USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 54 SER OG : rot -110:sc= -0.172 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.453 X(o=-0.62,f=-0.82) USER MOD Set 2.1: A 29 TYR OH : rot 80:sc= 0.72 USER MOD Set 2.2: A 97 THR OG1 : rot -106:sc= 0.261 USER MOD Single : A 9 SER OG : rot 180:sc= -0.448 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.224 (180deg=-0.746) 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= 0.0215 K(o=0.022,f=-2.6) 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= -3.76! C(o=-3.8!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.879 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -64:sc= 0.338 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc=-0.000276 K(o=-0.00028,f=-0.82) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=-0.00394 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.771 USER MOD Single : A 80 ASN : amide:sc= -0.799 K(o=-0.8,f=0) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.343 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 170:sc= -0.348 USER MOD Single : A 89 HIS : no HD1:sc= -1.32! C(o=-0.89!,f=-7!) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.0146 (180deg=-0.167) 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 VAL A 7 8.740 5.361 -7.177 1.00 62.33 N ATOM 64 CA VAL A 7 8.190 5.851 -8.435 1.00 54.21 C ATOM 65 C VAL A 7 8.911 7.113 -8.897 1.00 40.23 C ATOM 66 O VAL A 7 9.484 7.150 -9.986 1.00 14.13 O ATOM 67 CB VAL A 7 6.684 6.150 -8.311 1.00 72.31 C ATOM 68 CG1 VAL A 7 6.122 6.623 -9.642 1.00 3.25 C ATOM 69 CG2 VAL A 7 5.937 4.923 -7.812 1.00 11.31 C ATOM 0 HA VAL A 7 8.337 5.062 -9.172 1.00 54.21 H new ATOM 0 HB VAL A 7 6.549 6.950 -7.583 1.00 72.31 H new ATOM 0 HG11 VAL A 7 5.057 6.829 -9.535 1.00 3.25 H new ATOM 0 HG12 VAL A 7 6.638 7.531 -9.953 1.00 3.25 H new ATOM 0 HG13 VAL A 7 6.267 5.848 -10.394 1.00 3.25 H new ATOM 0 HG21 VAL A 7 4.874 5.152 -7.730 1.00 11.31 H new ATOM 0 HG22 VAL A 7 6.078 4.101 -8.514 1.00 11.31 H new ATOM 0 HG23 VAL A 7 6.322 4.635 -6.834 1.00 11.31 H new ATOM 79 N LEU A 8 8.881 8.144 -8.060 1.00 13.04 N ATOM 80 CA LEU A 8 9.533 9.408 -8.382 1.00 64.31 C ATOM 81 C LEU A 8 10.888 9.514 -7.690 1.00 23.42 C ATOM 82 O LEU A 8 11.086 8.971 -6.603 1.00 72.31 O ATOM 83 CB LEU A 8 8.644 10.583 -7.968 1.00 62.35 C ATOM 84 CG LEU A 8 7.355 10.763 -8.770 1.00 31.41 C ATOM 85 CD1 LEU A 8 6.468 11.817 -8.124 1.00 61.10 C ATOM 86 CD2 LEU A 8 7.671 11.141 -10.210 1.00 0.50 C ATOM 0 H LEU A 8 8.413 8.129 -7.154 1.00 13.04 H new ATOM 0 HA LEU A 8 9.692 9.442 -9.460 1.00 64.31 H new ATOM 0 HB2 LEU A 8 8.381 10.461 -6.917 1.00 62.35 H new ATOM 0 HB3 LEU A 8 9.228 11.500 -8.046 1.00 62.35 H new ATOM 0 HG LEU A 8 6.817 9.815 -8.773 1.00 31.41 H new ATOM 0 HD11 LEU A 8 5.555 11.932 -8.708 1.00 61.10 H new ATOM 0 HD12 LEU A 8 6.214 11.507 -7.110 1.00 61.10 H new ATOM 0 HD13 LEU A 8 6.999 12.768 -8.090 1.00 61.10 H new ATOM 0 HD21 LEU A 8 6.742 11.265 -10.766 1.00 0.50 H new ATOM 0 HD22 LEU A 8 8.231 12.076 -10.226 1.00 0.50 H new ATOM 0 HD23 LEU A 8 8.267 10.353 -10.671 1.00 0.50 H new ATOM 98 N SER A 9 11.819 10.218 -8.327 1.00 75.33 N ATOM 99 CA SER A 9 13.157 10.393 -7.773 1.00 30.01 C ATOM 100 C SER A 9 13.186 11.550 -6.779 1.00 23.42 C ATOM 101 O SER A 9 12.166 12.187 -6.520 1.00 74.11 O ATOM 102 CB SER A 9 14.166 10.644 -8.895 1.00 24.32 C ATOM 103 OG SER A 9 14.424 12.029 -9.049 1.00 64.24 O ATOM 0 H SER A 9 11.671 10.676 -9.226 1.00 75.33 H new ATOM 0 HA SER A 9 13.429 9.478 -7.247 1.00 30.01 H new ATOM 0 HB2 SER A 9 15.096 10.120 -8.676 1.00 24.32 H new ATOM 0 HB3 SER A 9 13.783 10.236 -9.830 1.00 24.32 H new ATOM 0 HG SER A 9 15.073 12.163 -9.771 1.00 64.24 H new ATOM 109 N GLY A 10 14.365 11.817 -6.224 1.00 15.32 N ATOM 110 CA GLY A 10 14.507 12.897 -5.265 1.00 13.34 C ATOM 111 C GLY A 10 14.054 14.231 -5.823 1.00 74.31 C ATOM 112 O GLY A 10 13.316 14.967 -5.169 1.00 51.41 O ATOM 0 H GLY A 10 15.224 11.304 -6.422 1.00 15.32 H new ATOM 0 HA2 GLY A 10 13.927 12.664 -4.372 1.00 13.34 H new ATOM 0 HA3 GLY A 10 15.550 12.971 -4.957 1.00 13.34 H new ATOM 116 N GLY A 11 14.498 14.545 -7.036 1.00 5.04 N ATOM 117 CA GLY A 11 14.125 15.801 -7.661 1.00 42.34 C ATOM 118 C GLY A 11 12.670 15.828 -8.084 1.00 33.12 C ATOM 119 O GLY A 11 11.988 16.840 -7.919 1.00 4.55 O ATOM 0 H GLY A 11 15.109 13.952 -7.597 1.00 5.04 H new ATOM 0 HA2 GLY A 11 14.313 16.619 -6.966 1.00 42.34 H new ATOM 0 HA3 GLY A 11 14.757 15.971 -8.533 1.00 42.34 H new ATOM 123 N GLU A 12 12.193 14.715 -8.632 1.00 3.51 N ATOM 124 CA GLU A 12 10.810 14.617 -9.082 1.00 25.52 C ATOM 125 C GLU A 12 9.847 14.675 -7.900 1.00 3.12 C ATOM 126 O GLU A 12 8.749 15.221 -8.005 1.00 73.21 O ATOM 127 CB GLU A 12 10.596 13.320 -9.866 1.00 50.11 C ATOM 128 CG GLU A 12 11.699 13.025 -10.868 1.00 74.51 C ATOM 129 CD GLU A 12 11.408 11.800 -11.712 1.00 0.44 C ATOM 130 OE1 GLU A 12 11.579 10.673 -11.201 1.00 44.34 O ATOM 131 OE2 GLU A 12 11.008 11.966 -12.884 1.00 65.20 O ATOM 0 H GLU A 12 12.744 13.869 -8.775 1.00 3.51 H new ATOM 0 HA GLU A 12 10.607 15.466 -9.735 1.00 25.52 H new ATOM 0 HB2 GLU A 12 10.523 12.489 -9.164 1.00 50.11 H new ATOM 0 HB3 GLU A 12 9.644 13.377 -10.393 1.00 50.11 H new ATOM 0 HG2 GLU A 12 11.832 13.888 -11.521 1.00 74.51 H new ATOM 0 HG3 GLU A 12 12.639 12.880 -10.336 1.00 74.51 H new ATOM 138 N LEU A 13 10.267 14.107 -6.775 1.00 64.53 N ATOM 139 CA LEU A 13 9.444 14.094 -5.571 1.00 11.34 C ATOM 140 C LEU A 13 9.058 15.510 -5.159 1.00 74.04 C ATOM 141 O LEU A 13 7.890 15.791 -4.886 1.00 71.41 O ATOM 142 CB LEU A 13 10.188 13.402 -4.428 1.00 64.25 C ATOM 143 CG LEU A 13 9.352 13.050 -3.197 1.00 21.22 C ATOM 144 CD1 LEU A 13 8.284 12.028 -3.553 1.00 41.23 C ATOM 145 CD2 LEU A 13 10.242 12.528 -2.078 1.00 21.15 C ATOM 0 H LEU A 13 11.173 13.649 -6.672 1.00 64.53 H new ATOM 0 HA LEU A 13 8.532 13.539 -5.791 1.00 11.34 H new ATOM 0 HB2 LEU A 13 10.633 12.485 -4.814 1.00 64.25 H new ATOM 0 HB3 LEU A 13 11.008 14.047 -4.113 1.00 64.25 H new ATOM 0 HG LEU A 13 8.857 13.956 -2.846 1.00 21.22 H new ATOM 0 HD11 LEU A 13 7.699 11.789 -2.665 1.00 41.23 H new ATOM 0 HD12 LEU A 13 7.628 12.439 -4.320 1.00 41.23 H new ATOM 0 HD13 LEU A 13 8.759 11.122 -3.929 1.00 41.23 H new ATOM 0 HD21 LEU A 13 9.630 12.283 -1.210 1.00 21.15 H new ATOM 0 HD22 LEU A 13 10.766 11.634 -2.417 1.00 21.15 H new ATOM 0 HD23 LEU A 13 10.969 13.293 -1.804 1.00 21.15 H new ATOM 157 N ASP A 14 10.044 16.398 -5.118 1.00 33.24 N ATOM 158 CA ASP A 14 9.807 17.788 -4.743 1.00 3.42 C ATOM 159 C ASP A 14 8.661 18.382 -5.556 1.00 62.31 C ATOM 160 O ASP A 14 7.718 18.945 -5.000 1.00 1.23 O ATOM 161 CB ASP A 14 11.076 18.616 -4.945 1.00 63.30 C ATOM 162 CG ASP A 14 10.810 20.108 -4.885 1.00 15.52 C ATOM 163 OD1 ASP A 14 9.924 20.522 -4.108 1.00 63.15 O ATOM 164 OD2 ASP A 14 11.487 20.861 -5.615 1.00 51.02 O ATOM 0 H ASP A 14 11.016 16.181 -5.340 1.00 33.24 H new ATOM 0 HA ASP A 14 9.531 17.813 -3.689 1.00 3.42 H new ATOM 0 HB2 ASP A 14 11.806 18.349 -4.181 1.00 63.30 H new ATOM 0 HB3 ASP A 14 11.519 18.367 -5.909 1.00 63.30 H new ATOM 169 N LYS A 15 8.752 18.255 -6.876 1.00 73.34 N ATOM 170 CA LYS A 15 7.723 18.780 -7.767 1.00 1.40 C ATOM 171 C LYS A 15 6.360 18.181 -7.436 1.00 73.30 C ATOM 172 O LYS A 15 5.370 18.902 -7.307 1.00 42.44 O ATOM 173 CB LYS A 15 8.083 18.483 -9.224 1.00 12.45 C ATOM 174 CG LYS A 15 9.228 19.329 -9.753 1.00 12.21 C ATOM 175 CD LYS A 15 8.721 20.512 -10.558 1.00 21.51 C ATOM 176 CE LYS A 15 8.357 21.684 -9.659 1.00 71.25 C ATOM 177 NZ LYS A 15 8.197 22.947 -10.430 1.00 65.30 N ATOM 0 H LYS A 15 9.527 17.793 -7.352 1.00 73.34 H new ATOM 0 HA LYS A 15 7.669 19.859 -7.625 1.00 1.40 H new ATOM 0 HB2 LYS A 15 8.348 17.430 -9.316 1.00 12.45 H new ATOM 0 HB3 LYS A 15 7.204 18.646 -9.847 1.00 12.45 H new ATOM 0 HG2 LYS A 15 9.832 19.687 -8.919 1.00 12.21 H new ATOM 0 HG3 LYS A 15 9.877 18.715 -10.377 1.00 12.21 H new ATOM 0 HD2 LYS A 15 9.485 20.823 -11.271 1.00 21.51 H new ATOM 0 HD3 LYS A 15 7.848 