2.33 N ATOM 457 CA LYS A 30 -2.009 -2.919 -7.622 1.00 45.54 C ATOM 458 C LYS A 30 -1.818 -1.440 -7.299 1.00 51.45 C ATOM 459 O LYS A 30 -2.317 -0.946 -6.288 1.00 1.40 O ATOM 460 CB LYS A 30 -2.806 -3.069 -8.920 1.00 62.21 C ATOM 461 CG LYS A 30 -2.027 -3.744 -10.036 1.00 64.31 C ATOM 462 CD LYS A 30 -2.852 -4.822 -10.719 1.00 14.32 C ATOM 463 CE LYS A 30 -2.182 -5.314 -11.993 1.00 32.34 C ATOM 464 NZ LYS A 30 -3.153 -5.447 -13.114 1.00 25.55 N ATOM 0 H LYS A 30 -3.392 -3.044 -6.051 1.00 2.33 H new ATOM 0 HA LYS A 30 -1.027 -3.375 -7.750 1.00 45.54 H new ATOM 0 HB2 LYS A 30 -3.709 -3.645 -8.718 1.00 62.21 H new ATOM 0 HB3 LYS A 30 -3.126 -2.083 -9.256 1.00 62.21 H new ATOM 0 HG2 LYS A 30 -1.722 -2.998 -10.770 1.00 64.31 H new ATOM 0 HG3 LYS A 30 -1.116 -4.184 -9.630 1.00 64.31 H new ATOM 0 HD2 LYS A 30 -2.996 -5.659 -10.036 1.00 14.32 H new ATOM 0 HD3 LYS A 30 -3.841 -4.430 -10.955 1.00 14.32 H new ATOM 0 HE2 LYS A 30 -1.391 -4.621 -12.278 1.00 32.34 H new ATOM 0 HE3 LYS A 30 -1.709 -6.278 -11.806 1.00 32.34 H new ATOM 0 HZ1 LYS A 30 -2.658 -5.785 -13.964 1.00 25.55 H new ATOM 0 HZ2 LYS A 30 -3.894 -6.128 -12.852 1.00 25.55 H new ATOM 0 HZ3 LYS A 30 -3.586 -4.522 -13.310 1.00 25.55 H new ATOM 478 N LEU A 31 -1.096 -0.739 -8.166 1.00 4.32 N ATOM 479 CA LEU A 31 -0.841 0.685 -7.974 1.00 43.41 C ATOM 480 C LEU A 31 -2.145 1.448 -7.760 1.00 45.13 C ATOM 481 O LEU A 31 -2.200 2.399 -6.980 1.00 23.34 O ATOM 482 CB LEU A 31 -0.094 1.257 -9.180 1.00 41.13 C ATOM 483 CG LEU A 31 1.343 1.712 -8.927 1.00 13.05 C ATOM 484 CD1 LEU A 31 1.361 2.972 -8.075 1.00 22.21 C ATOM 485 CD2 LEU A 31 2.144 0.602 -8.259 1.00 40.43 C ATOM 0 H LEU A 31 -0.677 -1.133 -9.008 1.00 4.32 H new ATOM 0 HA LEU A 31 -0.223 0.801 -7.084 1.00 43.41 H new ATOM 0 HB2 LEU A 31 -0.081 0.502 -9.966 1.00 41.13 H new ATOM 0 HB3 LEU A 31 -0.660 2.106 -9.563 1.00 41.13 H new ATOM 0 HG LEU A 31 1.807 1.940 -9.887 1.00 13.05 H new ATOM 0 HD11 LEU A 31 2.392 3.282 -7.905 1.00 22.21 H new ATOM 0 HD12 LEU A 31 0.824 3.768 -8.591 1.00 22.21 H new ATOM 0 HD13 LEU A 31 0.880 2.771 -7.118 1.00 22.21 H new ATOM 0 HD21 LEU A 31 3.165 0.943 -8.086 1.00 40.43 H new ATOM 0 HD22 LEU A 31 1.682 0.343 -7.306 1.00 40.43 H new ATOM 0 HD23 LEU A 31 2.159 -0.275 -8.906 1.00 40.43 H new ATOM 497 N LYS A 32 -3.194 1.024 -8.457 1.00 25.01 N ATOM 498 CA LYS A 32 -4.498 1.663 -8.343 1.00 11.24 C ATOM 499 C LYS A 32 -4.850 1.924 -6.880 1.00 70.24 C ATOM 500 O LYS A 32 -5.396 2.974 -6.541 1.00 71.30 O ATOM 501 CB LYS A 32 -5.576 0.791 -8.989 1.00 53.10 C ATOM 502 CG LYS A 32 -5.401 0.620 -10.488 1.00 51.32 C ATOM 503 CD LYS A 32 -6.244 1.618 -11.265 1.00 73.34 C ATOM 504 CE LYS A 32 -5.394 2.443 -12.218 1.00 52.51 C ATOM 505 NZ LYS A 32 -6.189 2.957 -13.367 1.00 53.05 N ATOM 0 H LYS A 32 -3.165 0.239 -9.108 1.00 25.01 H new ATOM 0 HA LYS A 32 -4.452 2.619 -8.865 1.00 11.24 H new ATOM 0 HB2 LYS A 32 -5.569 -0.191 -8.516 1.00 53.10 H new ATOM 0 HB3 LYS A 32 -6.554 1.232 -8.794 1.00 53.10 H new ATOM 0 HG2 LYS A 32 -4.351 0.748 -10.750 1.00 51.32 H new ATOM 0 HG3 LYS A 32 -5.680 -0.394 -10.775 1.00 51.32 H new ATOM 0 HD2 LYS A 32 -7.012 1.087 -11.828 1.00 73.34 H new ATOM 0 HD3 LYS A 32 -6.759 2.280 -10.569 1.00 73.34 H new ATOM 0 HE2 LYS A 32 -4.952 3.281 -11.678 1.00 52.51 H new ATOM 0 HE3 LYS A 32 -4.570 1.834 -12.590 1.00 52.51 H new ATOM 0 HZ1 LYS A 32 -5.574 3.514 -13.993 1.00 53.05 H new ATOM 0 HZ2 LYS A 32 -6.590 2.157 -13.897 1.00 53.05 H new ATOM 0 HZ3 LYS A 32 -6.960 3.559 -13.014 1.00 53.05 H new ATOM 519 N HIS A 33 -4.532 0.961 -6.020 1.00 54.25 N ATOM 520 CA HIS A 33 -4.813 1.087 -4.594 1.00 41.42 C ATOM 521 C HIS A 33 -3.876 2.102 -3.944 1.00 43.22 C ATOM 522 O HIS A 33 -4.383 2.954 -3.215 1.00 21.14 O ATOM 523 CB HIS A 33 -4.672 -0.268 -3.903 1.00 20.52 C ATOM 524 CG HIS A 33 -5.531 -1.339 -4.503 1.00 32.04 C ATOM 525 ND1 HIS A 33 -5.022 -2.402 -5.218 1.00 45.30 N ATOM 526 CD2 HIS A 33 -6.875 -1.507 -4.489 1.00 3.20 C ATOM 527 CE1 HIS A 33 -6.014 -3.175 -5.620 1.00 23.25 C ATOM 528 NE2 HIS A 33 -7.150 -2.654 -5.190 1.00 63.31 N ATOM 0 H HIS A 33 -4.080 0.086 -6.285 1.00 54.25 H new ATOM 0 HA HIS A 33 -5.838 1.439 -4.481 1.00 41.42 H new ATOM 0 HB2 HIS A 33 -3.629 -0.583 -3.948 1.00 20.52 H new ATOM 0 HB3 HIS A 33 -4.927 -0.157 -2.849 1.00 20.52 H new ATOM 0 HD2 HIS A 33 -7.596 -0.858 -4.014 1.00 3.20 H new ATOM 0 HE1 HIS A 33 -5.914 -4.080 -6.202 1.00 23.25 H new ATOM 0 HE2 HIS A 33 -8.079 -3.041 -5.353 1.00 63.31 H new ATOM 536 N ILE A 34 -2.569 2.036 -4.180 1.00 53.35 N ATOM 537 CA ILE A 34 -1.637 2.984 -3.584 1.00 33.42 C ATOM 538 C ILE A 34 -2.034 4.421 -3.902 1.00 13.32 C ATOM 539 O ILE A 34 -2.243 5.233 -2.999 1.00 62.14 O ATOM 540 CB ILE A 34 -0.198 2.741 -4.074 1.00 25.43 C ATOM 541 CG1 ILE A 34 0.276 1.345 -3.662 1.00 73.04 C ATOM 542 CG2 ILE A 34 0.737 3.807 -3.521 1.00 12.23 C ATOM 543 CD1 ILE A 34 0.921 0.569 -4.790 1.00 51.41 C ATOM 0 H ILE A 34 -2.133 1.336 -4.780 1.00 53.35 H new ATOM 0 HA ILE A 34 -1.677 2.829 -2.506 1.00 33.42 H new ATOM 0 HB ILE A 34 -0.186 2.802 -5.162 1.00 25.43 H new ATOM 0 HG12 ILE A 34 0.988 1.439 -2.842 1.00 73.04 H new ATOM 0 HG13 ILE A 34 -0.574 0.779 -3.282 1.00 73.04 H new ATOM 0 HG21 ILE A 34 1.751 3.622 -3.876 1.00 12.23 H new ATOM 0 HG22 ILE A 34 0.408 4.790 -3.859 1.00 12.23 H new ATOM 0 HG23 ILE A 34 0.723 3.774 -2.432 1.00 12.23 H new ATOM 0 HD11 ILE A 34 1.233 -0.410 -4.426 1.00 51.41 H new ATOM 0 HD12 ILE A 34 0.204 0.444 -5.602 1.00 51.41 H new ATOM 0 HD13 ILE A 34 1.791 1.114 -5.155 1.00 51.41 H new ATOM 555 N VAL A 35 -2.141 4.728 -5.190 1.00 40.45 N ATOM 556 CA VAL A 35 -2.517 6.068 -5.629 1.00 24.24 C ATOM 557 C VAL A 35 -3.753 6.563 -4.885 1.00 65.50 C ATOM 558 O VAL A 35 -3.714 7.594 -4.214 1.00 32.12 O ATOM 559 CB VAL A 35 -2.792 6.106 -7.143 1.00 32.02 C ATOM 560 CG1 VAL A 35 -3.218 7.501 -7.573 1.00 51.25 C ATOM 561 CG2 VAL A 35 -1.566 5.651 -7.920 1.00 34.51 C ATOM 0 H VAL A 35 -1.973 4.068 -5.949 1.00 40.45 H new ATOM 0 HA VAL A 35 -1.675 6.723 -5.405 1.00 24.24 H new ATOM 0 HB VAL A 35 -3.608 5.418 -7.363 1.00 32.02 H new ATOM 0 HG11 VAL A 35 -3.408 7.509 -8.646 1.00 51.25 H new ATOM 0 HG12 VAL A 35 -4.127 7.784 -7.041 1.00 51.25 H new ATOM 0 HG13 VAL A 35 -2.425 8.212 -7.340 1.00 51.25 H new ATOM 0 HG21 VAL A 35 -1.779 5.684 -8.988 1.00 34.51 H new ATOM 0 HG22 VAL A 35 -0.728 6.311 -7.696 1.00 34.51 H new ATOM 0 HG23 VAL A 35 -1.311 4.631 -7.633 1.00 34.51 H new ATOM 571 N TRP A 36 -4.847 5.820 -5.009 1.00 21.34 N ATOM 572 CA TRP A 36 -6.095 6.183 -4.348 1.00 55.13 C ATOM 573 C TRP A 36 -5.900 6.296 -2.840 1.00 71.43 C ATOM 574 O TRP A 36 -6.500 7.151 -2.190 1.00 3.03 O ATOM 575 CB TRP A 36 -7.179 5.150 -4.658 1.00 51.12 C ATOM 576 CG TRP A 36 -8.434 5.349 -3.863 1.00 21.34 C ATOM 577 CD1 TRP A 36 -9.545 6.045 -4.245 1.00 22.52 C ATOM 578 CD2 TRP A 36 -8.704 4.847 -2.549 1.00 1.11 C ATOM 579 NE1 TRP A 36 -10.490 6.005 -3.247 1.00 42.25 N ATOM 580 CE2 TRP A 36 -9.999 5.276 -2.198 1.00 31.11 C ATOM 581 CE3 TRP A 36 -7.979 4.075 -1.636 1.00 55.15 C ATOM 582 CZ2 TRP A 36 -10.581 4.960 -0.973 1.00 51.11 C ATOM 583 CZ3 TRP A 36 -8.558 3.762 -0.422 1.00 53.42 C ATOM 584 CH2 TRP A 36 -9.849 4.203 -0.098 1.00 42.24 C ATOM 0 H TRP A 36 -4.895 4.963 -5.561 1.00 21.34 H new ATOM 0 HA TRP A 36 -6.409 7.155 -4.729 1.00 55.13 H new ATOM 0 HB2 TRP A 36 -7.420 5.194 -5.720 1.00 51.12 H new ATOM 0 HB3 TRP A 36 -6.787 4.152 -4.461 1.00 51.12 H new ATOM 0 HD1 TRP A 36 -9.664 6.552 -5.191 1.00 22.52 H new ATOM 0 HE1 TRP A 36 -11.408 6.447 -3.283 1.00 42.25 H new ATOM 0 HE3 TRP A 36 -6.984 3.730 -1.876 1.00 55.15 H new ATOM 0 HZ2 TRP A 36 -11.575 5.300 -0.722 1.00 51.11 H new ATOM 0 HZ3 TRP A 36 -8.007 3.167 0.291 1.00 53.42 H new ATOM 0 HH2 TRP A 36 -10.274 3.941 0.860 1.00 42.24 H new ATOM 595 N ALA A 37 -5.057 5.428 -2.290 1.00 21.01 N ATOM 596 CA ALA A 37 -4.781 5.433 -0.859 1.00 14.52 C ATOM 597 C ALA A 37 -4.094 6.727 -0.437 1.00 14.12 C ATOM 598 O ALA A 37 -4.551 7.414 0.477 1.00 33.33 O ATOM 599 CB ALA A 37 -3.926 4.232 -0.482 1.00 51.31 C ATOM 0 H ALA A 37 -4.553 4.712 -2.814 1.00 21.01 H new ATOM 0 HA ALA A 37 -5.732 5.368 -0.331 1.00 14.52 H new ATOM 0 HB1 ALA A 37 -3.728 4.249 0.590 1.00 51.31 H new ATOM 0 HB2 ALA A 37 -4.455 3.314 -0.739 1.00 51.31 H new ATOM 0 HB3 ALA A 37 -2.982 4.272 -1.026 1.00 51.31 H new ATOM 605 N SER A 38 -2.994 7.054 -1.107 1.00 32.11 N ATOM 