20.212 -11.137 1.00 21.51 H new ATOM 0 HE2 LYS A 15 7.430 21.462 -9.130 1.00 71.25 H new ATOM 0 HE3 LYS A 15 9.131 21.816 -8.903 1.00 71.25 H new ATOM 0 HZ1 LYS A 15 8.254 23.759 -9.782 1.00 65.30 H new ATOM 0 HZ2 LYS A 15 8.953 23.018 -11.141 1.00 65.30 H new ATOM 0 HZ3 LYS A 15 7.272 22.948 -10.906 1.00 65.30 H new ATOM 191 N TRP A 16 6.316 16.860 -7.300 1.00 33.41 N ATOM 192 CA TRP A 16 5.074 16.166 -6.983 1.00 12.21 C ATOM 193 C TRP A 16 4.386 16.801 -5.779 1.00 64.51 C ATOM 194 O TRP A 16 3.234 17.224 -5.863 1.00 21.14 O ATOM 195 CB TRP A 16 5.348 14.687 -6.707 1.00 41.34 C ATOM 196 CG TRP A 16 4.116 13.910 -6.355 1.00 42.44 C ATOM 197 CD1 TRP A 16 3.729 13.508 -5.108 1.00 10.03 C ATOM 198 CD2 TRP A 16 3.112 13.438 -7.260 1.00 62.54 C ATOM 199 NE1 TRP A 16 2.544 12.815 -5.184 1.00 22.32 N ATOM 200 CE2 TRP A 16 2.144 12.760 -6.492 1.00 21.55 C ATOM 201 CE3 TRP A 16 2.934 13.526 -8.644 1.00 44.23 C ATOM 202 CZ2 TRP A 16 1.019 12.172 -7.065 1.00 20.31 C ATOM 203 CZ3 TRP A 16 1.817 12.942 -9.210 1.00 71.32 C ATOM 204 CH2 TRP A 16 0.871 12.273 -8.421 1.00 34.45 C ATOM 0 H TRP A 16 7.126 16.249 -7.404 1.00 33.41 H new ATOM 0 HA TRP A 16 4.410 16.251 -7.844 1.00 12.21 H new ATOM 0 HB2 TRP A 16 5.811 14.240 -7.587 1.00 41.34 H new ATOM 0 HB3 TRP A 16 6.066 14.604 -5.892 1.00 41.34 H new ATOM 0 HD1 TRP A 16 4.274 13.706 -4.197 1.00 10.03 H new ATOM 0 HE1 TRP A 16 2.044 12.408 -4.394 1.00 22.32 H new ATOM 0 HE3 TRP A 16 3.657 14.041 -9.260 1.00 44.23 H new ATOM 0 HZ2 TRP A 16 0.289 11.655 -6.460 1.00 20.31 H new ATOM 0 HZ3 TRP A 16 1.670 13.002 -10.278 1.00 71.32 H new ATOM 0 HH2 TRP A 16 0.008 11.828 -8.893 1.00 34.45 H new ATOM 215 N GLU A 17 5.102 16.864 -4.661 1.00 73.55 N ATOM 216 CA GLU A 17 4.558 17.449 -3.440 1.00 74.14 C ATOM 217 C GLU A 17 4.156 18.904 -3.664 1.00 63.01 C ATOM 218 O GLU A 17 3.358 19.463 -2.912 1.00 12.22 O ATOM 219 CB GLU A 17 5.582 17.360 -2.306 1.00 51.03 C ATOM 220 CG GLU A 17 5.747 15.959 -1.743 1.00 13.21 C ATOM 221 CD GLU A 17 6.408 15.952 -0.378 1.00 13.31 C ATOM 222 OE1 GLU A 17 5.681 16.041 0.633 1.00 42.15 O ATOM 223 OE2 GLU A 17 7.651 15.857 -0.322 1.00 23.30 O ATOM 0 H GLU A 17 6.058 16.518 -4.575 1.00 73.55 H new ATOM 0 HA GLU A 17 3.668 16.884 -3.163 1.00 74.14 H new ATOM 0 HB2 GLU A 17 6.547 17.712 -2.671 1.00 51.03 H new ATOM 0 HB3 GLU A 17 5.281 18.032 -1.502 1.00 51.03 H new ATOM 0 HG2 GLU A 17 4.769 15.483 -1.671 1.00 13.21 H new ATOM 0 HG3 GLU A 17 6.342 15.362 -2.434 1.00 13.21 H new ATOM 230 N LYS A 18 4.716 19.511 -4.704 1.00 25.41 N ATOM 231 CA LYS A 18 4.419 20.901 -5.031 1.00 72.03 C ATOM 232 C LYS A 18 3.005 21.038 -5.588 1.00 52.44 C ATOM 233 O LYS A 18 2.119 21.584 -4.930 1.00 13.21 O ATOM 234 CB LYS A 18 5.432 21.438 -6.044 1.00 51.42 C ATOM 235 CG LYS A 18 5.593 22.947 -6.002 1.00 14.15 C ATOM 236 CD LYS A 18 4.580 23.641 -6.898 1.00 2.42 C ATOM 237 CE LYS A 18 5.256 24.605 -7.862 1.00 52.44 C ATOM 238 NZ LYS A 18 4.284 25.560 -8.462 1.00 22.21 N ATOM 0 H LYS A 18 5.379 19.062 -5.336 1.00 25.41 H new ATOM 0 HA LYS A 18 4.489 21.486 -4.114 1.00 72.03 H new ATOM 0 HB2 LYS A 18 6.400 20.973 -5.859 1.00 51.42 H new ATOM 0 HB3 LYS A 18 5.123 21.142 -7.046 1.00 51.42 H new ATOM 0 HG2 LYS A 18 5.474 23.298 -4.977 1.00 14.15 H new ATOM 0 HG3 LYS A 18 6.602 23.215 -6.316 1.00 14.15 H new ATOM 0 HD2 LYS A 18 4.020 22.895 -7.461 1.00 2.42 H new ATOM 0 HD3 LYS A 18 3.861 24.183 -6.284 1.00 2.42 H new ATOM 0 HE2 LYS A 18 6.033 25.160 -7.336 1.00 52.44 H new ATOM 0 HE3 LYS A 18 5.748 24.041 -8.655 1.00 52.44 H new ATOM 0 HZ1 LYS A 18 4.783 26.200 -9.113 1.00 22.21 H new ATOM 0 HZ2 LYS A 18 3.557 25.032 -8.985 1.00 22.21 H new ATOM 0 HZ3 LYS A 18 3.833 26.116 -7.708 1.00 22.21 H new ATOM 252 N ILE A 19 2.802 20.538 -6.802 1.00 63.42 N ATOM 253 CA ILE A 19 1.496 20.602 -7.446 1.00 71.31 C ATOM 254 C ILE A 19 0.384 20.227 -6.472 1.00 61.43 C ATOM 255 O ILE A 19 0.570 19.379 -5.599 1.00 70.45 O ATOM 256 CB ILE A 19 1.425 19.673 -8.671 1.00 40.23 C ATOM 257 CG1 ILE A 19 2.536 20.017 -9.665 1.00 22.42 C ATOM 258 CG2 ILE A 19 0.061 19.775 -9.336 1.00 30.44 C ATOM 259 CD1 ILE A 19 3.123 18.808 -10.360 1.00 61.34 C ATOM 0 H ILE A 19 3.525 20.084 -7.360 1.00 63.42 H new ATOM 0 HA ILE A 19 1.357 21.632 -7.774 1.00 71.31 H new ATOM 0 HB ILE A 19 1.568 18.645 -8.337 1.00 40.23 H new ATOM 0 HG12 ILE A 19 2.141 20.701 -10.416 1.00 22.42 H new ATOM 0 HG13 ILE A 19 3.331 20.545 -9.139 1.00 22.42 H new ATOM 0 HG21 ILE A 19 0.027 19.112 -10.200 1.00 30.44 H new ATOM 0 HG22 ILE A 19 -0.713 19.485 -8.625 1.00 30.44 H new ATOM 0 HG23 ILE A 19 -0.110 20.802 -9.659 1.00 30.44 H new ATOM 0 HD11 ILE A 19 3.904 19.128 -11.049 1.00 61.34 H new ATOM 0 HD12 ILE A 19 3.549 18.133 -9.618 1.00 61.34 H new ATOM 0 HD13 ILE A 19 2.340 18.291 -10.914 1.00 61.34 H new ATOM 271 N ARG A 20 -0.772 20.863 -6.628 1.00 12.43 N ATOM 272 CA ARG A 20 -1.915 20.595 -5.764 1.00 52.32 C ATOM 273 C ARG A 20 -2.960 19.752 -6.488 1.00 11.11 C ATOM 274 O ARG A 20 -2.930 19.624 -7.713 1.00 23.35 O ATOM 275 CB ARG A 20 -2.542 21.907 -5.290 1.00 32.32 C ATOM 276 CG ARG A 20 -1.549 22.858 -4.640 1.00 12.24 C ATOM 277 CD ARG A 20 -2.172 24.218 -4.376 1.00 71.45 C ATOM 278 NE ARG A 20 -1.188 25.188 -3.900 1.00 12.12 N ATOM 279 CZ ARG A 20 -1.511 26.342 -3.326 1.00 23.44 C ATOM 280 NH1 ARG A 20 -2.785 26.669 -3.158 1.00 33.41 N ATOM 281 NH2 ARG A 20 -0.559 27.171 -2.920 1.00 62.20 N ATOM 0 H ARG A 20 -0.942 21.568 -7.345 1.00 12.43 H new ATOM 0 HA ARG A 20 -1.560 20.036 -4.898 1.00 52.32 H new ATOM 0 HB2 ARG A 20 -3.006 22.406 -6.141 1.00 32.32 H new ATOM 0 HB3 ARG A 20 -3.337 21.684 -4.579 1.00 32.32 H new ATOM 0 HG2 ARG A 20 -1.195 22.431 -3.702 1.00 12.24 H new ATOM 0 HG3 ARG A 20 -0.679 22.974 -5.286 1.00 12.24 H new ATOM 0 HD2 ARG A 20 -2.634 24.589 -5.291 1.00 71.45 H new ATOM 0 HD3 ARG A 20 -2.967 24.115 -3.637 1.00 71.45 H new ATOM 0 HE ARG A 20 -0.199 24.967 -4.015 1.00 12.12 H new ATOM 0 HH11 ARG A 20 -3.520 26.034 -3.470 1.00 33.41 H new ATOM 0 HH12 ARG A 20 -3.030 27.555 -2.717 1.00 33.41 H new ATOM 0 HH21 ARG A 20 0.422 26.923 -3.048 1.00 62.20 H new ATOM 0 HH22 ARG A 20 -0.808 28.057 -2.479 1.00 62.20 H new ATOM 295 N LEU A 21 -3.883 19.178 -5.725 1.00 71.22 N ATOM 296 CA LEU A 21 -4.938 18.346 -6.293 1.00 10.25 C ATOM 297 C LEU A 21 -6.019 19.205 -6.942 1.00 61.31 C ATOM 298 O LEU A 21 -6.522 18.881 -8.018 1.00 45.45 O ATOM 299 CB LEU A 21 -5.556 17.460 -5.211 1.00 63.23 C ATOM 300 CG LEU A 21 -4.584 16.570 -4.436 1.00 20.42 C ATOM 301 CD1 LEU A 21 -5.074 16.356 -3.012 1.00 12.03 C ATOM 302 CD2 LEU A 21 -4.402 15.236 -5.145 1.00 4.43 C ATOM 0 H LEU A 21 -3.922 19.273 -4.710 1.00 71.22 H new ATOM 0 HA LEU A 21 -4.493 17.713 -7.061 1.00 10.25 H new ATOM 0 HB2 LEU A 21 -6.077 18.100 -4.499 1.00 63.23 H new ATOM 0 HB3 LEU A 21 -6.308 16.823 -5.677 1.00 63.23 H new ATOM 0 HG LEU A 21 -3.617 17.072 -4.394 1.00 20.42 H new ATOM 0 HD11 LEU A 21 -4.369 15.720 -2.476 1.00 12.03 H new ATOM 0 HD12 LEU A 21 -5.152 17.318 -2.506 1.00 12.03 H new ATOM 0 HD13 LEU A 21 -6.052 15.876 -3.032 1.00 12.03 H new ATOM 0 HD21 LEU A 21 -3.707 14.615 -4.580 1.00 4.43 H new ATOM 0 HD22 LEU A 21 -5.364 14.729 -5.219 1.00 4.43 H new ATOM 0 HD23 LEU A 21 -4.004 15.407 -6.145 1.00 4.43 H new ATOM 314 N ARG A 22 -6.370 20.303 -6.281 1.00 64.40 N ATOM 315 CA ARG A 22 -7.389 21.210 -6.794 1.00 53.01 C ATOM 316 C ARG A 22 -6.785 22.566 -7.145 1.00 71.44 C ATOM 317 O ARG A 22 -5.745 22.965 -6.619 1.00 73.11 O ATOM 318 CB ARG A 22 -8.507 21.389 -5.764 1.00 61.42 C ATOM 319 CG ARG A 22 -9.726 20.521 -6.031 1.00 12.11 C ATOM 320 CD ARG A 22 -9.702 19.253 -5.192 1.00 23.34 C ATOM 321 NE ARG A 22 -10.444 18.165 -5.824 1.00 55.21 N ATOM 322 CZ ARG A 22 -10.292 16.887 -5.499 1.00 10.53 C ATOM 323 NH1 ARG A 22 -9.430 16.536 -4.555 1.00 63.32 N ATOM 324 NH2 ARG A 22 -11.005 15.954 -6.119 1.00 43.33 N ATOM 0 H ARG A 22 -5.964 20.586 -5.389 1.00 64.40 H new ATOM 0 HA ARG A 22 -7.805 20.772 -7.701 1.00 53.01 H