606 CA SER A 38 -2.241 8.265 -0.798 1.00 34.43 C ATOM 607 C SER A 38 -3.108 9.506 -0.986 1.00 33.44 C ATOM 608 O SER A 38 -2.969 10.490 -0.259 1.00 23.04 O ATOM 609 CB SER A 38 -0.997 8.357 -1.683 1.00 55.13 C ATOM 610 OG SER A 38 -0.315 7.117 -1.734 1.00 65.14 O ATOM 0 H SER A 38 -2.604 6.498 -1.868 1.00 32.11 H new ATOM 0 HA SER A 38 -1.931 8.215 0.246 1.00 34.43 H new ATOM 0 HB2 SER A 38 -1.285 8.659 -2.690 1.00 55.13 H new ATOM 0 HB3 SER A 38 -0.329 9.127 -1.298 1.00 55.13 H new ATOM 0 HG SER A 38 -0.827 6.484 -2.280 1.00 65.14 H new ATOM 616 N ARG A 39 -4.003 9.451 -1.966 1.00 41.24 N ATOM 617 CA ARG A 39 -4.892 10.572 -2.253 1.00 31.45 C ATOM 618 C ARG A 39 -5.988 10.679 -1.196 1.00 61.44 C ATOM 619 O ARG A 39 -6.179 11.733 -0.592 1.00 3.32 O ATOM 620 CB ARG A 39 -5.519 10.411 -3.639 1.00 43.40 C ATOM 621 CG ARG A 39 -4.729 11.088 -4.746 1.00 44.20 C ATOM 622 CD ARG A 39 -5.643 11.627 -5.835 1.00 31.10 C ATOM 623 NE ARG A 39 -4.895 12.082 -7.003 1.00 21.32 N ATOM 624 CZ ARG A 39 -5.468 12.498 -8.127 1.00 33.34 C ATOM 625 NH1 ARG A 39 -6.789 12.516 -8.233 1.00 75.24 N ATOM 626 NH2 ARG A 39 -4.719 12.896 -9.148 1.00 33.14 N ATOM 0 H ARG A 39 -4.133 8.643 -2.575 1.00 41.24 H new ATOM 0 HA ARG A 39 -4.301 11.488 -2.234 1.00 31.45 H new ATOM 0 HB2 ARG A 39 -5.610 9.349 -3.866 1.00 43.40 H new ATOM 0 HB3 ARG A 39 -6.529 10.821 -3.622 1.00 43.40 H new ATOM 0 HG2 ARG A 39 -4.140 11.904 -4.327 1.00 44.20 H new ATOM 0 HG3 ARG A 39 -4.025 10.377 -5.179 1.00 44.20 H new ATOM 0 HD2 ARG A 39 -6.346 10.850 -6.135 1.00 31.10 H new ATOM 0 HD3 ARG A 39 -6.232 12.454 -5.437 1.00 31.10 H new ATOM 0 HE ARG A 39 -3.876 12.080 -6.953 1.00 21.32 H new ATOM 0 HH11 ARG A 39 -7.368 12.210 -7.451 1.00 75.24 H new ATOM 0 HH12 ARG A 39 -7.227 12.836 -9.097 1.00 75.24 H new ATOM 0 HH21 ARG A 39 -3.702 12.883 -9.070 1.00 33.14 H new ATOM 0 HH22 ARG A 39 -5.160 13.215 -10.010 1.00 33.14 H new ATOM 640 N GLU A 40 -6.705 9.580 -0.980 1.00 43.22 N ATOM 641 CA GLU A 40 -7.782 9.553 0.002 1.00 72.33 C ATOM 642 C GLU A 40 -7.304 10.085 1.349 1.00 10.31 C ATOM 643 O GLU A 40 -7.994 10.871 2.000 1.00 54.21 O ATOM 644 CB GLU A 40 -8.317 8.129 0.166 1.00 61.54 C ATOM 645 CG GLU A 40 -9.795 8.069 0.516 1.00 44.52 C ATOM 646 CD GLU A 40 -10.688 8.344 -0.678 1.00 14.32 C ATOM 647 OE1 GLU A 40 -10.377 9.273 -1.452 1.00 1.24 O ATOM 648 OE2 GLU A 40 -11.701 7.630 -0.837 1.00 62.31 O ATOM 0 H GLU A 40 -6.559 8.698 -1.471 1.00 43.22 H new ATOM 0 HA GLU A 40 -8.584 10.196 -0.360 1.00 72.33 H new ATOM 0 HB2 GLU A 40 -8.149 7.578 -0.760 1.00 61.54 H new ATOM 0 HB3 GLU A 40 -7.747 7.624 0.946 1.00 61.54 H new ATOM 0 HG2 GLU A 40 -10.029 7.085 0.921 1.00 44.52 H new ATOM 0 HG3 GLU A 40 -10.009 8.795 1.300 1.00 44.52 H new ATOM 655 N LEU A 41 -6.118 9.652 1.763 1.00 14.34 N ATOM 656 CA LEU A 41 -5.546 10.084 3.034 1.00 50.42 C ATOM 657 C LEU A 41 -5.393 11.602 3.074 1.00 70.13 C ATOM 658 O LEU A 41 -5.477 12.215 4.137 1.00 11.41 O ATOM 659 CB LEU A 41 -4.188 9.417 3.257 1.00 41.24 C ATOM 660 CG LEU A 41 -4.223 7.940 3.650 1.00 45.23 C ATOM 661 CD1 LEU A 41 -2.868 7.292 3.408 1.00 20.12 C ATOM 662 CD2 LEU A 41 -4.638 7.784 5.105 1.00 44.44 C ATOM 0 H LEU A 41 -5.534 9.002 1.237 1.00 14.34 H new ATOM 0 HA LEU A 41 -6.226 9.785 3.831 1.00 50.42 H new ATOM 0 HB2 LEU A 41 -3.603 9.515 2.343 1.00 41.24 H new ATOM 0 HB3 LEU A 41 -3.659 9.967 4.035 1.00 41.24 H new ATOM 0 HG LEU A 41 -4.962 7.436 3.027 1.00 45.23 H new ATOM 0 HD11 LEU A 41 -2.911 6.241 3.693 1.00 20.12 H new ATOM 0 HD12 LEU A 41 -2.610 7.371 2.352 1.00 20.12 H new ATOM 0 HD13 LEU A 41 -2.110 7.799 4.005 1.00 20.12 H new ATOM 0 HD21 LEU A 41 -4.657 6.726 5.366 1.00 44.44 H new ATOM 0 HD22 LEU A 41 -3.924 8.303 5.745 1.00 44.44 H new ATOM 0 HD23 LEU A 41 -5.631 8.211 5.248 1.00 44.44 H new ATOM 674 N GLU A 42 -5.170 12.200 1.907 1.00 23.12 N ATOM 675 CA GLU A 42 -5.006 13.646 1.810 1.00 13.12 C ATOM 676 C GLU A 42 -6.317 14.363 2.120 1.00 23.03 C ATOM 677 O GLU A 42 -6.318 15.465 2.669 1.00 53.43 O ATOM 678 CB GLU A 42 -4.518 14.033 0.413 1.00 53.41 C ATOM 679 CG GLU A 42 -4.057 15.477 0.308 1.00 1.44 C ATOM 680 CD GLU A 42 -5.002 16.333 -0.513 1.00 71.04 C ATOM 681 OE1 GLU A 42 -6.224 16.085 -0.459 1.00 35.12 O ATOM 682 OE2 GLU A 42 -4.519 17.250 -1.209 1.00 11.43 O ATOM 0 H GLU A 42 -5.099 11.706 1.017 1.00 23.12 H new ATOM 0 HA GLU A 42 -4.261 13.953 2.545 1.00 13.12 H new ATOM 0 HB2 GLU A 42 -3.695 13.376 0.130 1.00 53.41 H new ATOM 0 HB3 GLU A 42 -5.322 13.864 -0.303 1.00 53.41 H new ATOM 0 HG2 GLU A 42 -3.967 15.899 1.309 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -3.064 15.506 -0.141 1.00 1.44 H new ATOM 689 N ARG A 43 -7.430 13.730 1.764 1.00 63.22 N ATOM 690 CA ARG A 43 -8.747 14.308 2.002 1.00 33.01 C ATOM 691 C ARG A 43 -9.313 13.839 3.339 1.00 23.23 C ATOM 692 O ARG A 43 -10.126 14.527 3.957 1.00 43.22 O ATOM 693 CB ARG A 43 -9.705 13.931 0.871 1.00 42.30 C ATOM 694 CG ARG A 43 -9.568 14.810 -0.362 1.00 51.41 C ATOM 695 CD ARG A 43 -10.237 16.161 -0.160 1.00 21.11 C ATOM 696 NE ARG A 43 -11.670 16.109 -0.437 1.00 24.53 N ATOM 697 CZ ARG A 43 -12.522 17.063 -0.080 1.00 61.53 C ATOM 698 NH1 ARG A 43 -12.088 18.137 0.563 1.00 4.43 N ATOM 699 NH2 ARG A 43 -13.812 16.944 -0.368 1.00 65.34 N ATOM 0 H ARG A 43 -7.446 12.817 1.310 1.00 63.22 H new ATOM 0 HA ARG A 43 -8.640 15.392 2.032 1.00 33.01 H new ATOM 0 HB2 ARG A 43 -9.529 12.893 0.588 1.00 42.30 H new ATOM 0 HB3 ARG A 43 -10.729 13.992 1.238 1.00 42.30 H new ATOM 0 HG2 ARG A 43 -8.512 14.956 -0.591 1.00 51.41 H new ATOM 0 HG3 ARG A 43 -10.013 14.307 -1.220 1.00 51.41 H new ATOM 0 HD2 ARG A 43 -10.078 16.495 0.865 1.00 21.11 H new ATOM 0 HD3 ARG A 43 -9.768 16.899 -0.811 1.00 21.11 H new ATOM 0 HE ARG A 43 -12.036 15.296 -0.932 1.00 24.53 H new ATOM 0 HH11 ARG A 43 -11.097 18.233 0.785 1.00 4.43 H new ATOM 0 HH12 ARG A 43 -12.745 18.868 0.836 1.00 4.43 H new ATOM 0 HH21 ARG A 43 -14.150 16.119 -0.864 1.00 65.34 H new ATOM 0 HH22 ARG A 43 -14.466 17.677 -0.093 1.00 65.34 H new ATOM 713 N PHE A 44 -8.877 12.664 3.780 1.00 33.22 N ATOM 714 CA PHE A 44 -9.342 12.101 5.043 1.00 0.31 C ATOM 715 C PHE A 44 -8.849 12.935 6.223 1.00 24.12 C ATOM 716 O PHE A 44 -9.344 12.799 7.342 1.00 4.32 O ATOM 717 CB PHE A 44 -8.862 10.656 5.190 1.00 51.41 C ATOM 718 CG PHE A 44 -9.975 9.647 5.140 1.00 44.30 C ATOM 719 CD1 PHE A 44 -11.034 9.720 6.030 1.00 21.54 C ATOM 720 CD2 PHE A 44 -9.960 8.627 4.203 1.00 71.44 C ATOM 721 CE1 PHE A 44 -12.059 8.794 5.986 1.00 33.22 C ATOM 722 CE2 PHE A 44 -10.983 7.699 4.154 1.00 63.41 C ATOM 723 CZ PHE A 44 -12.033 7.781 5.048 1.00 71.25 C ATOM 0 H PHE A 44 -8.203 12.083 3.282 1.00 33.22 H new ATOM 0 HA PHE A 44 -10.432 12.115 5.039 1.00 0.31 H new ATOM 0 HB2 PHE A 44 -8.147 10.436 4.397 1.00 51.41 H new ATOM 0 HB3 PHE A 44 -8.330 10.552 6.136 1.00 51.41 H new ATOM 0 HD1 PHE A 44 -11.059 10.509 6.767 1.00 21.54 H new ATOM 0 HD2 PHE A 44 -9.140 8.556 3.503 1.00 71.44 H new ATOM 0 HE1 PHE A 44 -12.880 8.863 6.685 1.00 33.22 H new ATOM 0 HE2 PHE A 44 -10.962 6.910 3.417 1.00 63.41 H new ATOM 0 HZ PHE A 44 -12.832 7.055 5.013 1.00 71.25 H new ATOM 733 N ALA A 45 -7.870 13.795 5.964 1.00 53.12 N ATOM 734 CA ALA A 45 -7.311 14.651 7.003 1.00 63.03 C ATOM 735 C ALA A 45 -6.116 13.987 7.677 1.00 64.24 C ATOM 736 O ALA A 45 -5.546 14.525 8.626 1.00 21.12 O ATOM 737 CB ALA A 45 -8.376 14.996 8.033 1.00 61.13 C ATOM 0 H ALA A 45 -7.448 13.918 5.044 1.00 53.12 H new ATOM 0 HA ALA A 45 -6.965 15.571 6.533 1.00 63.03 H new ATOM 0 HB1 ALA A 45 -7.944 15.636 8.803 1.00 61.13 H new ATOM 0 HB2 ALA A 45 -9.198 15.520 7.545 1.00 61.13 H new ATOM 0 HB3 ALA A 45 -8.750 14.080 8.490 1.00 61.13 H new ATOM 743 N VAL A 46 -5.739 12.813 7.180 1.00 21.51 N ATOM 744 CA VAL A 46 -4.610 12.074 7.735 1.00 74.21 C ATOM 745 C VAL A 46 -3.375 12.216 6.854 1.00 50.22 C ATOM 746 O VAL A 46 -3.416 11.930 5.658 1.00 53.10 O ATOM 747 CB VAL A 46 -4.943 10.578 7.896 1.00 74.03 C ATOM 748 CG1 VAL A 46 -3.674 9.768 8.107 1.00 4.13 C ATOM 749 CG2 VAL A 46 -5.916 10.371 9.047 1.00 32.22 C ATOM 0 H VAL A 46 -6.199 12.353 6.394 1.00 21.51 H new ATOM 0 HA VAL A 46 -4.404 12.500 8.717 1.00 74.21 H new ATOM 0 HB VAL A 46 -5.419 10.228 6.980 1.00 74.03 H new ATOM 0 HG11 VAL A 46 -3.929 8.714 8.219 1.00 4.13 H new ATOM 0 HG12 VAL A 46 -3.016 9.893 7.247 1.00 4.13 H new ATOM 0 HG13 VAL A 46 -3.166 10.115 9.007 1.00 