new ATOM 0 HB2 ARG A 22 -8.117 21.158 -4.773 1.00 61.42 H new ATOM 0 HB3 ARG A 22 -8.812 22.435 -5.750 1.00 61.42 H new ATOM 0 HG2 ARG A 22 -10.632 21.086 -5.812 1.00 12.11 H new ATOM 0 HG3 ARG A 22 -9.762 20.258 -7.088 1.00 12.11 H new ATOM 0 HD2 ARG A 22 -8.669 18.943 -5.033 1.00 23.34 H new ATOM 0 HD3 ARG A 22 -10.128 19.460 -4.210 1.00 23.34 H new ATOM 0 HE ARG A 22 -11.116 18.400 -6.555 1.00 55.21 H new ATOM 0 HH11 ARG A 22 -8.881 17.249 -4.075 1.00 63.32 H new ATOM 0 HH12 ARG A 22 -9.316 15.553 -4.308 1.00 63.32 H new ATOM 0 HH21 ARG A 22 -11.670 16.219 -6.846 1.00 43.33 H new ATOM 0 HH22 ARG A 22 -10.888 14.972 -5.869 1.00 43.33 H new ATOM 338 N PRO A 23 -7.450 23.294 -8.055 1.00 41.14 N ATOM 339 CA PRO A 23 -6.997 24.617 -8.496 1.00 53.52 C ATOM 340 C PRO A 23 -7.139 25.672 -7.404 1.00 1.32 C ATOM 341 O PRO A 23 -6.242 26.487 -7.195 1.00 63.10 O ATOM 342 CB PRO A 23 -7.924 24.935 -9.672 1.00 53.24 C ATOM 343 CG PRO A 23 -9.155 24.137 -9.410 1.00 3.12 C ATOM 344 CD PRO A 23 -8.696 22.882 -8.721 1.00 14.41 C ATOM 0 HA PRO A 23 -5.939 24.620 -8.757 1.00 53.52 H new ATOM 0 HB2 PRO A 23 -8.147 26.001 -9.724 1.00 53.24 H new ATOM 0 HB3 PRO A 23 -7.467 24.658 -10.622 1.00 53.24 H new ATOM 0 HG2 PRO A 23 -9.854 24.692 -8.785 1.00 3.12 H new ATOM 0 HG3 PRO A 23 -9.674 23.904 -10.340 1.00 3.12 H new ATOM 0 HD2 PRO A 23 -9.435 22.524 -8.004 1.00 14.41 H new ATOM 0 HD3 PRO A 23 -8.523 22.074 -9.432 1.00 14.41 H new ATOM 352 N GLY A 24 -8.273 25.651 -6.710 1.00 44.22 N ATOM 353 CA GLY A 24 -8.511 26.611 -5.648 1.00 33.13 C ATOM 354 C GLY A 24 -8.483 25.973 -4.274 1.00 52.23 C ATOM 355 O GLY A 24 -9.282 26.320 -3.405 1.00 52.20 O ATOM 0 H GLY A 24 -9.031 24.986 -6.864 1.00 44.22 H new ATOM 0 HA2 GLY A 24 -7.756 27.396 -5.696 1.00 33.13 H new ATOM 0 HA3 GLY A 24 -9.478 27.089 -5.804 1.00 33.13 H new ATOM 359 N GLY A 25 -7.561 25.036 -4.075 1.00 12.42 N ATOM 360 CA GLY A 25 -7.451 24.362 -2.795 1.00 75.52 C ATOM 361 C GLY A 25 -6.197 24.754 -2.040 1.00 64.14 C ATOM 362 O GLY A 25 -5.448 25.629 -2.475 1.00 20.22 O ATOM 0 H GLY A 25 -6.888 24.732 -4.778 1.00 12.42 H new ATOM 0 HA2 GLY A 25 -8.325 24.597 -2.188 1.00 75.52 H new ATOM 0 HA3 GLY A 25 -7.454 23.284 -2.954 1.00 75.52 H new ATOM 366 N LYS A 26 -5.966 24.106 -0.902 1.00 22.12 N ATOM 367 CA LYS A 26 -4.794 24.391 -0.083 1.00 54.11 C ATOM 368 C LYS A 26 -4.003 23.117 0.195 1.00 3.43 C ATOM 369 O LYS A 26 -2.989 23.144 0.895 1.00 13.13 O ATOM 370 CB LYS A 26 -5.214 25.042 1.237 1.00 14.44 C ATOM 371 CG LYS A 26 -5.962 26.352 1.058 1.00 23.23 C ATOM 372 CD LYS A 26 -5.898 27.205 2.313 1.00 52.34 C ATOM 373 CE LYS A 26 -6.744 28.462 2.177 1.00 4.43 C ATOM 374 NZ LYS A 26 -7.290 28.908 3.488 1.00 33.14 N ATOM 0 H LYS A 26 -6.576 23.380 -0.527 1.00 22.12 H new ATOM 0 HA LYS A 26 -4.156 25.082 -0.634 1.00 54.11 H new ATOM 0 HB2 LYS A 26 -5.844 24.346 1.791 1.00 14.44 H new ATOM 0 HB3 LYS A 26 -4.326 25.220 1.843 1.00 14.44 H new ATOM 0 HG2 LYS A 26 -5.536 26.904 0.220 1.00 23.23 H new ATOM 0 HG3 LYS A 26 -7.003 26.147 0.809 1.00 23.23 H new ATOM 0 HD2 LYS A 26 -6.244 26.623 3.167 1.00 52.34 H new ATOM 0 HD3 LYS A 26 -4.863 27.482 2.514 1.00 52.34 H new ATOM 0 HE2 LYS A 26 -6.141 29.260 1.744 1.00 4.43 H new ATOM 0 HE3 LYS A 26 -7.566 28.273 1.487 1.00 4.43 H new ATOM 0 HZ1 LYS A 26 -7.860 29.767 3.352 1.00 33.14 H new ATOM 0 HZ2 LYS A 26 -7.886 28.156 3.890 1.00 33.14 H new ATOM 0 HZ3 LYS A 26 -6.505 29.113 4.139 1.00 33.14 H new ATOM 388 N LYS A 27 -4.469 22.003 -0.359 1.00 41.23 N ATOM 389 CA LYS A 27 -3.804 20.719 -0.173 1.00 61.30 C ATOM 390 C LYS A 27 -2.906 20.395 -1.363 1.00 53.24 C ATOM 391 O LYS A 27 -3.260 20.665 -2.510 1.00 42.31 O ATOM 392 CB LYS A 27 -4.838 19.608 0.017 1.00 33.03 C ATOM 393 CG LYS A 27 -4.732 18.899 1.356 1.00 62.13 C ATOM 394 CD LYS A 27 -6.100 18.517 1.896 1.00 40.11 C ATOM 395 CE LYS A 27 -6.632 19.568 2.859 1.00 45.45 C ATOM 396 NZ LYS A 27 -7.446 18.961 3.948 1.00 0.12 N ATOM 0 H LYS A 27 -5.306 21.964 -0.941 1.00 41.23 H new ATOM 0 HA LYS A 27 -3.184 20.785 0.721 1.00 61.30 H new ATOM 0 HB2 LYS A 27 -5.837 20.033 -0.081 1.00 33.03 H new ATOM 0 HB3 LYS A 27 -4.723 18.876 -0.782 1.00 33.03 H new ATOM 0 HG2 LYS A 27 -4.120 18.004 1.247 1.00 62.13 H new ATOM 0 HG3 LYS A 27 -4.225 19.546 2.072 1.00 62.13 H new ATOM 0 HD2 LYS A 27 -6.798 18.394 1.068 1.00 40.11 H new ATOM 0 HD3 LYS A 27 -6.036 17.555 2.404 1.00 40.11 H new ATOM 0 HE2 LYS A 27 -5.797 20.118 3.293 1.00 45.45 H new ATOM 0 HE3 LYS A 27 -7.239 20.289 2.311 1.00 45.45 H new ATOM 0 HZ1 LYS A 27 -7.790 19.710 4.583 1.00 0.12 H new ATOM 0 HZ2 LYS A 27 -8.257 18.457 3.536 1.00 0.12 H new ATOM 0 HZ3 LYS A 27 -6.860 18.292 4.487 1.00 0.12 H new ATOM 410 N GLN A 28 -1.744 19.812 -1.080 1.00 33.15 N ATOM 411 CA GLN A 28 -0.798 19.450 -2.128 1.00 22.32 C ATOM 412 C GLN A 28 -0.814 17.946 -2.381 1.00 62.30 C ATOM 413 O GLN A 28 -1.525 17.202 -1.707 1.00 51.42 O ATOM 414 CB GLN A 28 0.614 19.900 -1.747 1.00 61.54 C ATOM 415 CG GLN A 28 0.649 21.223 -0.998 1.00 41.42 C ATOM 416 CD GLN A 28 0.647 21.041 0.508 1.00 13.40 C ATOM 417 OE1 GLN A 28 -0.410 21.007 1.139 1.00 20.15 O ATOM 418 NE2 GLN A 28 1.833 20.922 1.092 1.00 33.02 N ATOM 0 H GLN A 28 -1.437 19.581 -0.135 1.00 33.15 H new ATOM 0 HA GLN A 28 -1.099 19.957 -3.045 1.00 22.32 H new ATOM 0 HB2 GLN A 28 1.078 19.130 -1.130 1.00 61.54 H new ATOM 0 HB3 GLN A 28 1.215 19.988 -2.652 1.00 61.54 H new ATOM 0 HG2 GLN A 28 1.539 21.779 -1.292 1.00 41.42 H new ATOM 0 HG3 GLN A 28 -0.213 21.824 -1.289 1.00 41.42 H new ATOM 0 HE21 GLN A 28 2.684 20.956 0.530 1.00 33.02 H new ATOM 0 HE22 GLN A 28 1.894 20.797 2.102 1.00 33.02 H new ATOM 427 N TYR A 29 -0.026 17.507 -3.356 1.00 71.01 N ATOM 428 CA TYR A 29 0.048 16.092 -3.700 1.00 64.32 C ATOM 429 C TYR A 29 0.935 15.338 -2.713 1.00 33.10 C ATOM 430 O TYR A 29 1.908 15.882 -2.192 1.00 3.41 O ATOM 431 CB TYR A 29 0.587 15.919 -5.120 1.00 11.13 C ATOM 432 CG TYR A 29 -0.486 15.615 -6.141 1.00 33.00 C ATOM 433 CD1 TYR A 29 -1.127 14.382 -6.159 1.00 61.15 C ATOM 434 CD2 TYR A 29 -0.859 16.560 -7.090 1.00 44.33 C ATOM 435 CE1 TYR A 29 -2.108 14.099 -7.089 1.00 34.44 C ATOM 436 CE2 TYR A 29 -1.839 16.286 -8.024 1.00 73.41 C ATOM 437 CZ TYR A 29 -2.460 15.054 -8.020 1.00 75.54 C ATOM 438 OH TYR A 29 -3.437 14.778 -8.949 1.00 61.32 O ATOM 0 H TYR A 29 0.570 18.110 -3.922 1.00 71.01 H new ATOM 0 HA TYR A 29 -0.959 15.678 -3.647 1.00 64.32 H new ATOM 0 HB2 TYR A 29 1.110 16.829 -5.415 1.00 11.13 H new ATOM 0 HB3 TYR A 29 1.321 15.113 -5.126 1.00 11.13 H new ATOM 0 HD1 TYR A 29 -0.853 13.631 -5.432 1.00 61.15 H new ATOM 0 HD2 TYR A 29 -0.374 17.525 -7.097 1.00 44.33 H new ATOM 0 HE1 TYR A 29 -2.597 13.136 -7.087 1.00 34.44 H new ATOM 0 HE2 TYR A 29 -2.118 17.032 -8.753 1.00 73.41 H new ATOM 0 HH TYR A 29 -4.320 14.887 -8.538 1.00 61.32 H new ATOM 448 N LYS A 30 0.589 14.079 -2.460 1.00 32.34 N ATOM 449 CA LYS A 30 1.351 13.247 -1.538 1.00 41.10 C ATOM 450 C LYS A 30 1.476 11.822 -2.067 1.00 13.22 C ATOM 451 O LYS A 30 0.775 11.433 -3.002 1.00 10.41 O ATOM 452 CB LYS A 30 0.685 13.234 -0.160 1.00 2.32 C ATOM 453 CG LYS A 30 1.534 13.862 0.931 1.00 52.04 C ATOM 454 CD LYS A 30 0.980 13.557 2.313 1.00 60.14 C ATOM 455 CE LYS A 30 2.073 13.083 3.259 1.00 71.44 C ATOM 456 NZ LYS A 30 1.527 12.704 4.592 1.00 42.33 N ATOM 0 H LYS A 30 -0.215 13.614 -2.882 1.00 32.34 H new ATOM 0 HA LYS A 30 2.351 13.671 -1.447 1.00 41.10 H new ATOM 0 HB2 LYS A 30 -0.265 13.764 -0.220 1.00 2.32 H new ATOM 0 HB3 LYS A 30 0.458 12.204 0.115 1.00 2.32 H new ATOM 0 HG2 LYS A 30 2.556 13.490 0.857 1.00 52.04 H new ATOM 0 HG3 LYS A 30 1.576 14.941 0.785 1.00 52.04 H new ATOM 0 HD2 LYS A 30 0.506 14.449 2.721 1.00 60.14 H new ATOM 0 HD3 LYS A 30 0.207 12.792 2.236 1.00 60.14 H new ATOM 0 HE2 LYS A 30 2.587 12.228 2.821 1.00 71.44 H new ATOM 0 HE3 LYS A 30 2.815 13.872 3.381 1.00 71.44 H new ATOM 0 HZ1 LYS A 30 2.303 12.387 5.207 1.00 42.33 H new ATOM 0 HZ2 LYS A 30 1.058 13.527 5.022 1.00 42.33 H new ATOM 0 HZ3 LYS A 30 0.838 11.933 4.479 1.00 42.33 H new ATOM 470 N LEU A 31 2.371 11.047 -1.464 1.00 31.14 N ATOM 471 CA LEU A 31 2.585 9.663 -1.874 1.00 65.40 C ATOM 472 C LEU A 31 1.268 8.898 -1.918 1.00 34.35 C ATOM 473 O LEU A 31 1.039 8.083 -2.813 1.00 64.20 O ATOM 474 CB LEU A 31 3.559 8.973 -0.917 1.00 74.32 C ATOM 475 CG LEU A 31 4.897 9.679 -0.696 1.00 1.41 C ATOM 476 CD1 LEU A 31 5.375 9.479 0.734 1.00 62.21 C ATOM 477 CD2 LEU A 31 5.938 9.170 -1.683 1.00 15.15 C ATOM 0 H LEU A 31 2.960 11.353 -0.690 1.00 31.14 H new ATOM 0 HA LEU A 31 3.013 9.668 -2.877 1.00 65.40 H new ATOM 0 HB2 LEU A 31 3.068 8.858 0.049 1.00 74.32 H new ATOM 0 HB3 LEU A 31 3.758 7.970 -1.294 1.00 74.32 H new ATOM 0 HG LEU A 31 4.755 10.746 -0.865 1.00 1.41 H new ATOM 0 HD11 LEU A 31 6.329 9.988 0.873 1.00 62.21 H new ATOM 0 HD12 LEU A 31 4.639 9.891 1.425 1.00 62.21 H new ATOM 0 HD13 LEU A 31 5.500 8.414 0.930 1.00 62.21 H new ATOM 0 HD21 LEU A 31 6.884 9.683 -1.511 1.00 15.15 H new ATOM 0 HD22 LEU A 31 6.077 8.098 -1.545 1.00 15.15 H new ATOM 0 HD23 LEU A 31 5.600 9.364 -2.701 1.00 15.15 H new ATOM 489 N LYS A 32 0.401 9.166 -0.948 1.00 53.34 N ATOM 490 CA LYS A 32 -0.897 8.505 -0.876 1.00 2.22 C ATOM 491 C LYS A 32 -1.572 8.482 -2.244 1.00 35.04 C ATOM 492 O LYS A 32 -2.284 7.536 -2.581 1.00 40.45 O ATOM 493 CB LYS A 32 -1.798 9.214 0.137 1.00 52.24 C ATOM 494 CG LYS A 32 -2.710 8.272 0.904 1.00 63.51 C ATOM 495 CD LYS A 32 -3.782 9.032 1.666 1.00 53.55 C ATOM 496 CE LYS A 32 -4.697 8.087 2.431 1.00 34.43 C ATOM 497 NZ LYS A 32 -6.102 8.159 1.941 1.00 14.01 N ATOM 0 H LYS A 32 0.574 9.837 -0.200 1.00 53.34 H new ATOM 0 HA LYS A 32 -0.736 7.477 -0.552 1.00 2.22 H new ATOM 0 HB2 LYS A 32 -1.175 9.760 0.845 1.00 52.24 H new ATOM 0 HB3 LYS A 32 -2.408 9.951 -0.385 1.00 52.24 H new ATOM 0 HG2 LYS A 32 -3.180 7.575 0.211 1.00 63.51 H new ATOM 0 HG3 LYS A 32 -2.118 7.678 1.601 1.00 63.51 H new ATOM 0 HD2 LYS A 32 -3.312 9.728 2.361 1.00 53.55 H new ATOM 0 HD3 LYS A 32 -4.372 9.628 0.970 1.00 53.55 H new ATOM 0 HE2 LYS A 32 -4.329 7.066 2.332 1.00 34.43 H new ATOM 0 HE3 LYS A 32 -4.669 8.334 3.492 1.00 34.43 H new ATOM 0 HZ1 LYS A 32 -6.694 7.501 2.487 1.00 14.01 H new ATOM 0 HZ2 LYS A 32 -6.462 9.128 2.059 1.00 14.01 H new ATOM 0 HZ3 LYS A 32 -6.132 7.899 0.935 1.00 14.01 H new ATOM 511 N HIS A 33 -1.343 9.529 -3.030 1.00 31.50 N ATOM 512 CA HIS A 33 -1.927 9.629 -4.363 1.00 63.51 C ATOM 513 C HIS A 33 -1.202 8.711 -5.343 1.00 41.24 C ATOM 514 O HIS A 33 -1.881 8.162 -6.211 1.00 52.41 O ATOM 515 CB HIS A 33 -1.870 11.074 -4.862 1.00 40.12 C ATOM 516 CG HIS A 33 -2.594 12.042 -3.978 1.00 13.22 C ATOM 517 ND1 HIS A 33 -1.956 13.038 -3.270 1.00 41.21 N ATOM 518 CD2 HIS A 33 -3.911 12.163 -3.691 1.00 74.25 C ATOM 519 CE1 HIS A 33 -2.849 13.728 -2.585 1.00 60.42 C ATOM 520 NE2 HIS A 33 -4.044 13.219 -2.824 1.00 53.41 N ATOM 0 H HIS A 33 -0.757 10.321 -2.767 1.00 31.50 H new ATOM 0 HA HIS A 33 -2.969 9.316 -4.301 1.00 63.51 H new ATOM 0 HB2 HIS A 33 -0.827 11.380 -4.945 1.00 40.12 H new ATOM 0 HB3 HIS A 33 -2.296 11.121 -5.864 1.00 40.12 H new ATOM 0 HD2 HIS A 33 -4.709 11.544 -4.073 1.00 74.25 H new ATOM 0 HE1 HIS A 33 -2.638 14.567 -1.938 1.00 60.42 H new ATOM 0 HE2 HIS A 33 -4.922 13.555 -2.429 1.00 53.41 H new ATOM 528 N ILE A 34 0.110 8.536 -5.232 1.00 64.40 N ATOM 529 CA ILE A 34 0.846 7.669 -6.144 1.00 53.42 C ATOM 530 C ILE A 34 0.662 6.201 -5.774 1.00 51.13 C ATOM 531 O ILE A 34 0.238 5.390 -6.597 1.00 23.11 O ATOM 532 CB ILE A 34 2.349 8.001 -6.149 1.00 51.11 C ATOM 533 CG1 ILE A 34 2.560 9.512 -6.270 1.00 13.10 C ATOM 534 CG2 ILE A 34 3.049 7.271 -7.284 1.00 23.04 C ATOM 535 CD1 ILE A 34 4.011 9.928 -6.188 1.00 62.24 C ATOM 0 H ILE A 34 0.686 8.983 -4.519 1.00 64.40 H new ATOM 0 HA ILE A 34 0.442 7.844 -7.141 1.00 53.42 H new ATOM 0 HB ILE A 34 2.782 7.667 -5.206 1.00 51.11 H new ATOM 0 HG12 ILE A 34 2.146 9.854 -7.219 1.00 13.10 H new ATOM 0 HG13 ILE A 34 2.002 10.013 -5.479 1.00 13.10 H new ATOM 0 HG21 ILE A 34 4.111 7.516 -7.274 1.00 23.04 H new ATOM 0 HG22 ILE A 34 2.924 6.196 -7.157 1.00 23.04 H new ATOM 0 HG23 ILE A 34 2.615 7.577 -8.236 1.00 23.04 H new ATOM 0 HD11 ILE A 34 4.085 11.012 -6.281 1.00 62.24 H new ATOM 0 HD12 ILE A 34 4.425 9.617 -5.229 1.00 62.24 H new ATOM 0 HD13 ILE A 34 4.571 9.456 -6.995 1.00 62.24 H new ATOM 547 N VAL A 35 0.981 5.866 -4.527 1.00 3.04 N ATOM 548 CA VAL A 35 0.850 4.496 -4.046 1.00 33.55 C ATOM 549 C VAL A 35 -0.504 3.907 -4.429 1.00 21.04 C ATOM 550 O VAL A 35 -0.606 2.725 -4.756 1.00 34.21 O ATOM 551 CB VAL A 35 1.015 4.420 -2.517 1.00 60.14 C ATOM 552 CG1 VAL A 35 0.865 2.986 -2.033 1.00 12.33 C ATOM 553 CG2 VAL A 35 2.360 4.995 -2.098 1.00 42.15 C ATOM 0 H VAL A 35 1.332 6.525 -3.832 1.00 3.04 H new ATOM 0 HA VAL A 35 1.643 3.917 -4.519 1.00 33.55 H new ATOM 0 HB VAL A 35 0.229 5.017 -2.054 1.00 60.14 H new ATOM 0 HG11 VAL A 35 0.985 2.953 -0.950 1.00 12.33 H new ATOM 0 HG12 VAL A 35 -0.124 2.613 -2.300 1.00 12.33 H new ATOM 0 HG13 VAL A 35 1.626 2.362 -2.501 1.00 12.33 H new ATOM 0 HG21 VAL A 35 2.460 4.934 -1.014 1.00 42.15 H new ATOM 0 HG22 VAL A 35 3.162 4.426 -2.569 1.00 42.15 H new ATOM 0 HG23 VAL A 35 2.423 6.038 -2.410 1.00 42.15 H new ATOM 563 N TRP A 36 -1.538 4.739 -4.388 1.00 30.34 N ATOM 564 CA TRP A 36 -2.885 4.301 -4.732 1.00 11.22 C ATOM 565 C TRP A 36 -2.956 3.849 -6.187 1.00 51.12 C ATOM 566 O TRP A 36 -3.437 2.756 -6.484 1.00 1.40 O ATOM 567 CB TRP A 36 -3.889 5.428 -4.486 1.00 22.23 C ATOM 568 CG TRP A 36 -5.301 5.050 -4.820 1.00 25.45 C ATOM 569 CD1 TRP A 36 -6.123 4.233 -4.099 1.00 11.14 C ATOM 570 CD2 TRP A 36 -6.054 5.475 -5.962 1.00 30.23 C ATOM 571 NE1 TRP A 36 -7.342 4.123 -4.724 1.00 20.31 N ATOM 572 CE2 TRP A 36 -7.325 4.877 -5.867 1.00 12.23 C ATOM 573 CE3 TRP A 36 -5.779 6.304 -7.053 1.00 72.21 C ATOM 574 CZ2 TRP A 36 -8.316 5.081 -6.824 1.00 54.23 C ATOM 575 CZ3 TRP A 36 -6.764 6.506 -8.001 1.00 41.42 C ATOM 576 CH2 TRP A 36 -8.020 5.897 -7.882 1.00 63.15 C ATOM 0 H TRP A 36 -1.469 5.721 -4.120 1.00 30.34 H new ATOM 0 HA TRP A 36 -3.138 3.453 -4.095 1.00 11.22 H new ATOM 0 HB2 TRP A 36 -3.839 5.728 -3.439 1.00 22.23 H new ATOM 0 HB3 TRP A 36 -3.603 6.296 -5.080 1.00 22.23 H new ATOM 0 HD1 TRP A 36 -5.855 3.745 -3.174 1.00 11.14 H new ATOM 0 HE1 TRP A 36 -8.131 3.570 -4.391 1.00 20.31 H new ATOM 0 HE3 TRP A 36 -4.814 6.778 -7.153 1.00 72.21 H new ATOM 0 HZ2 TRP A 36 -9.284 4.612 -6.734 1.00 54.23 H new ATOM 0 HZ3 TRP A 36 -6.562 7.144 -8.848 1.00 41.42 H new ATOM 0 HH2 TRP A 36 -8.769 6.075 -8.640 1.00 63.15 H new ATOM 587 N ALA A 37 -2.475 4.697 -7.090 1.00 41.24 N ATOM 588 CA ALA A 37 -2.482 4.383 -8.513 1.00 52.34 C ATOM 589 C ALA A 37 -1.713 3.096 -8.795 1.00 53.13 C ATOM 590 O ALA A 37 -2.149 2.264 -9.590 1.00 14.21 O ATOM 591 CB ALA A 37 -1.894 5.537 -9.311 1.00 63.32 C ATOM 0 H ALA A 37 -2.075 5.607 -6.861 1.00 41.24 H new ATOM 0 HA ALA A 37 -3.516 4.232 -8.822 1.00 52.34 H new ATOM 0 HB1 ALA A 37 -1.906 5.289 -10.372 1.00 63.32 H new ATOM 0 HB2 ALA A 37 -2.487 6.436 -9.142 1.00 63.32 H new ATOM 0 HB3 ALA A 37 -0.867 5.715 -8.991 1.00 63.32 H new ATOM 597 N SER A 38 -0.569 2.940 -8.138 1.00 5.11 N ATOM 598 CA SER A 38 0.262 1.756 -8.323 1.00 43.42 C ATOM 599 C SER A 38 -0.474 0.500 -7.871 1.00 12.43 C ATOM 600 O SER A 38 -0.336 -0.565 -8.475 1.00 73.31 O ATOM 601 CB SER A 38 1.572 1.900 -7.544 1.00 23.42 C ATOM 602 OG SER A 38 1.946 0.672 -6.943 1.00 32.54 O ATOM 0 H SER A 38 -0.196 3.618 -7.473 1.00 5.11 H new ATOM 0 HA SER A 38 0.487 1.663 -9.386 1.00 43.42 H new ATOM 0 HB2 SER A 38 2.363 2.236 -8.215 1.00 23.42 H new ATOM 0 HB3 SER A 38 1.460 2.665 -6.776 1.00 23.42 H new ATOM 0 HG SER A 38 2.786 0.790 -6.453 1.00 32.54 H new ATOM 608 N ARG A 39 -1.258 0.631 -6.805 1.00 3.21 N ATOM 609 CA ARG A 39 -2.016 -0.494 -6.272 1.00 75.52 C ATOM 610 C ARG A 39 -3.200 -0.829 -7.175 1.00 52.52 C ATOM 611 O ARG A 39 -3.815 -1.886 -7.040 1.00 11.52 O ATOM 612 CB ARG A 39 -2.513 -0.177 -4.860 1.00 