4.13 H new ATOM 0 HG21 VAL A 46 -6.141 9.309 9.147 1.00 32.22 H new ATOM 0 HG22 VAL A 46 -5.469 10.736 9.972 1.00 32.22 H new ATOM 0 HG23 VAL A 46 -6.837 10.919 8.848 1.00 32.22 H new ATOM 759 N ASN A 47 -2.275 12.659 7.454 1.00 11.11 N ATOM 760 CA ASN A 47 -1.025 12.840 6.725 1.00 60.45 C ATOM 761 C ASN A 47 -0.665 11.580 5.943 1.00 51.13 C ATOM 762 O ASN A 47 -0.575 10.483 6.493 1.00 30.30 O ATOM 763 CB ASN A 47 0.107 13.195 7.689 1.00 11.45 C ATOM 764 CG ASN A 47 0.550 14.640 7.554 1.00 33.42 C ATOM 765 OD1 ASN A 47 -0.248 15.516 7.224 1.00 50.55 O ATOM 766 ND2 ASN A 47 1.828 14.894 7.810 1.00 21.44 N ATOM 0 H ASN A 47 -2.224 12.899 8.444 1.00 11.11 H new ATOM 0 HA ASN A 47 -1.161 13.659 6.019 1.00 60.45 H new ATOM 0 HB2 ASN A 47 -0.220 13.012 8.713 1.00 11.45 H new ATOM 0 HB3 ASN A 47 0.957 12.538 7.504 1.00 11.45 H new ATOM 0 HD21 ASN A 47 2.183 15.847 7.736 1.00 21.44 H new ATOM 0 HD22 ASN A 47 2.454 14.136 8.081 1.00 21.44 H new ATOM 773 N PRO A 48 -0.453 11.739 4.628 1.00 11.52 N ATOM 774 CA PRO A 48 -0.098 10.627 3.742 1.00 33.40 C ATOM 775 C PRO A 48 1.310 10.103 4.006 1.00 53.14 C ATOM 776 O PRO A 48 1.697 9.053 3.495 1.00 50.53 O ATOM 777 CB PRO A 48 -0.187 11.244 2.344 1.00 2.04 C ATOM 778 CG PRO A 48 0.044 12.700 2.558 1.00 70.21 C ATOM 779 CD PRO A 48 -0.544 13.019 3.904 1.00 4.43 C ATOM 0 HA PRO A 48 -0.752 9.767 3.885 1.00 33.40 H new ATOM 0 HB2 PRO A 48 0.561 10.818 1.675 1.00 2.04 H new ATOM 0 HB3 PRO A 48 -1.161 11.060 1.891 1.00 2.04 H new ATOM 0 HG2 PRO A 48 1.108 12.934 2.532 1.00 70.21 H new ATOM 0 HG3 PRO A 48 -0.432 13.290 1.775 1.00 70.21 H new ATOM 0 HD2 PRO A 48 0.014 13.807 4.410 1.00 4.43 H new ATOM 0 HD3 PRO A 48 -1.576 13.361 3.821 1.00 4.43 H new ATOM 787 N GLY A 49 2.071 10.843 4.806 1.00 24.42 N ATOM 788 CA GLY A 49 3.428 10.436 5.123 1.00 74.21 C ATOM 789 C GLY A 49 3.472 9.220 6.026 1.00 24.51 C ATOM 790 O GLY A 49 4.543 8.667 6.284 1.00 2.14 O ATOM 0 H GLY A 49 1.773 11.716 5.240 1.00 24.42 H new ATOM 0 HA2 GLY A 49 3.964 10.218 4.199 1.00 74.21 H new ATOM 0 HA3 GLY A 49 3.949 11.263 5.606 1.00 74.21 H new ATOM 794 N LEU A 50 2.308 8.801 6.510 1.00 63.21 N ATOM 795 CA LEU A 50 2.218 7.642 7.392 1.00 1.22 C ATOM 796 C LEU A 50 2.326 6.344 6.598 1.00 14.54 C ATOM 797 O LEU A 50 2.335 5.253 7.170 1.00 14.53 O ATOM 798 CB LEU A 50 0.901 7.671 8.170 1.00 31.23 C ATOM 799 CG LEU A 50 0.626 8.939 8.977 1.00 13.41 C ATOM 800 CD1 LEU A 50 -0.851 9.040 9.328 1.00 73.54 C ATOM 801 CD2 LEU A 50 1.477 8.965 10.239 1.00 44.14 C ATOM 0 H LEU A 50 1.413 9.246 6.307 1.00 63.21 H new ATOM 0 HA LEU A 50 3.049 7.685 8.096 1.00 1.22 H new ATOM 0 HB2 LEU A 50 0.082 7.529 7.465 1.00 31.23 H new ATOM 0 HB3 LEU A 50 0.886 6.820 8.851 1.00 31.23 H new ATOM 0 HG LEU A 50 0.893 9.800 8.364 1.00 13.41 H new ATOM 0 HD11 LEU A 50 -1.027 9.949 9.903 1.00 73.54 H new ATOM 0 HD12 LEU A 50 -1.441 9.069 8.412 1.00 73.54 H new ATOM 0 HD13 LEU A 50 -1.144 8.174 9.921 1.00 73.54 H new ATOM 0 HD21 LEU A 50 1.267 9.875 10.801 1.00 44.14 H new ATOM 0 HD22 LEU A 50 1.242 8.097 10.854 1.00 44.14 H new ATOM 0 HD23 LEU A 50 2.532 8.942 9.967 1.00 44.14 H new ATOM 813 N LEU A 51 2.409 6.469 5.279 1.00 71.10 N ATOM 814 CA LEU A 51 2.519 5.306 4.406 1.00 73.21 C ATOM 815 C LEU A 51 3.980 4.966 4.132 1.00 15.12 C ATOM 816 O LEU A 51 4.291 3.896 3.609 1.00 35.25 O ATOM 817 CB LEU A 51 1.787 5.562 3.087 1.00 62.11 C ATOM 818 CG LEU A 51 0.333 6.019 3.203 1.00 31.21 C ATOM 819 CD1 LEU A 51 -0.301 6.142 1.826 1.00 5.14 C ATOM 820 CD2 LEU A 51 -0.461 5.054 4.073 1.00 44.50 C ATOM 0 H LEU A 51 2.402 7.364 4.790 1.00 71.10 H new ATOM 0 HA LEU A 51 2.057 4.458 4.912 1.00 73.21 H new ATOM 0 HB2 LEU A 51 2.340 6.317 2.528 1.00 62.11 H new ATOM 0 HB3 LEU A 51 1.813 4.646 2.497 1.00 62.11 H new ATOM 0 HG LEU A 51 0.318 7.001 3.676 1.00 31.21 H new ATOM 0 HD11 LEU A 51 -1.336 6.468 1.930 1.00 5.14 H new ATOM 0 HD12 LEU A 51 0.252 6.872 1.235 1.00 5.14 H new ATOM 0 HD13 LEU A 51 -0.274 5.174 1.325 1.00 5.14 H new ATOM 0 HD21 LEU A 51 -1.494 5.395 4.145 1.00 44.50 H new ATOM 0 HD22 LEU A 51 -0.437 4.059 3.628 1.00 44.50 H new ATOM 0 HD23 LEU A 51 -0.021 5.017 5.070 1.00 44.50 H new ATOM 832 N GLU A 52 4.873 5.883 4.492 1.00 72.35 N ATOM 833 CA GLU A 52 6.302 5.678 4.286 1.00 10.42 C ATOM 834 C GLU A 52 7.002 5.366 5.605 1.00 1.04 C ATOM 835 O GLU A 52 8.022 5.969 5.938 1.00 1.45 O ATOM 836 CB GLU A 52 6.929 6.918 3.644 1.00 61.12 C ATOM 837 CG GLU A 52 6.512 8.222 4.303 1.00 65.45 C ATOM 838 CD GLU A 52 7.190 9.430 3.685 1.00 41.23 C ATOM 839 OE1 GLU A 52 6.854 9.774 2.533 1.00 72.03 O ATOM 840 OE2 GLU A 52 8.055 10.031 4.355 1.00 43.22 O ATOM 0 H GLU A 52 4.632 6.774 4.927 1.00 72.35 H new ATOM 0 HA GLU A 52 6.429 4.827 3.617 1.00 10.42 H new ATOM 0 HB2 GLU A 52 8.015 6.830 3.688 1.00 61.12 H new ATOM 0 HB3 GLU A 52 6.654 6.949 2.590 1.00 61.12 H new ATOM 0 HG2 GLU A 52 5.431 8.336 4.223 1.00 65.45 H new ATOM 0 HG3 GLU A 52 6.750 8.180 5.366 1.00 65.45 H new ATOM 847 N THR A 53 6.447 4.417 6.353 1.00 52.12 N ATOM 848 CA THR A 53 7.015 4.024 7.636 1.00 40.32 C ATOM 849 C THR A 53 6.222 2.885 8.263 1.00 34.44 C ATOM 850 O THR A 53 5.019 3.007 8.497 1.00 41.34 O ATOM 851 CB THR A 53 7.055 5.210 8.619 1.00 33.30 C ATOM 852 OG1 THR A 53 6.995 4.730 9.967 1.00 31.31 O ATOM 853 CG2 THR A 53 5.899 6.164 8.363 1.00 75.21 C ATOM 0 H THR A 53 5.604 3.906 6.091 1.00 52.12 H new ATOM 0 HA THR A 53 8.034 3.688 7.441 1.00 40.32 H new ATOM 0 HB THR A 53 7.990 5.749 8.467 1.00 33.30 H new ATOM 0 HG1 THR A 53 7.022 5.489 10.586 1.00 31.31 H new ATOM 0 HG21 THR A 53 5.948 6.993 9.069 1.00 75.21 H new ATOM 0 HG22 THR A 53 5.964 6.549 7.345 1.00 75.21 H new ATOM 0 HG23 THR A 53 4.955 5.634 8.491 1.00 75.21 H new ATOM 861 N SER A 54 6.902 1.775 8.536 1.00 74.12 N ATOM 862 CA SER A 54 6.258 0.611 9.134 1.00 11.41 C ATOM 863 C SER A 54 5.507 1.000 10.404 1.00 63.51 C ATOM 864 O SER A 54 4.465 0.426 10.720 1.00 51.14 O ATOM 865 CB SER A 54 7.298 -0.465 9.451 1.00 31.21 C ATOM 866 OG SER A 54 6.784 -1.761 9.198 1.00 55.35 O ATOM 0 H SER A 54 7.898 1.658 8.352 1.00 74.12 H new ATOM 0 HA SER A 54 5.541 0.213 8.416 1.00 11.41 H new ATOM 0 HB2 SER A 54 8.191 -0.301 8.848 1.00 31.21 H new ATOM 0 HB3 SER A 54 7.599 -0.387 10.496 1.00 31.21 H new ATOM 0 HG SER A 54 7.480 -2.314 8.786 1.00 55.35 H new ATOM 872 N GLU A 55 6.045 1.976 11.128 1.00 61.44 N ATOM 873 CA GLU A 55 5.426 2.439 12.364 1.00 64.02 C ATOM 874 C GLU A 55 4.308 3.436 12.072 1.00 4.31 C ATOM 875 O GLU A 55 3.387 3.603 12.870 1.00 1.11 O ATOM 876 CB GLU A 55 6.474 3.083 13.275 1.00 40.13 C ATOM 877 CG GLU A 55 7.494 2.099 13.820 1.00 30.23 C ATOM 878 CD GLU A 55 8.460 2.740 14.797 1.00 43.40 C ATOM 879 OE1 GLU A 55 8.870 3.895 14.556 1.00 74.13 O ATOM 880 OE2 GLU A 55 8.806 2.087 15.804 1.00 45.22 O ATOM 0 H GLU A 55 6.907 2.461 10.880 1.00 61.44 H new ATOM 0 HA GLU A 55 4.996 1.575 12.871 1.00 64.02 H new ATOM 0 HB2 GLU A 55 6.995 3.863 12.720 1.00 40.13 H new ATOM 0 HB3 GLU A 55 5.968 3.569 14.110 1.00 40.13 H new ATOM 0 HG2 GLU A 55 6.974 1.279 14.315 1.00 30.23 H new ATOM 0 HG3 GLU A 55 8.055 1.667 12.991 1.00 30.23 H new ATOM 887 N GLY A 56 4.398 4.097 10.922 1.00 4.34 N ATOM 888 CA GLY A 56 3.389 5.071 10.545 1.00 23.41 C ATOM 889 C GLY A 56 2.075 4.422 10.159 1.00 41.14 C ATOM 890 O GLY A 56 1.006 4.891 10.549 1.00 34.04 O ATOM 0 H GLY A 56 5.151 3.976 10.245 1.00 4.34 H new ATOM 0 HA2 GLY A 56 3.222 5.757 11.375 1.00 23.41 H new ATOM 0 HA3 GLY A 56 3.757 5.666 9.709 1.00 23.41 H new ATOM 894 N CYS A 57 2.153 3.343 9.388 1.00 44.44 N ATOM 895 CA CYS A 57 0.960 2.631 8.946 1.00 30.41 C ATOM 896 C CYS A 57 0.124 2.178 10.139 1.00 52.24 C ATOM 897 O CYS A 57 -1.042 2.553 10.269 1.00 21.44 O ATOM 898 CB CYS A 57 1.348 1.422 8.093 1.00 42.02 C ATOM 899 SG CYS A 57 1.183 1.691 6.313 1.00 53.42 S ATOM 0 H CYS A 57 3.030 2.942 9.056 1.00 44.44 H new ATOM 0 HA CYS A 57 0.362 3.315 8.344 1.00 30.41 H new ATOM 0 HB2 CYS A 57 2.380 1.151 8.314 1.00 42.02 H new ATOM 0 HB3 CYS A 57 0.727 0.574 8.381 1.00 42.02 H new ATOM 0 HG CYS A 57 0.074 1.158 5.895 1.00 53.42 H new ATOM 905 N ARG A 58 0.726 1.371 11.005 1.00 73.43 N ATOM 906 CA ARG A 58 0.036 0.866 12.185 1.00 11.13 C ATOM 907 C ARG A 58 -0.651 1.999 12.941 1.00 73.03 C ATOM 908 O ARG A 58 -1.737 1.821 13.493 1.00 21.14 O ATOM 909 CB ARG A 58 1.021 0.148 13.110 1.00 73.51 C ATOM 910 CG ARG A 58 0.445 -1.098 13.763 1.00 65.52 C ATOM 911 CD ARG A 58 0.450 -0.986 15.280 1.00 45.03 C ATOM 912 NE ARG A 58 -0.762 -0.345 15.785 1.00 64.41 N ATOM 913 CZ ARG A 58 -0.861 0.185 16.999 1.00 42.35 C ATOM 914 NH1 ARG A 58 0.175 0.153 17.827 1.00 31.21 N ATOM 915 NH2 ARG A 58 -1.997 0.751 17.386 1.00 65.20 N ATOM 0 H ARG A 58 1.691 1.053 10.912 1.00 73.43 H new ATOM 0 HA ARG A 58 -0.725 0.159 11.854 1.00 11.13 H new ATOM 0 HB2 ARG A 58 1.907 -0.128 12.539 1.00 73.51 H new ATOM 0 HB3 ARG A 58 1.345 0.839 13.888 1.00 73.51 H new ATOM 0 HG2 ARG A 58 -0.575 -1.255 13.412 1.00 65.52 H new ATOM 0 HG3 ARG A 58 1.025 -1.970 13.460 1.00 65.52 H new ATOM 0 HD2 ARG A 58 0.543 -1.980 15.717 1.00 45.03 H new ATOM 0 HD3 ARG A 58 1.322 -0.415 15.599 1.00 45.03 H new ATOM 0 HE ARG A 58 -1.576 -0.302 15.172 1.00 64.41 H new ATOM 0 HH11 ARG A 58 1.050 -0.279 17.532 1.00 31.21 H new ATOM 0 HH12 ARG A 58 0.096 0.561 18.759 1.00 31.21 H new ATOM 0 HH21 ARG A 58 -2.795 0.779 16.751 1.00 65.20 H new ATOM 0 HH22 ARG A 58 -2.072 1.158 18.318 1.00 65.20 H new ATOM 929 N GLN A 59 -0.012 3.164 12.960 1.00 42.54 N ATOM 930 CA GLN A 59 -0.562 4.326 13.647 1.00 35.01 C ATOM 931 C GLN A 59 -1.896 4.740 13.035 1.00 54.41 C ATOM 932 O GLN A 59 -2.803 5.184 13.741 1.00 10.11 O ATOM 933 CB GLN A 59 0.423 5.495 13.589 1.00 24.43 C ATOM 934 CG GLN A 59 1.048 5.832 14.933 1.00 13.12 C ATOM 935 CD GLN A 59 1.992 4.753 15.426 1.00 12.51 C ATOM 936 OE1 GLN A 59 1.761 3.563 15.210 1.00 12.34 O ATOM 937 NE2 GLN A 59 3.065 5.165 16.092 1.00 32.34 N ATOM 0 H GLN A 59 0.887 3.328 12.507 1.00 42.54 H new ATOM 0 HA GLN A 59 -0.730 4.053 14.689 1.00 35.01 H new ATOM 0 HB2 GLN A 59 1.215 5.257 12.879 1.00 24.43 H new ATOM 0 HB3 GLN A 59 -0.093 6.376 13.207 1.00 24.43 H new ATOM 0 HG2 GLN A 59 1.590 6.774 14.851 1.00 13.12 H new ATOM 0 HG3 GLN A 59 0.258 5.982 15.669 1.00 13.12 H new ATOM 0 HE21 GLN A 59 3.217 6.161 16.248 1.00 32.34 H new ATOM 0 HE22 GLN A 59 3.737 4.485 16.447 1.00 32.34 H new ATOM 946 N ILE A 60 -2.009 4.594 11.720 1.00 63.41 N ATOM 947 CA ILE A 60 -3.233 4.952 11.013 1.00 64.33 C ATOM 948 C ILE A 60 -4.379 4.021 11.394 1.00 54.35 C ATOM 949 O ILE A 60 -5.492 4.472 11.672 1.00 32.54 O ATOM 950 CB ILE A 60 -3.035 4.907 9.487 1.00 74.45 C ATOM 951 CG1 ILE A 60 -1.810 5.732 9.084 1.00 61.42 C ATOM 952 CG2 ILE A 60 -4.280 5.416 8.776 1.00 2.22 C ATOM 953 CD1 ILE A 60 -1.238 5.346 7.738 1.00 62.43 C ATOM 0 H ILE A 60 -1.268 4.230 11.121 1.00 63.41 H new ATOM 0 HA ILE A 60 -3.482 5.971 11.308 1.00 64.33 H new ATOM 0 HB ILE A 60 -2.867 3.872 9.188 1.00 74.45 H new ATOM 0 HG12 ILE A 60 -2.083 6.787 9.065 1.00 61.42 H new ATOM 0 HG13 ILE A 60 -1.038 5.616 9.845 1.00 61.42 H new ATOM 0 HG21 ILE A 60 -4.124 5.378 7.698 1.00 2.22 H new ATOM 0 HG22 ILE A 60 -5.132 4.791 9.042 1.00 2.22 H new ATOM 0 HG23 ILE A 60 -4.477 6.445 9.078 1.00 2.22 H new ATOM 0 HD11 ILE A 60 -0.373 5.971 7.517 1.00 62.43 H new ATOM 0 HD12 ILE A 60 -0.934 4.300 7.759 1.00 62.43 H new ATOM 0 HD13 ILE A 60 -1.995 5.489 6.967 1.00 62.43 H new ATOM 965 N LEU A 61 -4.101 2.722 11.405 1.00 2.21 N ATOM 966 CA LEU A 61 -5.109 1.727 11.753 1.00 71.30 C ATOM 967 C LEU A 61 -5.696 2.007 13.132 1.00 15.32 C ATOM 968 O LEU A 61 -6.844 1.661 13.412 1.00 61.44 O ATOM 969 CB LEU A 61 -4.501 0.324 11.721 1.00 43.31 C ATOM 970 CG LEU A 61 -3.911 -0.122 10.383 1.00 52.42 C ATOM 971 CD1 LEU A 61 -3.125 -1.413 10.549 1.00 75.25 C ATOM 972 CD2 LEU A 61 -5.012 -0.294 9.346 1.00 43.35 C ATOM 0 H LEU A 61 -3.186 2.333 11.177 1.00 2.21 H new ATOM 0 HA LEU A 61 -5.911 1.786 11.018 1.00 71.30 H new ATOM 0 HB2 LEU A 61 -3.717 0.272 12.476 1.00 43.31 H new ATOM 0 HB3 LEU A 61 -5.271 -0.391 12.012 1.00 43.31 H new ATOM 0 HG LEU A 61 -3.227 0.652 10.033 1.00 52.42 H new ATOM 0 HD11 LEU A 61 -2.713 -1.714 9.586 1.00 75.25 H new ATOM 0 HD12 LEU A 61 -2.312 -1.256 11.258 1.00 75.25 H new ATOM 0 HD13 LEU A 61 -3.786 -2.196 10.922 1.00 75.25 H new ATOM 0 HD21 LEU A 61 -4.574 -0.612 8.400 1.00 43.35 H new ATOM 0 HD22 LEU A 61 -5.721 -1.048 9.689 1.00 43.35 H new ATOM 0 HD23 LEU A 61 -5.531 0.654 9.205 1.00 43.35 H new ATOM 984 N GLY A 62 -4.903 2.639 13.992 1.00 5.12 N ATOM 985 CA GLY A 62 -5.362 2.958 15.331 1.00 73.30 C ATOM 986 C GLY A 62 -6.467 3.995 15.333 1.00 51.12 C ATOM 987 O GLY A 62 -7.332 3.988 16.209 1.00 71.12 O ATOM 0 H GLY A 62 -3.950 2.936 13.785 1.00 5.12 H new ATOM 0 HA2 GLY A 62 -5.720 2.049 15.815 1.00 73.30 H new ATOM 0 HA3 GLY A 62 -4.523 3.325 15.922 1.00 73.30 H new ATOM 991 N GLN A 63 -6.439 4.891 14.352 1.00 3.31 N ATOM 992 CA GLN A 63 -7.445 5.941 14.246 1.00 23.44 C ATOM 993 C GLN A 63 -8.770 5.376 13.748 1.00 72.43 C ATOM 994 O GLN A 63 -9.824 5.631 14.332 1.00 74.22 O ATOM 995 CB GLN A 63 -6.962 7.046 13.306 1.00 63.13 C ATOM 996 CG GLN A 63 -6.440 8.277 14.030 1.00 61.01 C ATOM 997 CD GLN A 63 -5.441 9.062 13.201 1.00 13.14 C ATOM 998 OE1 GLN A 63 -5.821 9.857 12.341 1.00 4.20 O ATOM 999 NE2 GLN A 63 -4.157 8.843 13.458 1.00 75.52 N ATOM 0 H GLN A 63 -5.730 4.911 13.619 1.00 3.31 H new ATOM 0 HA GLN A 63 -7.601 6.362 15.239 1.00 23.44 H new ATOM 0 HB2 GLN A 63 -6.173 6.649 12.667 1.00 63.13 H new ATOM 0 HB3 GLN A 63 -7.783 7.340 12.653 1.00 63.13 H new ATOM 0 HG2 GLN A 63 -7.278 8.923 14.290 1.00 61.01 H new ATOM 0 HG3 GLN A 63 -5.970 7.972 14.965 1.00 61.01 H new ATOM 0 HE21 GLN A 63 -3.888 8.175 14.180 1.00 75.52 H new ATOM 0 HE22 GLN A 63 -3.439 9.343 12.933 1.00 75.52 H new ATOM 1008 N LEU A 64 -8.711 4.609 12.665 1.00 32.42 N ATOM 1009 CA LEU A 64 -9.908 4.008 12.087 1.00 74.44 C ATOM 1010 C LEU A 64 -10.357 2.797 12.901 1.00 44.24 C ATOM 1011 O LEU A 64 -11.500 2.354 12.791 1.00 62.41 O ATOM 1012 CB LEU A 64 -9.646 3.594 10.638 1.00 23.23 C ATOM 1013 CG LEU A 64 -8.956 4.635 9.757 1.00 72.11 C ATOM 1014 CD1 LEU A 64 -8.542 4.021 8.429 1.00 60.30 C ATOM 1015 CD2 LEU A 64 -9.869 5.832 9.531 1.00 41.20 C ATOM 0 H LEU A 64 -7.847 4.389 12.169 1.00 32.42 H new ATOM 0 HA LEU A 64 -10.704 4.752 12.107 1.00 74.44 H new ATOM 0 HB2 LEU A 64 -9.036 2.691 10.644 1.00 23.23 H new ATOM 0 HB3 LEU A 64 -10.599 3.332 10.178 1.00 23.23 H new ATOM 0 HG LEU A 64 -8.058 4.979 10.270 1.00 72.11 H new ATOM 0 HD11 LEU A 64 -8.052 4.777 7.815 1.00 60.30 H new ATOM 0 HD12 LEU A 64 -7.852 3.197 8.609 1.00 60.30 H new ATOM 0 HD13 LEU A 64 -9.425 3.648 7.910 1.00 60.30 H new ATOM 0 HD21 LEU A 64 -9.361 6.563 8.902 1.00 41.20 H new ATOM 0 HD22 LEU A 64 -10.785 5.503 9.039 1.00 41.20 H new ATOM 0 HD23 LEU A 64 -10.116 6.288 10.490 1.00 41.20 H new ATOM 1027 N GLN A 65 -9.450 2.271 13.717 1.00 10.35 N ATOM 1028 CA GLN A 65 -9.754 1.113 14.550 1.00 13.44 C ATOM 1029 C GLN A 65 -11.049 1.326 15.326 1.00 50.13 C ATOM 1030 O GLN A 65 -12.019 0.582 15.179 1.00 52.34 O ATOM 1031 CB GLN A 65 -8.603 0.840 15.520 1.00 10.51 C ATOM 1032 CG GLN A 65 -7.872 -0.464 15.246 1.00 0.01 C ATOM 1033 CD GLN A 65 -6.604 -0.606 16.065 1.00 60.00 C ATOM 1034 OE1 GLN A 65 -6.404 0.108 17.049 1.00 33.14 O ATOM 1035 NE2 GLN A 65 -5.739 -1.530 15.663 1.00 35.13 N ATOM 0 H GLN A 65 -8.500 2.627 13.819 1.00 10.35 H new ATOM 0 HA GLN A 65 -9.881 0.250 13.896 1.00 13.44 H new ATOM 0 HB2 GLN A 65 -7.891 1.664 15.467 1.00 10.51 H new ATOM 0 HB3 GLN A 65 -8.993 0.821 16.538 1.00 10.51 H new ATOM 0 HG2 GLN A 65 -8.536 -1.301 15.463 1.00 0.01 H new ATOM 0 HG3 GLN A 65 -7.624 -0.521 14.186 1.00 0.01 H new ATOM 0 HE21 GLN A 65 -5.945 -2.099 14.842 1.00 35.13 H new ATOM 0 HE22 GLN A 65 -4.868 -1.671 16.175 1.00 35.13 H new ATOM 1044 N PRO A 66 -11.068 2.365 16.174 1.00 34.25 N ATOM 1045 CA PRO A 66 -12.239 2.700 16.990 1.00 25.12 C ATOM 1046 C PRO A 66 -13.395 3.236 16.153 1.00 14.03 C ATOM 1047 O PRO A 66 -14.457 3.563 16.682 1.00 34.14 O ATOM 1048 CB PRO A 66 -11.714 3.784 17.935 1.00 73.24 C ATOM 1049 CG PRO A 66 -10.571 4.401 17.206 1.00 24.32 C ATOM 1050 CD PRO A 66 -9.948 3.293 16.400 1.00 1.34 C ATOM 0 HA PRO A 66 -12.642 1.827 17.503 1.00 25.12 H new ATOM 0 HB2 PRO A 66 -12.485 4.521 18.159 1.00 73.24 H new ATOM 0 HB3 PRO A 66 -11.394 3.359 18.886 1.00 73.24 H new ATOM 0 HG2 PRO A 66 -10.911 5.210 16.560 1.00 24.32 H new ATOM 0 HG3 PRO A 66 -9.850 4.830 17.902 1.00 24.32 H new ATOM 0 HD2 PRO A 66 -9.536 3.662 15.461 1.00 1.34 H new ATOM 0 HD3 PRO A 66 -9.131 2.814 16.940 1.00 1.34 H new ATOM 1058 N SER A 67 -13.181 3.324 14.844 1.00 40.20 N ATOM 1059 CA SER A 67 -14.205 3.825 13.934 1.00 3.00 C ATOM 1060 