41.13 C ATOM 613 CG ARG A 39 -1.426 -0.260 -3.799 1.00 11.43 C ATOM 614 CD ARG A 39 -1.995 -0.669 -2.450 1.00 73.34 C ATOM 615 NE ARG A 39 -3.080 0.212 -2.024 1.00 63.30 N ATOM 616 CZ ARG A 39 -3.762 0.046 -0.897 1.00 54.52 C ATOM 617 NH1 ARG A 39 -3.474 -0.963 -0.087 1.00 54.20 N ATOM 618 NH2 ARG A 39 -4.736 0.889 -0.578 1.00 20.24 N ATOM 0 H ARG A 39 -1.384 1.505 -6.294 1.00 3.21 H new ATOM 0 HA ARG A 39 -1.355 -1.359 -6.233 1.00 75.52 H new ATOM 0 HB2 ARG A 39 -2.942 0.825 -4.851 1.00 41.13 H new ATOM 0 HB3 ARG A 39 -3.315 -0.869 -4.602 1.00 41.13 H new ATOM 0 HG2 ARG A 39 -0.668 -0.979 -4.109 1.00 11.43 H new ATOM 0 HG3 ARG A 39 -0.930 0.706 -3.708 1.00 11.43 H new ATOM 0 HD2 ARG A 39 -2.361 -1.694 -2.507 1.00 73.34 H new ATOM 0 HD3 ARG A 39 -1.202 -0.655 -1.703 1.00 73.34 H new ATOM 0 HE ARG A 39 -3.327 0.998 -2.626 1.00 63.30 H new ATOM 0 HH11 ARG A 39 -2.727 -1.614 -0.329 1.00 54.20 H new ATOM 0 HH12 ARG A 39 -3.999 -1.088 0.778 1.00 54.20 H new ATOM 0 HH21 ARG A 39 -4.962 1.666 -1.199 1.00 20.24 H new ATOM 0 HH22 ARG A 39 -5.259 0.760 0.288 1.00 20.24 H new ATOM 632 N GLU A 40 -3.513 0.079 -8.093 1.00 72.22 N ATOM 633 CA GLU A 40 -4.624 -0.120 -9.016 1.00 4.13 C ATOM 634 C GLU A 40 -4.146 -0.776 -10.309 1.00 25.53 C ATOM 635 O GLU A 40 -4.803 -1.667 -10.847 1.00 61.20 O ATOM 636 CB GLU A 40 -5.302 1.215 -9.330 1.00 62.24 C ATOM 637 CG GLU A 40 -6.809 1.109 -9.491 1.00 20.45 C ATOM 638 CD GLU A 40 -7.225 0.842 -10.926 1.00 60.24 C ATOM 639 OE1 GLU A 40 -6.333 0.619 -11.770 1.00 1.43 O ATOM 640 OE2 GLU A 40 -8.443 0.857 -11.202 1.00 23.35 O ATOM 0 H GLU A 40 -3.013 0.959 -8.218 1.00 72.22 H new ATOM 0 HA GLU A 40 -5.346 -0.782 -8.537 1.00 4.13 H new ATOM 0 HB2 GLU A 40 -5.079 1.923 -8.531 1.00 62.24 H new ATOM 0 HB3 GLU A 40 -4.875 1.623 -10.246 1.00 62.24 H new ATOM 0 HG2 GLU A 40 -7.183 0.308 -8.853 1.00 20.45 H new ATOM 0 HG3 GLU A 40 -7.273 2.034 -9.148 1.00 20.45 H new ATOM 647 N LEU A 41 -2.997 -0.326 -10.804 1.00 52.13 N ATOM 648 CA LEU A 41 -2.430 -0.867 -12.034 1.00 63.13 C ATOM 649 C LEU A 41 -2.312 -2.386 -11.956 1.00 1.12 C ATOM 650 O LEU A 41 -2.586 -3.089 -12.929 1.00 12.11 O ATOM 651 CB LEU A 41 -1.055 -0.250 -12.299 1.00 40.25 C ATOM 652 CG LEU A 41 -1.054 1.127 -12.961 1.00 72.22 C ATOM 653 CD1 LEU A 41 0.369 1.641 -13.123 1.00 33.35 C ATOM 654 CD2 LEU A 41 -1.760 1.072 -14.308 1.00 44.00 C ATOM 0 H LEU A 41 -2.441 0.412 -10.372 1.00 52.13 H new ATOM 0 HA LEU A 41 -3.099 -0.614 -12.856 1.00 63.13 H new ATOM 0 HB2 LEU A 41 -0.524 -0.175 -11.350 1.00 40.25 H new ATOM 0 HB3 LEU A 41 -0.487 -0.934 -12.929 1.00 40.25 H new ATOM 0 HG LEU A 41 -1.597 1.819 -12.317 1.00 72.22 H new ATOM 0 HD11 LEU A 41 0.350 2.623 -13.596 1.00 33.35 H new ATOM 0 HD12 LEU A 41 0.841 1.719 -12.144 1.00 33.35 H new ATOM 0 HD13 LEU A 41 0.937 0.949 -13.745 1.00 33.35 H new ATOM 0 HD21 LEU A 41 -1.750 2.062 -14.765 1.00 44.00 H new ATOM 0 HD22 LEU A 41 -1.246 0.366 -14.960 1.00 44.00 H new ATOM 0 HD23 LEU A 41 -2.791 0.749 -14.165 1.00 44.00 H new ATOM 666 N GLU A 42 -1.904 -2.885 -10.793 1.00 21.24 N ATOM 667 CA GLU A 42 -1.752 -4.321 -10.591 1.00 72.14 C ATOM 668 C GLU A 42 -3.055 -5.054 -10.896 1.00 53.33 C ATOM 669 O GLU A 42 -3.046 -6.218 -11.298 1.00 61.11 O ATOM 670 CB GLU A 42 -1.314 -4.612 -9.154 1.00 74.14 C ATOM 671 CG GLU A 42 0.123 -5.091 -9.040 1.00 2.25 C ATOM 672 CD GLU A 42 0.809 -4.587 -7.785 1.00 10.43 C ATOM 673 OE1 GLU A 42 0.100 -4.136 -6.862 1.00 51.23 O ATOM 674 OE2 GLU A 42 2.055 -4.645 -7.727 1.00 21.04 O ATOM 0 H GLU A 42 -1.673 -2.317 -9.978 1.00 21.24 H new ATOM 0 HA GLU A 42 -0.985 -4.680 -11.277 1.00 72.14 H new ATOM 0 HB2 GLU A 42 -1.435 -3.709 -8.556 1.00 74.14 H new ATOM 0 HB3 GLU A 42 -1.975 -5.367 -8.728 1.00 74.14 H new ATOM 0 HG2 GLU A 42 0.140 -6.181 -9.046 1.00 2.25 H new ATOM 0 HG3 GLU A 42 0.683 -4.759 -9.914 1.00 2.25 H new ATOM 681 N ARG A 43 -4.175 -4.365 -10.699 1.00 31.04 N ATOM 682 CA ARG A 43 -5.486 -4.951 -10.951 1.00 14.35 C ATOM 683 C ARG A 43 -5.841 -4.872 -12.433 1.00 53.11 C ATOM 684 O ARG A 43 -6.728 -5.582 -12.909 1.00 72.20 O ATOM 685 CB ARG A 43 -6.555 -4.239 -10.121 1.00 61.55 C ATOM 686 CG ARG A 43 -7.499 -5.186 -9.400 1.00 54.33 C ATOM 687 CD ARG A 43 -8.626 -5.648 -10.311 1.00 73.13 C ATOM 688 NE ARG A 43 -9.898 -5.751 -9.599 1.00 44.31 N ATOM 689 CZ ARG A 43 -10.925 -6.473 -10.030 1.00 13.13 C ATOM 690 NH1 ARG A 43 -10.832 -7.153 -11.165 1.00 44.34 N ATOM 691 NH2 ARG A 43 -12.049 -6.517 -9.326 1.00 35.12 N ATOM 0 H ARG A 43 -4.200 -3.401 -10.366 1.00 31.04 H new ATOM 0 HA ARG A 43 -5.449 -6.001 -10.659 1.00 14.35 H new ATOM 0 HB2 ARG A 43 -6.066 -3.599 -9.387 1.00 61.55 H new ATOM 0 HB3 ARG A 43 -7.136 -3.588 -10.774 1.00 61.55 H new ATOM 0 HG2 ARG A 43 -6.943 -6.051 -9.039 1.00 54.33 H new ATOM 0 HG3 ARG A 43 -7.917 -4.689 -8.525 1.00 54.33 H new ATOM 0 HD2 ARG A 43 -8.731 -4.949 -11.141 1.00 73.13 H new ATOM 0 HD3 ARG A 43 -8.371 -6.617 -10.740 1.00 73.13 H new ATOM 0 HE ARG A 43 -10.002 -5.240 -8.722 1.00 44.31 H new ATOM 0 HH11 ARG A 43 -9.970 -7.122 -11.709 1.00 44.34 H new ATOM 0 HH12 ARG A 43 -11.623 -7.707 -11.494 1.00 44.34 H new ATOM 0 HH21 ARG A 43 -12.124 -5.996 -8.453 1.00 35.12 H new ATOM 0 HH22 ARG A 43 -12.838 -7.072 -9.658 1.00 35.12 H new ATOM 705 N PHE A 44 -5.145 -4.003 -13.158 1.00 10.31 N ATOM 706 CA PHE A 44 -5.387 -3.829 -14.585 1.00 34.24 C ATOM 707 C PHE A 44 -4.341 -4.573 -15.410 1.00 43.42 C ATOM 708 O PHE A 44 -4.101 -4.244 -16.571 1.00 73.34 O ATOM 709 CB PHE A 44 -5.378 -2.343 -14.949 1.00 4.41 C ATOM 710 CG PHE A 44 -6.718 -1.680 -14.799 1.00 3.11 C ATOM 711 CD1 PHE A 44 -7.342 -1.622 -13.564 1.00 43.02 C ATOM 712 CD2 PHE A 44 -7.352 -1.115 -15.893 1.00 12.42 C ATOM 713 CE1 PHE A 44 -8.575 -1.013 -13.423 1.00 4.30 C ATOM 714 CE2 PHE A 44 -8.585 -0.506 -15.759 1.00 33.34 C ATOM 715 CZ PHE A 44 -9.196 -0.453 -14.522 1.00 10.43 C ATOM 0 H PHE A 44 -4.408 -3.408 -12.780 1.00 10.31 H new ATOM 0 HA PHE A 44 -6.368 -4.246 -14.814 1.00 34.24 H new ATOM 0 HB2 PHE A 44 -4.654 -1.827 -14.318 1.00 4.41 H new ATOM 0 HB3 PHE A 44 -5.040 -2.232 -15.979 1.00 4.41 H new ATOM 0 HD1 PHE A 44 -6.860 -2.057 -12.701 1.00 43.02 H new ATOM 0 HD2 PHE A 44 -6.877 -1.151 -16.862 1.00 12.42 H new ATOM 0 HE1 PHE A 44 -9.052 -0.975 -12.455 1.00 4.30 H new ATOM 0 HE2 PHE A 44 -9.070 -0.072 -16.621 1.00 33.34 H new ATOM 0 HZ PHE A 44 -10.158 0.026 -14.414 1.00 10.43 H new ATOM 725 N ALA A 45 -3.719 -5.577 -14.799 1.00 74.21 N ATOM 726 CA ALA A 45 -2.699 -6.368 -15.476 1.00 13.33 C ATOM 727 C ALA A 45 -1.483 -5.517 -15.822 1.00 73.31 C ATOM 728 O ALA A 45 -0.784 -5.782 -16.800 1.00 35.31 O ATOM 729 CB ALA A 45 -3.274 -7.007 -16.732 1.00 61.42 C ATOM 0 H ALA A 45 -3.904 -5.861 -13.837 1.00 74.21 H new ATOM 0 HA ALA A 45 -2.375 -7.156 -14.796 1.00 13.33 H new ATOM 0 HB1 ALA A 45 -2.501 -7.595 -17.228 1.00 61.42 H new ATOM 0 HB2 ALA A 45 -4.106 -7.657 -16.461 1.00 61.42 H new ATOM 0 HB3 ALA A 45 -3.627 -6.228 -17.408 1.00 61.42 H new ATOM 735 N VAL A 46 -1.237 -4.490 -15.014 1.00 5.02 N ATOM 736 CA VAL A 46 -0.104 -3.599 -15.235 1.00 72.25 C ATOM 737 C VAL A 46 0.751 -3.474 -13.979 1.00 43.24 C ATOM 738 O VAL A 46 0.233 -3.271 -12.881 1.00 11.35 O ATOM 739 CB VAL A 46 -0.570 -2.195 -15.666 1.00 52.52 C ATOM 740 CG1 VAL A 46 0.623 -1.267 -15.841 1.00 54.13 C ATOM 741 CG2 VAL A 46 -1.385 -2.276 -16.947 1.00 13.03 C ATOM 0 H VAL A 46 -1.807 -4.255 -14.201 1.00 5.02 H new ATOM 0 HA VAL A 46 0.492 -4.038 -16.035 1.00 72.25 H new ATOM 0 HB VAL A 46 -1.207 -1.785 -14.882 1.00 52.52 H new ATOM 0 HG11 VAL A 46 0.275 -0.280 -16.146 1.00 54.13 H new ATOM 0 HG12 VAL A 46 1.163 -1.186 -14.897 1.00 54.13 H new ATOM 0 HG13 VAL A 46 1.288 -1.669 -16.606 1.00 54.13 H new ATOM 0 HG21 VAL A 46 -1.706 -1.276 -17.238 1.00 13.03 H new ATOM 0 HG22 VAL A 46 -0.774 -2.706 -17.741 1.00 13.03 H new ATOM 0 HG23 VAL A 46 -2.260 -2.905 -16.782 1.00 13.03 H new ATOM 751 N ASN A 47 2.064 -3.597 -14.148 1.00 11.31 N ATOM 752 CA ASN A 47 2.991 -3.499 -13.027 1.00 1.55 C ATOM 753 C ASN A 47 3.158 -2.048 -12.585 1.00 10.22 C ATOM 754 O ASN A 47 3.249 -1.131 -13.401 1.00 23.23 O ATOM 755 CB ASN A 47 4.350 -4.086 -13.410 1.00 45.51 C ATOM 756 CG ASN A 47 4.541 -5.495 -12.882 1.00 0.51 C ATOM 757 OD1 ASN A 47 5.503 -5.777 -12.166 1.00 55.00 O ATOM 758 ND2 ASN A 47 3.624 -6.388 -13.233 1.00 14.42 N ATOM 0 H ASN A 47 2.509 -3.765 -15.050 1.00 11.31 H new ATOM 0 HA ASN A 47 2.578 -4.069 -12.195 1.00 1.55 H new ATOM 0 HB2 ASN A 47 4.447 -4.091 -14.496 1.00 45.51 H new ATOM 0 HB3 ASN A 47 5.142 -3.445 -13.022 1.00 45.51 H new ATOM 0 HD21 ASN A 47 3.700 -7.352 -12.908 1.00 14.42 H new ATOM 0 HD22 ASN A 47 2.843 -6.110 -13.828 1.00 14.42 H new ATOM 765 N PRO A 48 3.200 -1.834 -11.262 1.00 70.12 N ATOM 766 CA PRO A 48 3.358 -0.498 -10.680 1.00 35.51 C ATOM 767 C PRO A 48 4.750 0.076 -10.916 1.00 70.51 C ATOM 768 O PRO A 48 5.013 1.239 -10.613 1.00 71.25 O ATOM 769 CB PRO A 48 3.121 -0.731 -9.186 1.00 55.01 C ATOM 770 CG PRO A 48 3.474 -2.161 -8.965 1.00 15.23 C ATOM 771 CD PRO A 48 3.097 -2.881 -10.230 1.00 64.11 C ATOM 0 HA PRO A 48 2.674 0.224 -11.126 1.00 35.51 H new ATOM 0 HB2 PRO A 48 3.742 -0.072 -8.579 1.00 55.01 H new ATOM 0 HB3 PRO A 48 2.084 -0.533 -8.914 1.00 55.01 H new ATOM 0 HG2 PRO A 48 4.538 -2.272 -8.755 1.00 15.23 H new ATOM 0 HG3 PRO A 48 2.936 -2.568 -8.109 1.00 15.23 H new ATOM 0 HD2 PRO A 48 3.770 -3.714 -10.434 1.00 64.11 H new ATOM 0 HD3 PRO A 48 2.089 -3.292 -10.173 1.00 64.11 H new ATOM 779 N GLY A 49 5.641 -0.747 -11.460 1.00 23.05 N ATOM 780 CA GLY A 49 6.996 -0.303 -11.728 1.00 31.34 C ATOM 781 C GLY A 49 7.101 0.500 -13.010 1.00 53.11 C ATOM 782 O GLY A 49 8.191 0.916 -13.403 1.00 32.33 O ATOM 0 H GLY A 49 5.448 -1.714 -11.720 1.00 23.05 H new ATOM 0 HA2 GLY A 49 7.348 0.303 -10.893 1.00 31.34 H new ATOM 0 HA3 GLY A 49 7.653 -1.170 -11.791 1.00 31.34 H new ATOM 786 N LEU A 50 5.965 0.716 -13.665 1.00 11.25 N ATOM 787 CA LEU A 50 5.933 1.472 -14.912 1.00 24.32 C ATOM 788 C LEU A 50 5.717 2.958 -14.642 1.00 24.04 C ATOM 789 O LEU A 50 6.201 3.812 -15.387 1.00 44.32 O ATOM 790 CB LEU A 50 4.827 0.942 -15.825 1.00 11.33 C ATOM 791 CG LEU A 50 4.891 -0.549 -16.161 1.00 74.33 C ATOM 792 CD1 LEU A 50 3.649 -0.977 -16.927 1.00 52.21 C ATOM 793 CD2 LEU A 50 6.147 -0.863 -16.959 1.00 1.21 C ATOM 0 H LEU A 50 5.054 0.378 -13.353 1.00 11.25 H new ATOM 0 HA LEU A 50 6.895 1.348 -15.408 1.00 24.32 H new ATOM 0 HB2 LEU A 50 3.865 1.147 -15.354 1.00 11.33 H new ATOM 0 HB3 LEU A 50 4.852 1.506 -16.758 1.00 11.33 H new ATOM 0 HG LEU A 50 4.929 -1.111 -15.228 1.00 74.33 H new ATOM 0 HD11 LEU A 50 3.712 -2.040 -17.157 1.00 52.21 H new ATOM 0 HD12 LEU A 50 2.764 -0.789 -16.319 1.00 52.21 H new ATOM 0 HD13 LEU A 50 3.579 -0.408 -17.854 1.00 52.21 H new ATOM 0 HD21 LEU A 50 6.175 -1.928 -17.189 1.00 1.21 H new ATOM 0 HD22 LEU A 50 6.141 -0.292 -17.887 1.00 1.21 H new ATOM 0 HD23 LEU A 50 7.027 -0.595 -16.374 1.00 1.21 H new ATOM 805 N LEU A 51 4.989 3.260 -13.573 1.00 1.02 N ATOM 806 CA LEU A 51 4.711 4.643 -13.202 1.00 34.45 C ATOM 807 C LEU A 51 5.991 5.366 -12.797 1.00 63.13 C ATOM 808 O LEU A 51 6.013 6.592 -12.682 1.00 0.24 O ATOM 809 CB LEU A 51 3.699 4.691 -12.057 1.00 40.42 C ATOM 810 CG LEU A 51 2.334 4.064 -12.339 1.00 34.24 C ATOM 811 CD1 LEU A 51 1.602 3.767 -11.040 1.00 64.44 C ATOM 812 CD2 LEU A 51 1.501 4.979 -13.225 1.00 33.11 C ATOM 0 H LEU A 51 4.580 2.566 -12.948 1.00 1.02 H new ATOM 0 HA LEU A 51 4.290 5.149 -14.071 1.00 34.45 H new ATOM 0 HB2 LEU A 51 4.135 4.190 -11.193 1.00 40.42 H new ATOM 0 HB3 LEU A 51 3.547 5.733 -11.777 1.00 40.42 H new ATOM 0 HG LEU A 51 2.491 3.123 -12.866 1.00 34.24 H new ATOM 0 HD11 LEU A 51 0.633 3.321 -11.262 1.00 64.44 H new ATOM 0 HD12 LEU A 51 2.192 3.073 -10.441 1.00 64.44 H new ATOM 0 HD13 LEU A 51 1.456 4.693 -10.484 1.00 64.44 H new ATOM 0 HD21 LEU A 51 0.532 4.517 -13.416 1.00 33.11 H new ATOM 0 HD22 LEU A 51 1.354 5.936 -12.724 1.00 33.11 H new ATOM 0 HD23 LEU A 51 2.019 5.140 -14.171 1.00 33.11 H new ATOM 824 N GLU A 52 7.055 4.600 -12.583 1.00 5.01 N ATOM 825 CA GLU A 52 8.339 5.169 -12.192 1.00 64.22 C ATOM 826 C GLU A 52 9.070 5.747 -13.401 1.00 72.25 C ATOM 827 O GLU A 52 9.950 6.597 -13.261 1.00 15.25 O ATOM 828 CB GLU A 52 9.210 4.106 -11.517 1.00 51.11 C ATOM 829 CG GLU A 52 9.892 3.166 -12.496 1.00 25.42 C ATOM 830 CD GLU A 52 10.312 1.858 -11.854 1.00 21.30 C ATOM 831 OE1 GLU A 52 9.990 1.650 -10.666 1.00 65.32 O ATOM 832 OE2 GLU A 52 10.964 1.044 -12.540 1.00 1.11 O ATOM 0 H GLU A 52 7.054 3.584 -12.674 1.00 5.01 H new ATOM 0 HA GLU A 52 8.148 5.976 -11.484 1.00 64.22 H new ATOM 0 HB2 GLU A 52 9.970 4.601 -10.913 1.00 51.11 H new ATOM 0 HB3 GLU A 52 8.592 3.521 -10.836 1.00 51.11 H new ATOM 0 HG2 GLU A 52 9.216 2.958 -13.325 1.00 25.42 H new ATOM 0 HG3 GLU A 52 10.769 3.659 -12.915 1.00 25.42 H new ATOM 839 N THR A 53 8.699 5.278 -14.589 1.00 62.35 N ATOM 840 CA THR A 53 9.319 5.746 -15.821 1.00 11.33 C ATOM 841 C THR A 53 8.296 6.421 -16.729 1.00 43.53 C ATOM 842 O THR A 53 7.205 5.897 -16.947 1.00 53.24 O ATOM 843 CB THR A 53 9.984 4.588 -16.590 1.00 71.12 C ATOM 844 OG1 THR A 53 9.043 3.992 -17.489 1.00 2.14 O ATOM 845 CG2 THR A 53 10.512 3.534 -15.629 1.00 4.41 C ATOM 0 H THR A 53 7.972 4.575 -14.723 1.00 62.35 H new ATOM 0 HA THR A 53 10.082 6.470 -15.536 1.00 11.33 H new ATOM 0 HB THR A 53 10.822 4.992 -17.158 1.00 71.12 H new ATOM 0 HG1 THR A 53 8.312 3.587 -16.977 1.00 2.14 H new ATOM 0 HG21 THR A 53 10.977 2.726 -16.194 1.00 4.41 H new ATOM 0 HG22 THR A 53 11.250 3.984 -14.965 1.00 4.41 H new ATOM 0 HG23 THR A 53 9.688 3.135 -15.038 1.00 4.41 H new ATOM 853 N SER A 54 8.658 7.587 -17.255 1.00 53.01 N ATOM 854 CA SER A 54 7.770 8.336 -18.137 1.00 43.32 C ATOM 855 C SER A 54 7.188 7.430 -19.217 1.00 13.45 C ATOM 856 O SER A 54 6.024 7.566 -19.594 1.00 0.44 O ATOM 857 CB SER A 54 8.522 9.501 -18.783 1.00 22.04 C ATOM 858 OG SER A 54 7.655 10.594 -19.029 1.00 42.02 O ATOM 0 H SER A 54 9.559 8.033 -17.086 1.00 53.01 H new ATOM 0 HA SER A 54 6.950 8.731 -17.537 1.00 43.32 H new ATOM 0 HB2 SER A 54 9.336 9.818 -18.131 1.00 22.04 H new ATOM 0 HB3 SER A 54 8.973 9.172 -19.719 1.00 22.04 H new ATOM 0 HG SER A 54 7.517 10.691 -19.994 1.00 42.02 H new ATOM 864 N GLU A 55 8.006 6.506 -19.712 1.00 52.33 N ATOM 865 CA GLU A 55 7.571 5.579 -20.749 1.00 4.54 C ATOM 866 C GLU A 55 6.377 4.754 -20.277 1.00 20.34 C ATOM 867 O GLU A 55 5.414 4.559 -21.017 1.00 0.34 O ATOM 868 CB GLU A 55 8.721 4.649 -21.148 1.00 23.51 C ATOM 869 CG GLU A 55 8.726 4.285 -22.623 1.00 24.00 C ATOM 870 CD GLU A 55 8.940 2.803 -22.857 1.00 41.11 C ATOM 871 OE1 GLU A 55 8.381 1.994 -22.086 1.00 21.12 O ATOM 872 OE2 GLU A 55 9.667 2.451 -23.809 1.00 52.32 O ATOM 0 H GLU A 55 8.973 6.380 -19.411 1.00 52.33 H new ATOM 0 HA GLU A 55 7.266 6.163 -21.617 1.00 4.54 H new ATOM 0 HB2 GLU A 55 9.668 5.128 -20.897 1.00 23.51 H new ATOM 0 HB3 GLU A 55 8.660 3.735 -20.557 1.00 23.51 H new ATOM 0 HG2 GLU A 55 7.779 4.587 -23.071 1.00 24.00 H new ATOM 0 HG3 GLU A 55 9.511 4.846 -23.129 1.00 24.00 H new ATOM 879 N GLY A 56 6.450 4.272 -19.040 1.00 32.52 N ATOM 880 CA GLY A 56 5.370 3.475 -18.491 1.00 54.22 C ATOM 881 C GLY A 56 4.048 4.218 -18.477 1.00 42.02 C ATOM 882 O GLY A 56 3.017 3.671 -18.869 1.00 34.33 O ATOM 0 H GLY A 56 7.238 4.420 -18.409 1.00 32.52 H new ATOM 0 HA2 GLY A 56 5.263 2.562 -19.076 1.00 54.22 H new ATOM 0 HA3 GLY A 56 5.625 3.175 -17.475 1.00 54.22 H new ATOM 886 N CYS A 57 4.079 5.465 -18.023 1.00 70.43 N ATOM 887 CA CYS A 57 2.874 6.285 -17.957 1.00 75.15 C ATOM 888 C CYS A 57 2.393 6.660 -19.355 1.00 5.53 C ATOM 889 O CYS A 57 1.198 6.612 -19.645 1.00 31.31 O ATOM 890 CB CYS A 57 3.136 7.550 -17.138 1.00 15.03 C ATOM 891 SG CYS A 57 2.758 7.383 -15.378 1.00 12.30 S ATOM 0 H CYS A 57 4.925 5.931 -17.695 1.00 70.43 H new ATOM 0 HA CYS A 57 2.094 5.701 -17.469 1.00 75.15 H new ATOM 0 HB2 CYS A 57 4.183 7.831 -17.248 1.00 15.03 H new ATOM 0 HB3 CYS A 57 2.542 8.366 -17.550 1.00 15.03 H new ATOM 0 HG CYS A 57 3.014 8.504 -14.771 1.00 12.30 H new ATOM 897 N ARG A 58 3.333 7.032 -20.218 1.00 72.25 N ATOM 898 CA ARG A 58 3.005 7.418 -21.585 1.00 51.30 C ATOM 899 C ARG A 58 2.094 6.383 -22.238 1.00 11.21 C ATOM 900 O ARG A 58 1.254 6.720 -23.071 1.00 34.33 O ATOM 901 CB ARG A 58 4.283 7.582 -22.411 1.00 13.10 C ATOM 902 CG ARG A 58 4.259 8.789 -23.335 1.00 21.11 C ATOM 903 CD ARG A 58 4.950 8.491 -24.657 1.00 63.52 C ATOM 904 NE ARG A 58 4.000 8.382 -25.759 1.00 20.11 N ATOM 905 CZ ARG A 58 4.306 7.866 -26.944 1.00 31.42 C ATOM 906 NH1 ARG A 58 5.529 7.414 -27.179 1.00 64.30 N ATOM 907 NH2 ARG A 58 3.385 7.801 -27.898 1.00 4.14 N ATOM 0 H ARG A 58 4.327 7.074 -19.995 1.00 72.25 H new ATOM 0 HA ARG A 58 2.477 8.371 -21.551 1.00 51.30 H new ATOM 0 HB2 ARG A 58 5.134 7.669 -21.735 1.00 13.10 H new ATOM 0 HB3 ARG A 58 4.439 6.682 -23.006 1.00 13.10 H new ATOM 0 HG2 ARG A 58 3.227 9.086 -23.521 1.00 21.11 H new ATOM 0 HG3 ARG A 58 4.750 9.632 -22.848 1.00 21.11 H new ATOM 0 HD2 ARG A 58 5.670 9.280 -24.876 1.00 63.52 H new ATOM 0 HD3 ARG A 58 5.513 7.561 -24.570 1.00 63.52 H new ATOM 0 HE ARG A 58 3.049 8.720 -25.611 1.00 20.11 H new ATOM 0 HH11 ARG A 58 6.239 7.462 -26.449 1.00 64.30 H new ATOM 0 HH12 ARG A 58 5.760 7.018 -28.090 1.00 64.30 H new ATOM 0 HH21 ARG A 58 2.442 8.147 -27.721 1.00 4.14 H new ATOM 0 HH22 ARG A 58 3.620 7.405 -28.808 1.00 4.14 H new ATOM 921 N GLN A 59 2.268 5.122 -21.854 1.00 62.04 N ATOM 922 CA GLN A 59 1.462 4.039 -22.404 1.00 42.13 C ATOM 923 C GLN A 59 0.145 3.902 -21.647 1.00 43.24 C ATOM 924 O GLN A 59 -0.893 3.602 -22.237 1.00 13.11 O ATOM 925 CB GLN A 59 2.236 2.720 -22.348 1.00 54.13 C ATOM 926 CG GLN A 59 2.926 2.364 -23.655 1.00 63.14 C ATOM 927 CD GLN A 59 2.803 0.893 -23.998 1.00 32.04 C ATOM 928 OE1 GLN A 59 1.822 0.467 -24.609 1.00 52.42 O ATOM 929 NE2 GLN A 59 3.799 0.107 -23.607 1.00 62.54 N ATOM 0 H GLN A 59 2.959 4.826 -21.165 1.00 62.04 H new ATOM 0 HA GLN A 59 1.239 4.278 -23.444 1.00 42.13 H new ATOM 0 HB2 GLN A 59 2.983 2.780 -21.557 1.00 54.13 H new ATOM 0 HB3 GLN A 59 1.550 1.917 -22.078 1.00 54.13 H new ATOM 0 HG2 GLN A 59 2.497 2.958 -24.462 1.00 63.14 H new ATOM 0 HG3 GLN A 59 3.981 2.631 -23.589 1.00 63.14 H new ATOM 0 HE21 GLN A 59 4.593 0.502 -23.103 1.00 62.54 H new ATOM 0 HE22 GLN A 59 3.770 -0.892 -23.811 1.00 62.54 H new ATOM 938 N ILE A 60 0.196 4.122 -20.336 1.00 31.04 N ATOM 939 CA ILE A 60 -0.994 4.024 -19.500 1.00 11.31 C ATOM 940 C ILE A 60 -2.007 5.106 -19.855 1.00 54.11 C ATOM 941 O ILE A 60 -3.161 4.812 -20.170 1.00 60.15 O ATOM 942 CB ILE A 60 -0.641 4.138 -18.005 1.00 2.32 C ATOM 943 CG1 ILE A 60 0.313 3.013 -17.596 1.00 1.24 C ATOM 944 CG2 ILE A 60 -1.904 4.101 -17.158 1.00 51.31 C ATOM 945 CD1 ILE A 60 1.192 3.365 -16.418 1.00 61.24 C ATOM 0 H ILE A 60 1.048 4.369 -19.832 1.00 31.04 H new ATOM 0 HA ILE A 60 -1.433 3.044 -19.689 1.00 11.31 H new ATOM 0 HB ILE A 60 -0.142 5.092 -17.837 1.00 2.32 H new ATOM 0 HG12 ILE A 60 -0.269 2.125 -17.352 1.00 1.24 H new ATOM 0 HG13 ILE A 60 0.945 2.756 -18.446 1.00 1.24 H new ATOM 0 HG21 ILE A 60 -1.638 4.183 -16.104 1.00 51.31 H new ATOM 0 HG22 ILE A 60 -2.552 4.933 -17.434 1.00 51.31 H new ATOM 0 HG23 ILE A 60 -2.429 3.161 -17.328 1.00 51.31 H new ATOM 0 HD11 ILE A 60 1.842 2.522 -16.184 1.00 61.24 H new ATOM 0 HD12 ILE A 60 1.801 4.234 -16.665 1.00 61.24 H new ATOM 0 HD13 ILE A 60 0.568 3.593 -15.554 1.00 61.24 H new ATOM 957 N LEU A 61 -1.569 6.359 -19.805 1.00 51.32 N ATOM 958 CA LEU A 61 -2.437 7.487 -20.123 1.00 13.20 C ATOM 959 C LEU A 61 -3.087 7.304 -21.492 1.00 52.35 C ATOM 960 O LEU A 61 -4.266 7.602 -21.674 1.00 74.00 O ATOM 961 CB LEU A 61 -1.640 8.793 -20.096 1.00 54.05 C ATOM 962 CG LEU A 61 -1.266 9.320 -18.709 1.00 12.13 C ATOM 963 CD1 LEU A 61 -0.137 10.334 -18.812 1.00 20.24 C ATOM 964 CD2 LEU A 61 -2.479 9.936 -18.027 1.00 1.21 C ATOM 0 H LEU A 61 -0.617 6.620 -19.547 1.00 51.32 H new ATOM 0 HA LEU A 61 -3.223 7.532 -19.370 1.00 13.20 H new ATOM 0 HB2 LEU A 61 -0.723 8.648 -20.668 1.00 54.05 H new ATOM 0 HB3 LEU A 61 -2.219 9.560 -20.611 1.00 54.05 H new ATOM 0 HG LEU A 61 -0.921 8.482 -18.103 1.00 12.13 H new ATOM 0 HD11 LEU A 61 0.116 10.699 -17.817 1.00 20.24 H new ATOM 0 HD12 LEU A 61 0.737 9.861 -19.259 1.00 20.24 H new ATOM 0 HD13 LEU A 61 -0.455 11.170 -19.435 1.00 20.24 H new ATOM 0 HD21 LEU A 61 -2.194 10.305 -17.042 1.00 1.21 H new ATOM 0 HD22 LEU A 61 -2.855 10.763 -18.630 1.00 1.21 H new ATOM 0 HD23 LEU A 61 -3.258 9.182 -17.920 1.00 1.21 H new ATOM 976 N GLY A 62 -2.310 6.809 -22.449 1.00 23.42 N ATOM 977 CA GLY A 62 -2.828 6.593 -23.788 1.00 43.34 C ATOM 978 C GLY A 62 -3.877 5.499 -23.834 1.00 62.31 C ATOM 979 O GLY A 62 -4.683 5.444 -24.761 1.00 11.21 O ATOM 0 H GLY A 62 -1.331 6.553 -22.322 1.00 23.42 H new ATOM 0 HA2 GLY A 62 -3.259 7.522 -24.162 1.00 43.34 H new ATOM 0 HA3 GLY A 62 -2.006 6.332 -24.455 1.00 43.34 H new ATOM 983 N GLN A 63 -3.865 4.628 -22.830 1.00 1.43 N ATOM 984 CA GLN A 63 -4.822 3.530 -22.762 1.00 24.31 C ATOM 985 C GLN A 63 -6.122 3.981 -22.107 1.00 75.52 C ATOM 986 O GLN A 63 -7.213 3.677 -22.592 1.00 21.43 O ATOM 987 CB GLN A 63 -4.226 2.354 -21.986 1.00 74.15 C ATOM 988 CG GLN A 63 -3.561 1.313 -22.872 1.00 33.23 C ATOM 989 CD GLN A 63 -2.608 0.418 -22.106 1.00 55.52 C ATOM 990 OE1 GLN A 63 -2.632 0.374 -20.876 1.00 62.43 O ATOM 991 NE2 GLN A 63 -1.762 -0.304 -22.832 1.00 55.24 N ATOM 0 H GLN A 63 -3.204 4.661 -22.054 1.00 1.43 H new ATOM 0 HA GLN A 63 -5.043 3.210 -23.780 1.00 24.31 H new ATOM 0 HB2 GLN A 63 -3.493 2.734 -21.274 1.00 74.15 H new ATOM 0 HB3 GLN A 63 -5.015 1.875 -21.407 1.00 74.15 H new ATOM 0 HG2 GLN A 63 -4.328 0.700 -23.345 1.00 33.23 H new ATOM 0 HG3 GLN A 63 -3.017 1.816 -23.672 1.00 33.23 H new ATOM 0 HE21 GLN A 63 -1.777 -0.236 -23.850 1.00 55.24 H new ATOM 0 HE22 GLN A 63 -1.097 -0.926 -22.372 1.00 55.24 H new ATOM 1000 N LEU A 64 -6.001 4.707 -21.001 1.00 74.21 N ATOM 1001 CA LEU A 64 -7.168 5.202 -20.278 1.00 51.43 C ATOM 1002 C LEU A 64 -7.845 6.333 -21.044 1.00 51.43 C ATOM 1003 O LEU A 64 -9.066 6.475 -21.006 1.00 33.41 O ATOM 1004 CB LEU A 64 -6.761 5.685 -18.885 1.00 72.33 C ATOM 1005 CG LEU A 64 -6.081 4.652 -17.987 1.00 44.52 C ATOM 1006 CD1 LEU A 64 -5.672 5.279 -16.664 1.00 75.34 C ATOM 1007 CD2 LEU A 64 -6.999 3.461 -17.753 1.00 1.34 C ATOM 0 H LEU A 64 -5.106 4.966 -20.585 1.00 74.21 H new ATOM 0 HA LEU A 64 -7.878 4.381 -20.178 1.00 51.43 H new ATOM 0 HB2 LEU A 64 -6.089 6.535 -19.000 1.00 72.33 H new ATOM 0 HB3 LEU A 64 -7.652 6.050 -18.374 1.00 72.33 H new ATOM 0 HG LEU A 64 -5.181 4.299 -18.491 1.00 44.52 H new ATOM 0 HD11 LEU A 64 -5.190 4.528 -16.039 1.00 75.34 H new ATOM 0 HD12 LEU A 64 -4.977 6.098 -16.849 1.00 75.34 H new ATOM 0 HD13 LEU A 64 -6.556 5.662 -16.154 1.00 75.34 H new ATOM 0 HD21 LEU A 64 -6.498 2.736 -17.112 1.00 1.34 H new ATOM 0 HD22 LEU A 64 -7.917 3.798 -17.272 1.00 1.34 H new ATOM 0 HD23 LEU A 64 -7.241 2.995 -18.708 1.00 1.34 H new ATOM 1019 N GLN A 65 -7.043 7.133 -21.740 1.00 52.41 N ATOM 1020 CA GLN A 65 -7.566 8.250 -22.516 1.00 72.24 C ATOM 1021 C GLN A 65 -8.802 7.833 -23.307 1.00 51.24 C ATOM 1022 O GLN A 65 -9.895 8.370 -23.126 1.00 53.32 O ATOM 1023 CB GLN A 65 -6.494 8.784 -23.467 1.00 1.23 C ATOM 1024 CG GLN A 65 -5.895 10.110 -23.027 1.00 53.21 C ATOM 1025 CD GLN A 65 -4.975 10.710 -24.071 1.00 23.24 C ATOM 1026 OE1 GLN A 65 -4.147 10.015 -24.660 1.00 15.44 O ATOM 1027 NE2 GLN A 65 -5.114 12.009 -24.308 1.00 60.44 N ATOM 0 H GLN A 65 -6.029 7.028 -21.782 1.00 52.41 H new ATOM 0 HA GLN A 65 -7.851 9.040 -21.821 1.00 72.24 H new ATOM 0 HB2 GLN A 65 -5.697 8.046 -23.553 1.00 1.23 H new ATOM 0 HB3 GLN A 65 -6.928 8.903 -24.460 1.00 1.23 H new ATOM 0 HG2 GLN A 65 -6.699 10.813 -22.810 1.00 53.21 H new ATOM 0 HG3 GLN A 65 -5.340 9.964 -22.100 1.00 53.21 H new ATOM 0 HE21 GLN A 65 -5.813 12.549 -23.797 1.00 60.44 H new ATOM 0 HE22 GLN A 65 -4.522 12.467 -25.001 1.00 60.44 H new ATOM 1036 