C SER A 67 -14.778 2.693 13.088 1.00 63.34 C ATOM 1061 O SER A 67 -15.828 2.842 12.461 1.00 70.33 O ATOM 1062 CB SER A 67 -13.624 4.912 13.028 1.00 41.14 C ATOM 1063 OG SER A 67 -13.092 5.981 13.791 1.00 55.13 O ATOM 0 H SER A 67 -12.308 3.055 14.390 1.00 40.20 H new ATOM 0 HA SER A 67 -15.010 4.253 14.531 1.00 3.00 H new ATOM 0 HB2 SER A 67 -12.843 4.486 12.399 1.00 41.14 H new ATOM 0 HB3 SER A 67 -14.400 5.288 12.362 1.00 41.14 H new ATOM 0 HG SER A 67 -12.132 5.839 13.928 1.00 55.13 H new ATOM 1069 N LEU A 68 -14.082 1.562 13.073 1.00 60.25 N ATOM 1070 CA LEU A 68 -14.520 0.403 12.303 1.00 13.22 C ATOM 1071 C LEU A 68 -15.962 0.038 12.641 1.00 10.41 C ATOM 1072 O LEU A 68 -16.697 -0.474 11.797 1.00 31.42 O ATOM 1073 CB LEU A 68 -13.604 -0.791 12.574 1.00 43.30 C ATOM 1074 CG LEU A 68 -12.239 -0.760 11.885 1.00 70.14 C ATOM 1075 CD1 LEU A 68 -11.293 -1.762 12.528 1.00 63.23 C ATOM 1076 CD2 LEU A 68 -12.387 -1.042 10.397 1.00 40.35 C ATOM 0 H LEU A 68 -13.211 1.423 13.586 1.00 60.25 H new ATOM 0 HA LEU A 68 -14.467 0.661 11.245 1.00 13.22 H new ATOM 0 HB2 LEU A 68 -13.444 -0.864 13.650 1.00 43.30 H new ATOM 0 HB3 LEU A 68 -14.123 -1.699 12.267 1.00 43.30 H new ATOM 0 HG LEU A 68 -11.815 0.237 12.005 1.00 70.14 H new ATOM 0 HD11 LEU A 68 -10.327 -1.725 12.024 1.00 63.23 H new ATOM 0 HD12 LEU A 68 -11.162 -1.515 13.582 1.00 63.23 H new ATOM 0 HD13 LEU A 68 -11.710 -2.765 12.440 1.00 63.23 H new ATOM 0 HD21 LEU A 68 -11.406 -1.016 9.922 1.00 40.35 H new ATOM 0 HD22 LEU A 68 -12.832 -2.027 10.256 1.00 40.35 H new ATOM 0 HD23 LEU A 68 -13.029 -0.285 9.945 1.00 40.35 H new ATOM 1088 N GLN A 69 -16.361 0.309 13.880 1.00 70.13 N ATOM 1089 CA GLN A 69 -17.715 0.011 14.329 1.00 71.42 C ATOM 1090 C GLN A 69 -18.743 0.797 13.520 1.00 65.41 C ATOM 1091 O GLN A 69 -19.797 0.273 13.159 1.00 43.23 O ATOM 1092 CB GLN A 69 -17.866 0.334 15.816 1.00 5.24 C ATOM 1093 CG GLN A 69 -19.264 0.081 16.355 1.00 10.12 C ATOM 1094 CD GLN A 69 -19.603 -1.395 16.429 1.00 71.31 C ATOM 1095 OE1 GLN A 69 -19.428 -2.034 17.466 1.00 24.15 O ATOM 1096 NE2 GLN A 69 -20.093 -1.945 15.324 1.00 71.22 N ATOM 0 H GLN A 69 -15.765 0.734 14.590 1.00 70.13 H new ATOM 0 HA GLN A 69 -17.894 -1.053 14.176 1.00 71.42 H new ATOM 0 HB2 GLN A 69 -17.153 -0.264 16.383 1.00 5.24 H new ATOM 0 HB3 GLN A 69 -17.606 1.380 15.980 1.00 5.24 H new ATOM 0 HG2 GLN A 69 -19.351 0.520 17.349 1.00 10.12 H new ATOM 0 HG3 GLN A 69 -19.991 0.585 15.719 1.00 10.12 H new ATOM 0 HE21 GLN A 69 -20.222 -1.378 14.486 1.00 71.22 H new ATOM 0 HE22 GLN A 69 -20.340 -2.934 15.313 1.00 71.22 H new ATOM 1105 N THR A 70 -18.427 2.057 13.238 1.00 53.22 N ATOM 1106 CA THR A 70 -19.322 2.916 12.473 1.00 73.23 C ATOM 1107 C THR A 70 -18.561 3.689 11.402 1.00 22.12 C ATOM 1108 O THR A 70 -18.647 4.915 11.328 1.00 33.44 O ATOM 1109 CB THR A 70 -20.059 3.915 13.386 1.00 61.20 C ATOM 1110 OG1 THR A 70 -19.137 4.508 14.307 1.00 65.33 O ATOM 1111 CG2 THR A 70 -21.176 3.225 14.152 1.00 72.31 C ATOM 0 H THR A 70 -17.558 2.505 13.528 1.00 53.22 H new ATOM 0 HA THR A 70 -20.053 2.264 11.995 1.00 73.23 H new ATOM 0 HB THR A 70 -20.497 4.692 12.759 1.00 61.20 H new ATOM 0 HG1 THR A 70 -19.612 5.143 14.883 1.00 65.33 H new ATOM 0 HG21 THR A 70 -21.682 3.950 14.790 1.00 72.31 H new ATOM 0 HG22 THR A 70 -21.891 2.800 13.448 1.00 72.31 H new ATOM 0 HG23 THR A 70 -20.757 2.430 14.768 1.00 72.31 H new ATOM 1119 N GLY A 71 -17.815 2.965 10.573 1.00 51.32 N ATOM 1120 CA GLY A 71 -17.050 3.600 9.517 1.00 42.24 C ATOM 1121 C GLY A 71 -17.661 3.382 8.146 1.00 5.44 C ATOM 1122 O GLY A 71 -18.051 2.267 7.804 1.00 63.55 O ATOM 0 H GLY A 71 -17.727 1.950 10.614 1.00 51.32 H new ATOM 0 HA2 GLY A 71 -16.982 4.670 9.715 1.00 42.24 H new ATOM 0 HA3 GLY A 71 -16.033 3.209 9.524 1.00 42.24 H new ATOM 1126 N SER A 72 -17.745 4.451 7.360 1.00 13.54 N ATOM 1127 CA SER A 72 -18.318 4.372 6.022 1.00 43.44 C ATOM 1128 C SER A 72 -17.492 3.449 5.131 1.00 13.54 C ATOM 1129 O SER A 72 -16.363 3.093 5.466 1.00 2.33 O ATOM 1130 CB SER A 72 -18.398 5.766 5.396 1.00 0.23 C ATOM 1131 OG SER A 72 -17.111 6.345 5.273 1.00 64.02 O ATOM 0 H SER A 72 -17.424 5.381 7.627 1.00 13.54 H new ATOM 0 HA SER A 72 -19.324 3.961 6.108 1.00 43.44 H new ATOM 0 HB2 SER A 72 -18.866 5.700 4.414 1.00 0.23 H new ATOM 0 HB3 SER A 72 -19.032 6.407 6.009 1.00 0.23 H new ATOM 0 HG SER A 72 -17.190 7.234 4.869 1.00 64.02 H new ATOM 1137 N GLU A 73 -18.065 3.065 3.995 1.00 70.12 N ATOM 1138 CA GLU A 73 -17.383 2.182 3.056 1.00 5.52 C ATOM 1139 C GLU A 73 -16.018 2.747 2.672 1.00 32.23 C ATOM 1140 O GLU A 73 -15.107 2.003 2.313 1.00 64.22 O ATOM 1141 CB GLU A 73 -18.234 1.980 1.801 1.00 33.04 C ATOM 1142 CG GLU A 73 -18.626 0.532 1.558 1.00 15.32 C ATOM 1143 CD GLU A 73 -19.760 0.394 0.562 1.00 72.14 C ATOM 1144 OE1 GLU A 73 -19.553 0.732 -0.623 1.00 2.50 O ATOM 1145 OE2 GLU A 73 -20.855 -0.051 0.964 1.00 31.14 O ATOM 0 H GLU A 73 -18.999 3.351 3.703 1.00 70.12 H new ATOM 0 HA GLU A 73 -17.235 1.219 3.545 1.00 5.52 H new ATOM 0 HB2 GLU A 73 -19.138 2.583 1.884 1.00 33.04 H new ATOM 0 HB3 GLU A 73 -17.683 2.349 0.936 1.00 33.04 H new ATOM 0 HG2 GLU A 73 -17.759 -0.019 1.194 1.00 15.32 H new ATOM 0 HG3 GLU A 73 -18.920 0.076 2.503 1.00 15.32 H new ATOM 1152 N GLU A 74 -15.886 4.067 2.752 1.00 54.51 N ATOM 1153 CA GLU A 74 -14.634 4.732 2.411 1.00 11.21 C ATOM 1154 C GLU A 74 -13.548 4.399 3.430 1.00 2.23 C ATOM 1155 O GLU A 74 -12.433 4.025 3.065 1.00 23.34 O ATOM 1156 CB GLU A 74 -14.837 6.247 2.341 1.00 11.15 C ATOM 1157 CG GLU A 74 -14.060 6.914 1.219 1.00 0.11 C ATOM 1158 CD GLU A 74 -14.965 7.501 0.153 1.00 25.32 C ATOM 1159 OE1 GLU A 74 -15.412 8.655 0.323 1.00 63.33 O ATOM 1160 OE2 GLU A 74 -15.226 6.806 -0.852 1.00 3.21 O ATOM 0 H GLU A 74 -16.631 4.697 3.050 1.00 54.51 H new ATOM 0 HA GLU A 74 -14.315 4.371 1.433 1.00 11.21 H new ATOM 0 HB2 GLU A 74 -15.899 6.457 2.211 1.00 11.15 H new ATOM 0 HB3 GLU A 74 -14.538 6.689 3.291 1.00 11.15 H new ATOM 0 HG2 GLU A 74 -13.434 7.704 1.635 1.00 0.11 H new ATOM 0 HG3 GLU A 74 -13.391 6.185 0.762 1.00 0.11 H new ATOM 1167 N LEU A 75 -13.881 4.540 4.709 1.00 62.22 N ATOM 1168 CA LEU A 75 -12.935 4.255 5.782 1.00 44.32 C ATOM 1169 C LEU A 75 -12.423 2.821 5.690 1.00 62.43 C ATOM 1170 O LEU A 75 -11.226 2.568 5.831 1.00 12.31 O ATOM 1171 CB LEU A 75 -13.592 4.488 7.143 1.00 24.30 C ATOM 1172 CG LEU A 75 -12.731 4.173 8.367 1.00 62.21 C ATOM 1173 CD1 LEU A 75 -13.052 5.128 9.505 1.00 31.44 C ATOM 1174 CD2 LEU A 75 -12.934 2.729 8.805 1.00 41.24 C ATOM 0 H LEU A 75 -14.799 4.850 5.028 1.00 62.22 H new ATOM 0 HA LEU A 75 -12.087 4.931 5.675 1.00 44.32 H new ATOM 0 HB2 LEU A 75 -13.902 5.531 7.201 1.00 24.30 H new ATOM 0 HB3 LEU A 75 -14.497 3.883 7.195 1.00 24.30 H new ATOM 0 HG LEU A 75 -11.684 4.305 8.095 1.00 62.21 H new ATOM 0 HD11 LEU A 75 -12.430 4.889 10.367 1.00 31.44 H new ATOM 0 HD12 LEU A 75 -12.854 6.152 9.188 1.00 31.44 H new ATOM 0 HD13 LEU A 75 -14.103 5.029 9.777 1.00 31.44 H new ATOM 0 HD21 LEU A 75 -12.314 2.523 9.677 1.00 41.24 H new ATOM 0 HD22 LEU A 75 -13.982 2.570 9.059 1.00 41.24 H new ATOM 0 HD23 LEU A 75 -12.652 2.059 7.993 1.00 41.24 H new ATOM 1186 N ARG A 76 -13.336 1.886 5.450 1.00 40.22 N ATOM 1187 CA ARG A 76 -12.977 0.478 5.339 1.00 71.32 C ATOM 1188 C ARG A 76 -11.923 0.270 4.256 1.00 61.40 C ATOM 1189 O ARG A 76 -10.970 -0.488 4.441 1.00 45.12 O ATOM 1190 CB ARG A 76 -14.216 -0.364 5.026 1.00 14.32 C ATOM 1191 CG ARG A 76 -14.951 -0.848 6.266 1.00 52.12 C ATOM 1192 CD ARG A 76 -16.207 -1.624 5.901 1.00 55.44 C ATOM 1193 NE ARG A 76 -15.896 -2.912 5.287 1.00 35.42 N ATOM 1194 CZ ARG A 76 -16.815 -3.718 4.765 1.00 21.14 C ATOM 1195 NH1 ARG A 76 -18.094 -3.369 4.781 1.00 65.21 N ATOM 1196 NH2 ARG A 76 -16.454 -4.875 4.224 1.00 10.43 N ATOM 0 H ARG A 76 -14.330 2.078 5.329 1.00 40.22 H new ATOM 0 HA ARG A 76 -12.561 0.159 6.295 1.00 71.32 H new ATOM 0 HB2 ARG A 76 -14.900 0.224 4.415 1.00 14.32 H new ATOM 0 HB3 ARG A 76 -13.918 -1.227 4.430 1.00 14.32 H new ATOM 0 HG2 ARG A 76 -14.290 -1.481 6.858 1.00 52.12 H new ATOM 0 HG3 ARG A 76 -15.218 0.006 6.889 1.00 52.12 H new ATOM 0 HD2 ARG A 76 -16.807 -1.785 6.797 1.00 55.44 H new ATOM 0 HD3 ARG A 76 -16.812 -1.032 5.214 1.00 55.44 H new ATOM 0 HE ARG A 76 -14.921 -3.209 5.257 1.00 35.42 H new ATOM 0 HH11 ARG A 76 -18.375 -2.480 5.195 1.00 65.21 H new ATOM 0 HH12 ARG A 76 -18.797 -3.990 4.380 1.00 65.21 H new ATOM 0 HH21 ARG A 76 -15.471 -5.146 4.209 1.00 10.43 H new ATOM 0 HH22 ARG A 76 -17.160 -5.493 3.824 1.00 10.43 H new ATOM 1210 N SER A 77 -12.101 0.947 3.126 1.00 25.14 N ATOM 1211 CA SER A 77 -11.167 0.834 2.012 1.00 23.53 C ATOM 1212 C SER A 77 -9.754 1.216 2.446 1.00 60.14 C ATOM 1213 O SER A 77 -8.771 0.635 1.983 1.00 41.23 O ATOM 1214 CB SER A 77 -11.615 1.722 0.850 1.00 4.55 C ATOM 1215 OG SER A 77 -12.795 1.221 0.249 1.00 33.11 O ATOM 0 H SER A 77 -12.883 1.579 2.958 1.00 25.14 H new ATOM 0 HA SER A 77 -11.158 -0.205 1.682 1.00 23.53 H new ATOM 0 HB2 SER A 77 -11.789 2.736 1.210 1.00 4.55 H new ATOM 0 HB3 SER A 77 -10.821 1.780 0.106 1.00 4.55 H new ATOM 0 HG SER A 77 -13.566 1.432 0.816 1.00 33.11 H new ATOM 1221 N LEU A 78 -9.661 2.197 3.336 1.00 61.24 N ATOM 1222 CA LEU A 78 -8.370 2.658 3.834 1.00 41.21 C ATOM 1223 C LEU A 78 -7.765 1.645 4.800 1.00 23.31 C ATOM 1224 O LEU A 78 -6.649 1.166 4.595 1.00 74.40 O ATOM 1225 CB LEU A 78 -8.523 4.013 4.527 1.00 42.05 C ATOM 1226 CG LEU A 78 -7.932 5.215 3.788 1.00 12.44 C ATOM 1227 CD1 LEU A 78 -6.491 4.941 3.390 1.00 64.25 C ATOM 1228 CD2 LEU A 78 -8.771 5.554 2.565 1.00 0.32 C ATOM 0 H LEU A 78 -10.464 2.689 3.728 1.00 61.24 H new ATOM 0 HA LEU A 78 -7.698 2.766 2.983 1.00 41.21 H new ATOM 0 HB2 LEU A 78 -9.585 4.198 4.689 1.00 42.05 H new ATOM 0 HB3 LEU A 78 -8.056 3.951 5.510 1.00 42.05 H new ATOM 0 HG LEU A 78 -7.944 6.073 4.460 1.00 12.44 H new ATOM 0 HD11 LEU A 78 -6.087 5.807 2.865 1.00 64.25 H new ATOM 0 HD12 LEU A 78 -5.897 4.749 4.283 1.00 64.25 H new ATOM 0 HD13 LEU A 78 -6.454 4.070 2.735 1.00 64.25 H new ATOM 0 HD21 LEU A 78 -8.336 6.411 2.052 1.00 0.32 H new ATOM 0 HD22 LEU A 78 -8.792 4.699 1.890 1.00 0.32 H new ATOM 0 HD23 LEU A 78 -9.787 5.795 2.876 1.00 0.32 H new ATOM 1240 N TYR A 79 -8.508 1.323 5.853 1.00 73.35 N ATOM 1241 CA TYR A 79 -8.046 0.366 6.851 1.00 4.34 C ATOM 1242 C TYR A 79 -7.458 -0.875 6.186 1.00 72.40 C ATOM 1243 O TYR A 79 -6.328 -1.268 6.468 1.00 22.11 O ATOM 1244 CB TYR A 79 -9.196 -0.033 7.777 1.00 43.13 C ATOM 1245 CG TYR A 79 -8.743 -0.735 9.037 1.00 0.25 C ATOM 1246 CD1 TYR A 79 -8.127 -0.030 10.065 1.00 10.51 C ATOM 1247 CD2 TYR A 79 -8.929 -2.102 9.201 1.00 1.24 C ATOM 1248 CE1 TYR A 79 -7.711 -0.667 11.218 1.00 44.22 C ATOM 1249 CE2 TYR A 79 -8.518 -2.746 10.352 1.00 45.14 C ATOM 1250 CZ TYR A 79 -7.909 -2.024 11.357 1.00 11.43 C ATOM 1251 OH TYR A 79 -7.496 -2.662 12.504 1.00 62.44 O ATOM 0 H TYR A 79 -9.433 1.711 6.037 1.00 73.35 H new ATOM 0 HA TYR A 79 -7.264 0.844 7.440 1.00 4.34 H new ATOM 0 HB2 TYR A 79 -9.758 0.860 8.051 1.00 43.13 H new ATOM 0 HB3 TYR A 79 -9.880 -0.685 7.233 1.00 43.13 H new ATOM 0 HD1 TYR A 79 -7.971 1.034 9.960 1.00 10.51 H new ATOM 0 HD2 TYR A 79 -9.403 -2.671 8.415 1.00 1.24 H new ATOM 0 HE1 TYR A 79 -7.233 -0.105 12.007 1.00 44.22 H new ATOM 0 HE2 TYR A 79 -8.673 -3.809 10.464 1.00 45.14 H new ATOM 0 HH TYR A 79 -7.711 -3.616 12.443 1.00 62.44 H new ATOM 1261 N ASN A 80 -8.237 -1.488 5.300 1.00 60.30 N ATOM 1262 CA ASN A 80 -7.796 -2.685 4.594 1.00 31.02 C ATOM 1263 C ASN A 80 -6.396 -2.493 4.019 1.00 44.24 C ATOM 1264 O ASN A 80 -5.444 -3.152 4.438 1.00 54.41 O ATOM 1265 CB ASN A 80 -8.777 -3.031 3.471 1.00 14.23 C ATOM 1266 CG ASN A 80 -9.739 -4.136 3.864 1.00 3.10 C ATOM 1267 OD1 ASN A 80 -9.816 -4.520 5.031 1.00 33.35 O ATOM 1268 ND2 ASN A 80 -10.477 -4.652 2.889 1.00 41.44 N ATOM 0 H ASN A 80 -9.176 -1.175 5.054 1.00 60.30 H new ATOM 0 HA ASN A 80 -7.767 -3.508 5.309 1.00 31.02 H new ATOM 0 HB2 ASN A 80 -9.343 -2.140 3.199 1.00 14.23 H new ATOM 0 HB3 ASN A 80 -8.219 -3.337 2.586 1.00 14.23 H new ATOM 0 HD21 ASN A 80 -11.142 -5.398 3.093 1.00 41.44 H new ATOM 0 HD22 ASN A 80 -10.379 -4.302 1.936 1.00 41.44 H new ATOM 1275 N THR A 81 -6.278 -1.583 3.056 1.00 64.51 N ATOM 1276 CA THR A 81 -4.995 -1.304 2.424 1.00 45.25 C ATOM 1277 C THR A 81 -3.924 -0.992 3.463 1.00 12.33 C ATOM 1278 O THR A 81 -2.871 -1.630 3.494 1.00 33.04 O ATOM 1279 CB THR A 81 -5.099 -0.122 1.440 1.00 15.21 C ATOM 1280 OG1 THR A 81 -6.187 -0.334 0.534 1.00 53.41 O ATOM 1281 CG2 THR A 81 -3.806 0.047 0.657 1.00 23.34 C ATOM 0 H THR A 81 -7.055 -1.028 2.698 1.00 64.51 H new ATOM 0 HA THR A 81 -4.712 -2.202 1.875 1.00 45.25 H new ATOM 0 HB THR A 81 -5.277 0.786 2.016 1.00 15.21 H new ATOM 0 HG1 THR A 81 -7.023 -0.043 0.953 1.00 53.41 H new ATOM 0 HG21 THR A 81 -3.904 0.887 -0.031 1.00 23.34 H new ATOM 0 HG22 THR A 81 -2.985 0.237 1.348 1.00 23.34 H new ATOM 0 HG23 THR A 81 -3.601 -0.862 0.092 1.00 23.34 H new ATOM 1289 N ILE A 82 -4.201 -0.009 4.313 1.00 3.23 N ATOM 1290 CA ILE A 82 -3.262 0.385 5.356 1.00 73.20 C ATOM 1291 C ILE A 82 -2.660 -0.835 6.044 1.00 60.41 C ATOM 1292 O ILE A 82 -1.446 -0.924 6.222 1.00 20.34 O ATOM 1293 CB ILE A 82 -3.938 1.276 6.415 1.00 1.11 C ATOM 1294 CG1 ILE A 82 -4.359 2.611 5.796 1.00 11.01 C ATOM 1295 CG2 ILE A 82 -3.001 1.505 7.591 1.00 63.20 C ATOM 1296 CD1 ILE A 82 -5.399 3.352 6.608 1.00 64.42 C ATOM 0 H ILE A 82 -5.068 0.529 4.300 1.00 3.23 H new ATOM 0 HA ILE A 82 -2.469 0.952 4.868 1.00 73.20 H new ATOM 0 HB ILE A 82 -4.830 0.768 6.780 1.00 1.11 H new ATOM 0 HG12 ILE A 82 -3.479 3.244 5.684 1.00 11.01 H new ATOM 0 HG13 ILE A 82 -4.752 2.431 4.795 1.00 11.01 H new ATOM 0 HG21 ILE A 82 -3.493 2.136 8.331 1.00 63.20 H new ATOM 0 HG22 ILE A 82 -2.745 0.547 8.044 1.00 63.20 H new ATOM 0 HG23 ILE A 82 -2.092 1.996 7.242 1.00 63.20 H new ATOM 0 HD11 ILE A 82 -5.650 4.289 6.110 1.00 64.42 H new ATOM 0 HD12 ILE A 82 -6.295 2.738 6.699 1.00 64.42 H new ATOM 0 HD13 ILE A 82 -5.002 3.564 7.601 1.00 64.42 H new ATOM 1308 N ALA A 83 -3.519 -1.774 6.428 1.00 64.32 N ATOM 1309 CA ALA A 83 -3.072 -2.993 7.093 1.00 2.41 C ATOM 1310 C ALA A 83 -2.196 -3.832 6.170 1.00 61.11 C ATOM 1311 O ALA A 83 -1.171 -4.370 6.590 1.00 13.54 O ATOM 1312 CB ALA A 83 -4.269 -3.803 7.569 1.00 22.22 C ATOM 0 H ALA A 83 -4.528 -1.714 6.290 1.00 64.32 H new ATOM 0 HA ALA A 83 -2.473 -2.708 7.958 1.00 2.41 H new ATOM 0 HB1 ALA A 83 -3.921 -4.710 8.063 1.00 22.22 H new ATOM 0 HB2 ALA A 83 -4.854 -3.209 8.271 1.00 22.22 H new ATOM 0 HB3 ALA A 83 -4.890 -4.071 6.714 1.00 22.22 H new ATOM 1318 N VAL A 84 -2.605 -3.940 4.910 1.00 23.53 N ATOM 1319 CA VAL A 84 -1.856 -4.714 3.927 1.00 34.40 C ATOM 1320 C VAL A 84 -0.490 -4.092 3.662 1.00 0.21 C ATOM 1321 O VAL A 84 0.471 -4.792 3.341 1.00 64.34 O ATOM 1322 CB VAL A 84 -2.624 -4.826 2.597 1.00 53.15 C ATOM 1323 CG1 VAL A 84 -1.961 -5.841 1.679 1.00 24.34 C ATOM 1324 CG2 VAL A 84 -4.078 -5.194 2.850 1.00 25.32 C ATOM 0 H VAL A 84 -3.451 -3.501 4.546 1.00 23.53 H new ATOM 0 HA VAL A 84 -1.722 -5.712 4.346 1.00 34.40 H new ATOM 0 HB VAL A 84 -2.599 -3.855 2.102 1.00 53.15 H new ATOM 0 HG11 VAL A 84 -2.519 -5.905 0.745 1.00 24.34 H new ATOM 0 HG12 VAL A 84 -0.938 -5.529 1.470 1.00 24.34 H new ATOM 0 HG13 VAL A 84 -1.951 -6.817 2.163 1.00 24.34 H new ATOM 0 HG21 VAL A 84 -4.605 -5.269 1.899 1.00 25.32 H new ATOM 0 HG22 VAL A 84 -4.126 -6.152 3.368 1.00 25.32 H new ATOM 0 HG23 VAL A 84 -4.546 -4.425 3.465 1.00 25.32 H new ATOM 1334 N LEU A 85 -0.410 -2.773 3.799 1.00 34.45 N ATOM 1335 CA LEU A 85 0.840 -2.055 3.575 1.00 14.12 C ATOM 1336 C LEU A 85 1.790 -2.235 4.754 1.00 12.32 C ATOM 1337 O LEU A 85 2.985 -2.464 4.572 1.00 44.23 O ATOM 1338 CB LEU A 85 0.562 -0.567 3.351 1.00 2.21 C ATOM 1339 CG LEU A 85 1.791 0.336 3.241 1.00 23.10 C ATOM 1340 CD1 LEU A 85 2.743 -0.186 2.176 1.00 60.44 C ATOM 1341 CD2 LEU A 85 1.376 1.767 2.932 1.00 33.24 C ATOM 0 H LEU A 85 -1.196 -2.179 4.064 1.00 34.45 H new ATOM 0 HA LEU A 85 1.314 -2.468 2.685 1.00 14.12 H new ATOM 0 HB2 LEU A 85 -0.025 -0.461 2.439 1.00 2.21 H new ATOM 0 HB3 LEU A 85 -0.057 -0.206 4.172 1.00 2.21 H new ATOM 0 HG LEU A 85 2.310 0.328 4.199 1.00 23.10 H new ATOM 0 HD11 LEU A 85 3.612 0.469 2.112 1.00 60.44 H new ATOM 0 HD12 LEU A 85 3.067 -1.193 2.439 1.00 60.44 H new ATOM 0 HD13 LEU A 85 2.234 -0.209 1.212 1.00 60.44 H new ATOM 0 HD21 LEU A 85 2.264 2.395 2.857 1.00 33.24 H new ATOM 0 HD22 LEU A 85 0.833 1.792 1.987 1.00 33.24 H new ATOM 0 HD23 LEU A 85 0.734 2.140 3.730 1.00 33.24 H new ATOM 1353 N TYR A 86 1.250 -2.132 5.963 1.00 12.00 N ATOM 1354 CA TYR A 86 2.050 -2.283 7.173 1.00 53.10 C ATOM 1355 C TYR A 86 2.949 -3.513 7.081 1.00 13.31 C ATOM 1356 O TYR A 86 4.125 -3.464 7.445 1.00 31.23 O ATOM 1357 CB TYR A 86 1.143 -2.391 8.400 1.00 33.22 C ATOM 1358 CG TYR A 86 1.871 -2.811 9.657 1.00 71.12 C ATOM 1359 CD1 TYR A 86 2.685 -1.918 10.343 1.00 63.24 C ATOM 1360 CD2 TYR A 86 1.743 -4.100 10.159 1.00 63.53 C ATOM 1361 CE1 TYR A 86 3.353 -2.297 11.490 1.00 34.42 C ATOM 1362 CE2 TYR A 86 2.407 -4.488 11.307 1.00 50.51 C ATOM 1363 CZ TYR A 86 3.210 -3.583 11.969 1.00 72.51 C ATOM 1364 OH TYR A 86 3.873 -3.965 13.113 1.00 11.43 O ATOM 0 H TYR A 86 0.262 -1.945 6.132 1.00 12.00 H new ATOM 0 HA TYR A 86 2.681 -1.400 7.273 1.00 53.10 H new ATOM 0 HB2 TYR A 86 0.664 -1.427 8.573 1.00 33.22 H new ATOM 0 HB3 TYR A 86 0.350 -3.109 8.193 1.00 33.22 H new ATOM 0 HD1 TYR A 86 2.797 -0.910 9.972 1.00 63.24 H new ATOM 0 HD2 TYR A 86 1.114 -4.811 9.643 1.00 63.53 H new ATOM 0 HE1 TYR A 86 3.984 -1.591 12.009 1.00 34.42 H new ATOM 0 HE2 TYR A 86 2.298 -5.494 11.684 1.00 50.51 H new ATOM 0 HH TYR A 86 3.664 -4.901 13.315 1.00 11.43 H new ATOM 1374 N CYS A 87 2.387 -4.613 6.593 1.00 0.20 N ATOM 1375 CA CYS A 87 3.136 -5.856 6.453 1.00 21.04 C ATOM 1376 C CYS A 87 4.185 -5.738 5.352 1.00 30.25 C ATOM 1377 O CYS A 87 5.286 -6.279 5.468 1.00 54.30 O ATOM 1378 CB CYS A 87 2.187 -7.016 6.147 1.00 3.33 C ATOM 1379 SG CYS A 87 1.476 -7.796 7.615 1.00 2.43 S ATOM 0 H CYS A 87 1.415 -4.669 6.288 1.00 0.20 H new ATOM 0 HA CYS A 87 3.646 -6.052 7.396 1.00 21.04 H new ATOM 0 HB2 CYS A 87 1.378 -6.652 5.514 1.00 3.33 H new ATOM 0 HB3 CYS A 87 2.726 -7.770 5.573 1.00 3.33 H new ATOM 0 HG CYS A 87 0.226 -8.077 7.395 1.00 2.43 H new ATOM 1385 N VAL A 88 3.837 -5.029 4.284 1.00 33.10 N ATOM 1386 CA VAL A 88 4.748 -4.840 3.161 1.00 5.33 C ATOM 1387 C VAL A 88 6.046 -4.179 3.612 1.00 71.01 C ATOM 1388 O VAL A 88 7.115 -4.446 3.063 1.00 23.51 O ATOM 1389 CB VAL A 88 4.105 -3.982 2.055 1.00 61.51 C ATOM 1390 CG1 VAL A 88 5.087 -3.761 0.913 1.00 15.45 C ATOM 1391 CG2 VAL A 88 2.827 -4.635 1.550 1.00 11.13 C ATOM 0 H VAL A 88 2.930 -4.575 4.172 1.00 33.10 H new ATOM 0 HA VAL A 88 4.967 -5.830 2.761 1.00 5.33 H new ATOM 0 HB VAL A 88 3.848 -3.010 2.476 1.00 61.51 H new ATOM 0 HG11 VAL A 88 4.616 -3.153 0.141 1.00 15.45 H new ATOM 0 HG12 VAL A 88 5.973 -3.248 1.289 1.00 15.45 H new ATOM 0 HG13 VAL A 88 5.377 -4.723 0.491 1.00 15.45 H new ATOM 0 HG21 VAL A 88 2.386 -4.016 0.769 1.00 11.13 H new ATOM 0 HG22 VAL A 88 3.057 -5.620 1.145 1.00 11.13 H new ATOM 0 HG23 VAL A 88 2.121 -4.738 2.374 1.00 11.13 H new ATOM 1401 N HIS A 89 5.945 -3.313 4.616 1.00 22.52 N ATOM 1402 CA HIS A 89 7.111 -2.614 5.144 1.00 51.41 C ATOM 1403 C HIS A 89 7.796 -3.440 6.228 1.00 20.34 C ATOM 1404 O HIS A 89 9.021 -3.361 6.311 1.00 43.40 O ATOM 1405 CB HIS A 89 6.704 -1.251 5.706 1.00 71.30 C ATOM 1406 CG HIS A 89 6.216 -0.294 4.662 1.00 50.01 C ATOM 1407 ND1 HIS A 89 6.813 -0.159 3.426 1.00 32.41 N ATOM 1408 CD2 HIS A 89 5.181 0.578 4.675 1.00 71.43 C ATOM 1409 CE1 HIS A 89 6.167 0.755 2.725 1.00 75.41 C ATOM 1410 NE2 HIS A 89 5.171 1.216 3.459 1.00 11.24 N ATOM 0 H HIS A 89 5.067 -3.079 5.080 1.00 22.52 H new ATOM 0 HA HIS A 89 7.816 -2.466 4.326 1.00 51.41 H new ATOM 0 HB2 HIS A 89 5.921 -1.393 6.451 1.00 71.30 H new ATOM 0 HB3 HIS A 89 7.557 -0.810 6.221 1.00 71.30 H new ATOM 0 HD2 HIS A 89 4.491 0.742 5.490 1.00 71.43 H new ATOM 0 HE1 HIS A 89 6.412 1.072 1.722 1.00 75.41 H new ATOM 0 HE2 HIS A 89 4.503 1.930 3.170 1.00 11.24 H new ATOM 1419 N GLN A 90 7.063 -4.204 7.033 1.00 65.11 N ATOM 1420 CA GLN A 90 7.673 -5.011 8.084 1.00 4.00 C ATOM 1421 C GLN A 90 8.236 -6.309 7.516 1.00 73.32 C ATOM 1422 O GLN A 90 8.750 -7.150 8.254 1.00 33.24 O ATOM 1423 CB GLN A 90 6.650 -5.319 9.178 1.00 31.21 C ATOM 1424 CG GLN A 90 7.079 -4.855 10.561 1.00 62.30 C ATOM 1425 CD GLN A 90 8.300 -5.595 11.072 1.00 44.35 C ATOM 1426 OE1 GLN A 90 9.359 -5.000 11.276 1.00 63.20 O ATOM 1427 NE2 GLN A 90 8.160 -6.898 11.280 1.00 14.20 N ATOM 0 H GLN A 90 6.047 -4.281 6.977 1.00 65.11 H new ATOM 0 HA GLN A 90 8.494 -4.439 8.516 1.00 4.00 H new ATOM 0 HB2 GLN A 90 5.703 -4.844 8.922 1.00 31.21 H new ATOM 0 HB3 GLN A 90 6.471 -6.394 9.204 1.00 31.21 H new ATOM 0 HG2 GLN A 90 7.292 -3.786 10.532 1.00 62.30 H new ATOM 0 HG3 GLN A 90 6.254 -4.996 11.260 1.00 62.30 H new ATOM 0 HE21 GLN A 90 7.264 -7.350 11.098 1.00 14.20 H new ATOM 0 HE22 GLN A 90 8.948 -7.447 11.622 1.00 14.20 H new ATOM 1436 N ARG A 91 8.135 -6.468 6.200 1.00 54.21 N ATOM 1437 CA ARG A 91 8.632 -7.665 5.534 1.00 71.11 C ATOM 1438 C ARG A 91 7.849 -8.898 5.976 1.00 10.24 C ATOM 1439 O ARG A 91 8.434 -9.914 6.354 1.00 62.41 O ATOM 1440 CB ARG A 91 10.120 -7.859 5.831 1.00 42.33 C ATOM 1441 CG ARG A 91 10.897 -8.472 4.677 1.00 54.53 C ATOM 1442 CD ARG A 91 11.798 -7.448 4.004 1.00 15.43 C ATOM 1443 NE ARG A 91 11.644 -7.452 2.552 1.00 13.11 N ATOM 1444 CZ ARG A 91 12.518 -6.899 1.719 1.00 70.02 C ATOM 1445 NH1 ARG A 91 13.602 -6.300 2.192 1.00 44.11 N ATOM 1446 NH2 ARG A 91 12.308 -6.944 0.409 1.00 11.33 N ATOM 0 H ARG A 91 7.713 -5.782 5.574 1.00 54.21 H new ATOM 0 HA ARG A 91 8.497 -7.536 4.460 1.00 71.11 H new ATOM 0 HB2 ARG A 91 10.560 -6.894 6.082 1.00 42.33 H new ATOM 0 HB3 ARG A 91 10.226 -8.496 6.709 1.00 42.33 H new ATOM 0 HG2 ARG A 91 11.500 -9.303 5.044 1.00 54.53 H new ATOM 0 HG3 ARG A 91 10.201 -8.882 3.945 1.00 54.53 H new ATOM 0 HD2 ARG A 91 11.569 -6.455 4.390 1.00 15.43 H new ATOM 0 HD3 ARG A 91 12.837 -7.657 4.259 1.00 15.43 H new ATOM 0 HE ARG A 91 10.820 -7.904 2.156 1.00 13.11 H new ATOM 0 HH11 ARG A 91 13.766 -6.263 3.198 1.00 44.11 H new ATOM 0 HH12 ARG A 91 14.272 -5.876 1.550 1.00 44.11 H new ATOM 0 HH21 ARG A 91 11.475 -7.404 0.042 1.00 11.33 H new ATOM 0 HH22 ARG A 91 12.980 -6.519 -0.230 1.00 11.33 H new ATOM 1460 N ILE A 92 6.524 -8.801 5.928 1.00 65.14 N ATOM 1461 CA ILE A 92 5.663 -9.908 6.323 1.00 52.15 C ATOM 1462 C ILE A 92 4.901 -10.466 5.126 1.00 44.34 C ATOM 1463 O ILE A 92 4.174 -9.741 4.447 1.00 10.33 O ATOM 1464 CB ILE A 92 4.654 -9.477 7.404 1.00 74.41 C ATOM 1465 CG1 ILE A 92 5.389 -8.933 8.630 1.00 34.22 C ATOM 1466 CG2 ILE A 92 3.761 -10.647 7.790 1.00 50.54 C ATOM 1467 CD1 ILE A 92 4.463 -8.394 9.699 1.00 44.25 C ATOM 0 H ILE A 92 6.024 -7.967 5.619 1.00 65.14 H new ATOM 0 HA ILE A 92 6.312 -10.683 6.731 1.00 52.15 H new ATOM 0 HB ILE A 92 4.026 -8.684 6.999 1.00 74.41 H new ATOM 0 HG12 ILE A 92 6.002 -9.726 9.058 1.00 34.22 H new ATOM 0 HG13 ILE A 92 6.068 -8.140 8.315 1.00 34.22 H new ATOM 0 HG21 ILE A 92 3.053 -10.328 8.555 1.00 50.54 H new ATOM 0 HG22 ILE A 92 3.215 -10.993 6.912 1.00 50.54 H new ATOM 0 HG23 ILE A 92 4.374 -11.460 8.180 1.00 50.54 H new ATOM 0 HD11 ILE A 92 5.052 -8.025 10.539 1.00 44.25 H new ATOM 0 HD12 ILE A 92 3.868 -7.579 9.287 1.00 44.25 H new ATOM 0 HD13 ILE A 92 3.801 -9.189 10.042 1.00 44.25 H new ATOM 1479 N ASP A 93 5.073 -11.759 4.873 1.00 43.33 N ATOM 1480 CA ASP A 93 4.399 -12.416 3.758 1.00 2.31 C ATOM 1481 C ASP A 93 2.998 -12.866 4.160 1.00 43.55 C ATOM 1482 O ASP A 93 2.826 -13.907 4.793 1.00 1.33 O ATOM 1483 CB ASP A 93 5.216 -13.617 3.277 1.00 14.55 C ATOM 1484 CG ASP A 93 4.830 -14.058 1.880 1.00 53.54 C ATOM 1485 OD1 ASP A 93 5.203 -13.360 0.913 1.00 43.13 O ATOM 1486 OD2 ASP A 93 4.154 -15.099 1.752 1.00 30.54 O ATOM 0 H ASP A 93 5.673 -12.373 5.424 1.00 43.33 H new ATOM 0 HA ASP A 93 4.311 -11.697 2.944 1.00 2.31 H new ATOM 0 HB2 ASP A 93 6.276 -13.362 3.294 1.00 14.55 H new ATOM 0 HB3 ASP A 93 5.077 -14.448 3.969 1.00 14.55 H new ATOM 1491 N VAL A 94 1.998 -12.072 3.787 1.00 31.22 N ATOM 1492 CA VAL A 94 0.612 -12.388 4.109 1.00 73.52 C ATOM 1493 C VAL A 94 -0.042 -13.193 2.991 1.00 61.34 C ATOM 1494 O VAL A 94 0.258 -12.997 1.813 1.00 44.35 O ATOM 1495 CB VAL A 94 -0.212 -11.111 4.356 1.00 32.31 C ATOM 1496 CG1 VAL A 94 0.427 -10.266 5.447 1.00 54.10 C ATOM 1497 CG2 VAL A 94 -0.358 -10.313 3.069 1.00 21.41 C ATOM 0 H VAL A 94 2.123 -11.206 3.262 1.00 31.22 H new ATOM 0 HA VAL A 94 0.627 -12.984 5.022 1.00 73.52 H new ATOM 0 HB VAL A 94 -1.208 -11.402 4.691 1.00 32.31 H new ATOM 0 HG11 VAL A 94 -0.169 -9.368 5.608 1.00 54.10 H new ATOM 0 HG12 VAL A 94 0.474 -10.841 6.372 1.00 54.10 H new ATOM 0 HG13 VAL A 94 1.435 -9.983 5.144 1.00 54.10 H new ATOM 0 HG21 VAL A 94 -0.943 -9.414 3.263 1.00 21.41 H new ATOM 0 HG22 VAL A 94 0.629 -10.031 2.702 1.00 21.41 H new ATOM 0 HG23 VAL A 94 -0.864 -10.921 2.319 1.00 21.41 H new ATOM 1507 N LYS A 95 -0.937 -14.100 3.367 1.00 65.24 N ATOM 1508 CA LYS A 95 -1.636 -14.934 2.396 1.00 23.21 C ATOM 1509 C LYS A 95 -2.779 -14.166 1.740 1.00 4.43 C ATOM 1510 O LYS A 95 -3.185 -14.474 0.621 1.00 72.34 O ATOM 1511 CB LYS A 95 -2.177 -16.196 3.073 1.00 4.01 C ATOM 1512 CG LYS A 95 -1.153 -17.312 3.184 1.00 2.05 C ATOM 1513 CD LYS A 95 -1.821 -18.665 3.366 1.00 11.43 C ATOM 1514 CE LYS A 95 -1.604 -19.210 4.769 1.00 64.02 C ATOM 1515 NZ LYS A 95 -2.649 -18.736 5.717 1.00 13.40 N ATOM 0 H LYS A 95 -1.196 -14.276 4.338 1.00 65.24 H new ATOM 0 HA LYS A 95 -0.924 -15.221 1.622 1.00 23.21 H new ATOM 0 HB2 LYS A 95 -2.532 -15.939 4.071 1.00 4.01 H new ATOM 0 HB3 LYS A 95 -3.038 -16.559 2.512 1.00 4.01 H new ATOM 0 HG2 LYS A 95 -0.533 -17.329 2.288 1.00 2.05 H new ATOM 0 HG3 LYS A 95 -0.490 -17.116 4.027 1.00 2.05 H new ATOM 0 HD2 LYS A 95 -2.890 -18.573 3.171 1.00 11.43 H new ATOM 0 HD3 LYS A 95 -1.423 -19.369 2.635 1.00 11.43 H new ATOM 0 HE2 LYS A 95 -1.608 -20.300 4.740 1.00 64.02 H new ATOM 0 HE3 LYS A 95 -0.622 -18.904 5.129 1.00 64.02 H new ATOM 0 HZ1 LYS A 95 -2.634 -19.325 6.574 1.00 13.40 H new ATOM 0 HZ2 LYS A 95 -2.461 -17.746 5.974 1.00 13.40 H new ATOM 0 HZ3 LYS A 95 -3.584 -18.805 5.266 1.00 13.40 H new ATOM 1529 N ASP A 96 -3.292 -13.164 2.446 1.00 54.43 N ATOM 1530 CA ASP A 96 -4.387 -12.349 1.931 1.00 53.01 C ATOM 1531 C ASP A 96 -4.678 -11.178 2.864 1.00 33.50 C ATOM 1532 O ASP A 96 -4.034 -11.021 3.902 1.00 61.12 O ATOM 1533 CB ASP A 96 -5.645 -13.201 1.754 1.00 24.23 C ATOM 1534 CG ASP A 96 -5.785 -14.258 2.832 1.00 62.01 C ATOM 1535 OD1 ASP A 96 -6.212 -13.910 3.953 1.00 44.04 O ATOM 1536 OD2 ASP A 96 -5.469 -15.434 2.554 1.00 60.11 O ATOM 0 H ASP A 96 -2.968 -12.897 3.375 1.00 54.43 H new ATOM 0 HA ASP A 96 -4.087 -11.952 0.961 1.00 53.01 H new ATOM 0 HB2 ASP A 96 -6.523 -12.555 1.767 1.00 24.23 H new ATOM 0 HB3 ASP A 96 -5.619 -13.684 0.777 1.00 24.23 H new ATOM 1541 N THR A 97 -5.653 -10.356 2.488 1.00 34.20 N ATOM 1542 CA THR A 97 -6.029 -9.198 3.289 1.00 23.13 C ATOM 1543 C THR A 97 -6.532 -9.621 4.665 1.00 24.52 C ATOM 1544 O THR A 97 -6.498 -8.841 5.617 1.00 73.14 O ATOM 1545 CB THR A 97 -7.117 -8.362 2.592 1.00 15.34 C ATOM 1546 OG1 THR A 97 -6.630 -7.869 1.340 1.00 51.15 O ATOM 1547 CG2 THR A 97 -7.548 -7.195 3.468 1.00 5.44 C ATOM 0 H THR A 97 -6.197 -10.471 1.633 1.00 34.20 H new ATOM 0 HA THR A 97 -5.132 -8.589 3.404 1.00 23.13 H new ATOM 0 HB THR A 97 -7.980 -9.004 2.418 1.00 15.34 H new ATOM 0 HG1 THR A 97 -6.509 -6.898 1.395 1.00 51.15 H new ATOM 0 HG21 THR A 97 -8.317 -6.619 2.954 1.00 5.44 H new ATOM 0 HG22 THR A 97 -7.946 -7.574 4.409 1.00 5.44 H new ATOM 0 HG23 THR A 97 -6.689 -6.555 3.669 1.00 5.44 H new ATOM 1555 N LYS A 98 -6.997 -10.862 4.764 1.00 53.01 N ATOM 1556 CA LYS A 98 -7.506 -11.390 6.025 1.00 71.24 C ATOM 1557 C LYS A 98 -6.360 -11.745 6.967 1.00 34.11 C ATOM 1558 O LYS A 98 -6.304 -11.263 8.098 1.00 42.31 O ATOM 1559 CB LYS A 98 -8.373 -12.626 5.770 1.00 40.23 C ATOM 1560 CG LYS A 98 -9.313 -12.954 6.917 1.00 73.45 C ATOM 1561 CD LYS A 98 -10.663 -13.435 6.410 1.00 50.32 C ATOM 1562 CE LYS A 98 -11.456 -14.128 7.507 1.00 23.20 C ATOM 1563 NZ LYS A 98 -12.918 -14.115 7.228 1.00 10.22 N ATOM 0 H LYS A 98 -7.032 -11.521 3.986 1.00 53.01 H new ATOM 0 HA LYS A 98 -8.114 -10.618 6.496 1.00 71.24 H new ATOM 0 HB2 LYS A 98 -8.959 -12.469 4.864 1.00 40.23 H new ATOM 0 HB3 LYS A 98 -7.725 -13.483 5.585 1.00 40.23 H new ATOM 0 HG2 LYS A 98 -8.865 -13.722 7.548 1.00 73.45 H new ATOM 0 HG3 LYS A 98 -9.451 -12.070 7.540 1.00 73.45 H new ATOM 0 HD2 LYS A 98 -11.232 -12.588 6.028 1.00 50.32 H new ATOM 0 HD3 LYS A 98 -10.516 -14.122 5.577 1.00 50.32 H new ATOM 0 HE2 LYS A 98 -11.115 -15.158 7.606 1.00 23.20 H new ATOM 0 HE3 LYS A 98 -11.264 -13.635 8.460 1.00 23.20 H new ATOM 0 HZ1 LYS A 98 -13.423 -14.597 7.999 1.00 10.22 H new ATOM 0 HZ2 LYS A 98 -13.249 -13.132 7.159 1.00 10.22 H new ATOM 0 HZ3 LYS A 98 -13.105 -14.607 6.331 1.00 10.22 H new ATOM 1577 N GLU A 99 -5.450 -12.589 6.493 1.00 31.44 N ATOM 1578 CA GLU A 99 -4.305 -13.007 7.295 1.00 11.35 C ATOM 1579 C GLU A 99 -3.531 -11.797 7.809 1.00 42.01 C ATOM 1580 O GLU A 99 -2.913 -11.848 8.872 1.00 41.51 O ATOM 1581 CB GLU A 99 -3.381 -13.908 6.475 1.00 61.11 C ATOM 1582 CG GLU A 99 -3.017 -15.207 7.175 1.00 14.22 C ATOM 1583 CD GLU A 99 -1.533 -15.511 7.106 1.00 74.10 C ATOM 1584 OE1 GLU A 99 -1.070 -15.968 6.039 1.00 2.44 O ATOM 1585 OE2 GLU A 99 -0.836 -15.292 8.118 1.00 23.32 O ATOM 0 H GLU A 99 -5.482 -12.997 5.559 1.00 31.44 H new ATOM 0 HA GLU A 99 -4.679 -13.568 8.152 1.00 11.35 H new ATOM 0 HB2 GLU A 99 -3.863 -14.140 5.525 1.00 61.11 H new ATOM 0 HB3 GLU A 99 -2.467 -13.362 6.243 1.00 61.11 H new ATOM 0 HG2 GLU A 99 -3.324 -15.151 8.219 1.00 14.22 H new ATOM 0 HG3 GLU A 99 -3.574 -16.028 6.722 1.00 14.22 H new ATOM 1592 N ALA A 100 -3.567 -10.711 7.045 1.00 52.33 N ATOM 1593 CA ALA A 100 -2.870 -9.487 7.422 1.00 25.31 C ATOM 1594 C ALA A 100 -3.617 -8.748 8.527 1.00 52.24 C ATOM 1595 O ALA A 100 -3.016 -8.291 9.499 1.00 23.24 O ATOM 1596 CB ALA A 100 -2.690 -8.586 6.209 1.00 54.13 C ATOM 0 H ALA A 100 -4.072 -10.653 6.160 1.00 52.33 H new ATOM 0 HA ALA A 100 -1.887 -9.762 7.805 1.00 25.31 H new ATOM 0 HB1 ALA A 100 -2.168 -7.676 6.506 1.00 54.13 H new ATOM 0 HB2 ALA A 100 -2.106 -9.108 5.451 1.00 54.13 H new ATOM 0 HB3 ALA A 100 -3.667 -8.327 5.800 1.00 54.13 H new ATOM 1602 N LEU A 101 -4.932 -8.632 8.370 1.00 24.51 N ATOM 1603 CA LEU A 101 -5.762 -7.947 9.355 1.00 41.11 C ATOM 1604 C LEU A 101 -5.684 -8.641 10.710 1.00 32.23 C ATOM 1605 O LEU A 101 -5.963 -8.037 11.746 1.00 12.20 O ATOM 1606 CB LEU A 101 -7.214 -7.895 8.878 1.00 51.31 C ATOM 1607 CG LEU A 101 -7.972 -6.600 9.175 1.00 3.34 C ATOM 1608 CD1 LEU A 101 -8.100 -6.390 10.676 1.00 30.13 C ATOM 1609 CD2 LEU A 101 -7.276 -5.413 8.527 1.00 44.31 C ATOM 0 H LEU A 101 -5.445 -9.003 7.571 1.00 24.51 H new ATOM 0 HA LEU A 101 -5.386 -6.930 9.467 1.00 41.11 H new ATOM 0 HB2 LEU A 101 -7.228 -8.062 7.801 1.00 51.31 H new ATOM 0 HB3 LEU A 101 -7.756 -8.723 9.336 1.00 51.31 H new ATOM 0 HG LEU A 101 -8.973 -6.683 8.753 1.00 3.34 H new ATOM 0 HD11 LEU A 101 -8.642 -5.464 10.869 1.00 30.13 H new ATOM 0 HD12 LEU A 101 -8.643 -7.227 11.115 1.00 30.13 H new ATOM 0 HD13 LEU A 101 -7.107 -6.329 11.121 1.00 30.13 H new ATOM 0 HD21 LEU A 101 -7.830 -4.501 8.749 1.00 44.31 H new ATOM 0 HD22 LEU A 101 -6.263 -5.327 8.919 1.00 44.31 H new ATOM 0 HD23 LEU A 101 -7.236 -5.559 7.448 1.00 44.31 H new ATOM 1621 N ASP A 102 -5.302 -9.914 10.696 1.00 1.23 N ATOM 1622 CA ASP A 102 -5.184 -10.690 11.925 1.00 74.13 C ATOM 1623 C ASP A 102 -3.758 -10.642 12.464 1.00 72.53 C ATOM 1624 O ASP A 102 -3.480 -9.966 13.455 1.00 31.41 O ATOM 1625 CB ASP A 102 -5.601 -12.141 11.678 1.00 25.32 C ATOM 1626 CG ASP A 102 -7.028 -12.416 12.109 1.00 51.42 C ATOM 1627 OD1 ASP A 102 -7.955 -11.865 11.477 1.00 1.02 O ATOM 1628 OD2 ASP A 102 -7.219 -13.180 13.077 1.00 73.13 O ATOM 0 H ASP A 102 -5.069 -10.430 9.847 1.00 1.23 H new ATOM 0 HA ASP A 102 -5.848 -10.250 12.669 1.00 74.13 H new ATOM 0 HB2 ASP A 102 -5.494 -12.371 10.618 1.00 25.32 H new ATOM 0 HB3 ASP A 102 -4.927 -12.806 12.218 1.00 25.32 H new ATOM 1633 N LYS A 103 -2.858 -11.363 11.806 1.00 61.42 N ATOM 1634 CA LYS A 103 -1.459 -11.404 12.217 1.00 34.21 C ATOM 1635 C LYS A 103 -1.003 -10.041 12.727 1.00 43.43 C ATOM 1636 O LYS A 103 -0.296 -9.949 13.731 1.00 0.24 O ATOM 1637 CB LYS A 103 -0.575 -11.846 11.048 1.00 14.44 C ATOM 1638 CG LYS A 103 -0.695 -13.324 10.721 1.00 71.32 C ATOM 1639 CD LYS A 103 -0.268 -14.192 11.892 1.00 14.23 C ATOM 1640 CE LYS A 103 0.250 -15.544 11.425 1.00 12.23 C ATOM 1641 NZ LYS A 103 1.585 -15.857 12.007 1.00 14.42 N ATOM 0 H LYS A 103 -3.072 -11.928 10.984 1.00 61.42 H new ATOM 0 HA LYS A 103 -1.365 -12.126 13.028 1.00 34.21 H new ATOM 0 HB2 LYS A 103 -0.838 -11.264 10.164 1.00 14.44 H new ATOM 0 HB3 LYS A 103 0.465 -11.617 11.283 1.00 14.44 H new ATOM 0 HG2 LYS A 103 -1.726 -13.555 10.453 1.00 71.32 H new ATOM 0 HG3 LYS A 103 -0.080 -13.556 9.852 1.00 71.32 H new ATOM 0 HD2 LYS A 103 0.508 -13.681 12.461 1.00 14.23 H new ATOM 0 HD3 LYS A 103 -1.113 -14.338 12.565 1.00 14.23 H new ATOM 0 HE2 LYS A 103 -0.460 -16.322 11.706 1.00 12.23 H new ATOM 0 HE3 LYS A 103 0.317 -15.551 10.337 1.00 12.23 H new ATOM 0 HZ1 LYS A 103 1.904 -16.786 11.665 1.00 14.42 H new ATOM 0 HZ2 LYS A 103 2.269 -15.129 11.718 1.00 14.42 H new ATOM 0 HZ3 LYS A 103 1.516 -15.875 13.045 1.00 14.42 H new