N PRO A 66 -8.627 6.853 -24.205 1.00 22.01 N ATOM 1037 CA PRO A 66 -9.717 6.342 -25.042 1.00 42.44 C ATOM 1038 C PRO A 66 -10.745 5.554 -24.236 1.00 4.14 C ATOM 1039 O PRO A 66 -11.824 5.233 -24.734 1.00 2.21 O ATOM 1040 CB PRO A 66 -9.001 5.426 -26.038 1.00 45.54 C ATOM 1041 CG PRO A 66 -7.756 5.004 -25.336 1.00 55.34 C ATOM 1042 CD PRO A 66 -7.352 6.168 -24.475 1.00 63.13 C ATOM 0 HA PRO A 66 -10.281 7.147 -25.513 1.00 42.44 H new ATOM 0 HB2 PRO A 66 -9.618 4.567 -26.300 1.00 45.54 H new ATOM 0 HB3 PRO A 66 -8.774 5.951 -26.966 1.00 45.54 H new ATOM 0 HG2 PRO A 66 -7.931 4.114 -24.732 1.00 55.34 H new ATOM 0 HG3 PRO A 66 -6.971 4.755 -26.050 1.00 55.34 H new ATOM 0 HD2 PRO A 66 -6.870 5.838 -23.554 1.00 63.13 H new ATOM 0 HD3 PRO A 66 -6.646 6.821 -24.988 1.00 63.13 H new ATOM 1050 N SER A 67 -10.403 5.245 -22.990 1.00 42.15 N ATOM 1051 CA SER A 67 -11.295 4.491 -22.116 1.00 2.55 C ATOM 1052 C SER A 67 -12.091 5.428 -21.214 1.00 53.12 C ATOM 1053 O SER A 67 -12.995 4.998 -20.496 1.00 2.33 O ATOM 1054 CB SER A 67 -10.495 3.503 -21.266 1.00 2.22 C ATOM 1055 OG SER A 67 -11.191 2.277 -21.118 1.00 61.23 O ATOM 0 H SER A 67 -9.514 5.505 -22.562 1.00 42.15 H new ATOM 0 HA SER A 67 -11.994 3.937 -22.742 1.00 2.55 H new ATOM 0 HB2 SER A 67 -9.526 3.321 -21.730 1.00 2.22 H new ATOM 0 HB3 SER A 67 -10.302 3.936 -20.284 1.00 2.22 H new ATOM 0 HG SER A 67 -10.658 1.662 -20.572 1.00 61.23 H new ATOM 1061 N LEU A 68 -11.749 6.711 -21.256 1.00 20.22 N ATOM 1062 CA LEU A 68 -12.431 7.711 -20.442 1.00 72.13 C ATOM 1063 C LEU A 68 -13.928 7.727 -20.739 1.00 3.42 C ATOM 1064 O LEU A 68 -14.736 8.084 -19.883 1.00 22.44 O ATOM 1065 CB LEU A 68 -11.835 9.097 -20.696 1.00 55.21 C ATOM 1066 CG LEU A 68 -10.586 9.449 -19.888 1.00 41.55 C ATOM 1067 CD1 LEU A 68 -9.819 10.580 -20.553 1.00 12.14 C ATOM 1068 CD2 LEU A 68 -10.961 9.824 -18.461 1.00 33.12 C ATOM 0 H LEU A 68 -11.004 7.083 -21.845 1.00 20.22 H new ATOM 0 HA LEU A 68 -12.290 7.448 -19.394 1.00 72.13 H new ATOM 0 HB2 LEU A 68 -11.592 9.177 -21.756 1.00 55.21 H new ATOM 0 HB3 LEU A 68 -12.601 9.844 -20.487 1.00 55.21 H new ATOM 0 HG LEU A 68 -9.941 8.571 -19.855 1.00 41.55 H new ATOM 0 HD11 LEU A 68 -8.934 10.816 -19.963 1.00 12.14 H new ATOM 0 HD12 LEU A 68 -9.516 10.275 -21.555 1.00 12.14 H new ATOM 0 HD13 LEU A 68 -10.456 11.462 -20.619 1.00 12.14 H new ATOM 0 HD21 LEU A 68 -10.059 10.071 -17.901 1.00 33.12 H new ATOM 0 HD22 LEU A 68 -11.628 10.686 -18.475 1.00 33.12 H new ATOM 0 HD23 LEU A 68 -11.465 8.983 -17.984 1.00 33.12 H new ATOM 1080 N GLN A 69 -14.287 7.335 -21.957 1.00 33.34 N ATOM 1081 CA GLN A 69 -15.687 7.303 -22.366 1.00 34.15 C ATOM 1082 C GLN A 69 -16.521 6.480 -21.390 1.00 1.25 C ATOM 1083 O GLN A 69 -17.587 6.911 -20.949 1.00 62.21 O ATOM 1084 CB GLN A 69 -15.815 6.726 -23.777 1.00 3.12 C ATOM 1085 CG GLN A 69 -16.788 7.489 -24.662 1.00 72.34 C ATOM 1086 CD GLN A 69 -16.090 8.436 -25.617 1.00 3.35 C ATOM 1087 OE1 GLN A 69 -16.163 9.655 -25.466 1.00 21.14 O ATOM 1088 NE2 GLN A 69 -15.406 7.877 -26.610 1.00 63.45 N ATOM 0 H GLN A 69 -13.629 7.036 -22.677 1.00 33.34 H new ATOM 0 HA GLN A 69 -16.063 8.326 -22.364 1.00 34.15 H new ATOM 0 HB2 GLN A 69 -14.833 6.723 -24.250 1.00 3.12 H new ATOM 0 HB3 GLN A 69 -16.138 5.687 -23.708 1.00 3.12 H new ATOM 0 HG2 GLN A 69 -17.387 6.779 -25.233 1.00 72.34 H new ATOM 0 HG3 GLN A 69 -17.477 8.055 -24.034 1.00 72.34 H new ATOM 0 HE21 GLN A 69 -15.372 6.861 -26.697 1.00 63.45 H new ATOM 0 HE22 GLN A 69 -14.915 8.464 -27.285 1.00 63.45 H new ATOM 1097 N THR A 70 -16.029 5.290 -21.056 1.00 30.14 N ATOM 1098 CA THR A 70 -16.729 4.405 -20.134 1.00 20.30 C ATOM 1099 C THR A 70 -15.834 4.011 -18.965 1.00 63.43 C ATOM 1100 O THR A 70 -15.774 2.844 -18.582 1.00 53.33 O ATOM 1101 CB THR A 70 -17.220 3.129 -20.843 1.00 0.11 C ATOM 1102 OG1 THR A 70 -16.121 2.469 -21.479 1.00 2.41 O ATOM 1103 CG2 THR A 70 -18.287 3.460 -21.876 1.00 65.34 C ATOM 0 H THR A 70 -15.148 4.918 -21.411 1.00 30.14 H new ATOM 0 HA THR A 70 -17.591 4.957 -19.759 1.00 20.30 H new ATOM 0 HB THR A 70 -17.656 2.468 -20.094 1.00 0.11 H new ATOM 0 HG1 THR A 70 -16.441 1.658 -21.926 1.00 2.41 H new ATOM 0 HG21 THR A 70 -18.618 2.543 -22.364 1.00 65.34 H new ATOM 0 HG22 THR A 70 -19.135 3.936 -21.384 1.00 65.34 H new ATOM 0 HG23 THR A 70 -17.873 4.138 -22.622 1.00 65.34 H new ATOM 1111 N GLY A 71 -15.139 4.994 -18.399 1.00 1.54 N ATOM 1112 CA GLY A 71 -14.256 4.728 -17.278 1.00 0.04 C ATOM 1113 C GLY A 71 -14.895 5.067 -15.945 1.00 4.23 C ATOM 1114 O GLY A 71 -15.213 6.226 -15.678 1.00 13.52 O ATOM 0 H GLY A 71 -15.172 5.969 -18.697 1.00 1.54 H new ATOM 0 HA2 GLY A 71 -13.972 3.676 -17.284 1.00 0.04 H new ATOM 0 HA3 GLY A 71 -13.339 5.306 -17.396 1.00 0.04 H new ATOM 1118 N SER A 72 -15.082 4.052 -15.107 1.00 64.34 N ATOM 1119 CA SER A 72 -15.691 4.248 -13.797 1.00 51.41 C ATOM 1120 C SER A 72 -14.909 5.272 -12.980 1.00 11.43 C ATOM 1121 O SER A 72 -13.903 5.809 -13.441 1.00 42.33 O ATOM 1122 CB SER A 72 -15.759 2.919 -13.040 1.00 71.42 C ATOM 1123 OG SER A 72 -14.492 2.568 -12.511 1.00 33.34 O ATOM 0 H SER A 72 -14.821 3.087 -15.312 1.00 64.34 H new ATOM 0 HA SER A 72 -16.702 4.626 -13.947 1.00 51.41 H new ATOM 0 HB2 SER A 72 -16.486 2.994 -12.231 1.00 71.42 H new ATOM 0 HB3 SER A 72 -16.107 2.133 -13.710 1.00 71.42 H new ATOM 0 HG SER A 72 -14.562 1.717 -12.031 1.00 33.34 H new ATOM 1129 N GLU A 73 -15.380 5.536 -11.765 1.00 32.13 N ATOM 1130 CA GLU A 73 -14.725 6.496 -10.885 1.00 40.12 C ATOM 1131 C GLU A 73 -13.247 6.158 -10.716 1.00 22.23 C ATOM 1132 O GLU A 73 -12.417 7.044 -10.516 1.00 72.52 O ATOM 1133 CB GLU A 73 -15.414 6.520 -9.518 1.00 20.21 C ATOM 1134 CG GLU A 73 -14.938 7.647 -8.617 1.00 24.34 C ATOM 1135 CD GLU A 73 -15.164 7.353 -7.147 1.00 63.34 C ATOM 1136 OE1 GLU A 73 -14.502 6.438 -6.615 1.00 24.24 O ATOM 1137 OE2 GLU A 73 -16.004 8.040 -6.527 1.00 24.53 O ATOM 0 H GLU A 73 -16.212 5.099 -11.368 1.00 32.13 H new ATOM 0 HA GLU A 73 -14.804 7.483 -11.342 1.00 40.12 H new ATOM 0 HB2 GLU A 73 -16.490 6.613 -9.664 1.00 20.21 H new ATOM 0 HB3 GLU A 73 -15.242 5.568 -9.017 1.00 20.21 H new ATOM 0 HG2 GLU A 73 -13.876 7.821 -8.790 1.00 24.34 H new ATOM 0 HG3 GLU A 73 -15.460 8.566 -8.884 1.00 24.34 H new ATOM 1144 N GLU A 74 -12.926 4.871 -10.798 1.00 60.04 N ATOM 1145 CA GLU A 74 -11.548 4.417 -10.652 1.00 71.22 C ATOM 1146 C GLU A 74 -10.683 4.928 -11.800 1.00 32.42 C ATOM 1147 O GLU A 74 -9.525 5.299 -11.603 1.00 34.00 O ATOM 1148 CB GLU A 74 -11.495 2.889 -10.600 1.00 5.13 C ATOM 1149 CG GLU A 74 -11.538 2.326 -9.189 1.00 13.43 C ATOM 1150 CD GLU A 74 -12.953 2.140 -8.679 1.00 54.34 C ATOM 1151 OE1 GLU A 74 -13.883 2.716 -9.282 1.00 40.22 O ATOM 1152 OE2 GLU A 74 -13.131 1.416 -7.676 1.00 73.32 O ATOM 0 H GLU A 74 -13.601 4.125 -10.965 1.00 60.04 H new ATOM 0 HA GLU A 74 -11.156 4.819 -9.718 1.00 71.22 H new ATOM 0 HB2 GLU A 74 -12.333 2.485 -11.169 1.00 5.13 H new ATOM 0 HB3 GLU A 74 -10.583 2.549 -11.090 1.00 5.13 H new ATOM 0 HG2 GLU A 74 -11.019 1.368 -9.168 1.00 13.43 H new ATOM 0 HG3 GLU A 74 -10.999 2.995 -8.518 1.00 13.43 H new ATOM 1159 N LEU A 75 -11.252 4.944 -13.001 1.00 71.43 N ATOM 1160 CA LEU A 75 -10.534 5.409 -14.182 1.00 20.20 C ATOM 1161 C LEU A 75 -10.315 6.918 -14.127 1.00 12.11 C ATOM 1162 O LEU A 75 -9.273 7.420 -14.550 1.00 73.15 O ATOM 1163 CB LEU A 75 -11.305 5.040 -15.450 1.00 1.10 C ATOM 1164 CG LEU A 75 -10.475 4.918 -16.729 1.00 75.33 C ATOM 1165 CD1 LEU A 75 -10.991 3.778 -17.593 1.00 22.23 C ATOM 1166 CD2 LEU A 75 -10.494 6.228 -17.503 1.00 22.33 C ATOM 0 H LEU A 75 -12.209 4.640 -13.182 1.00 71.43 H new ATOM 0 HA LEU A 75 -9.560 4.920 -14.201 1.00 20.20 H new ATOM 0 HB2 LEU A 75 -11.813 4.091 -15.279 1.00 1.10 H new ATOM 0 HB3 LEU A 75 -12.078 5.791 -15.613 1.00 1.10 H new ATOM 0 HG LEU A 75 -9.444 4.698 -16.452 1.00 75.33 H new ATOM 0 HD11 LEU A 75 -10.389 3.706 -18.499 1.00 22.23 H new ATOM 0 HD12 LEU A 75 -10.925 2.842 -17.038 1.00 22.23 H new ATOM 0 HD13 LEU A 75 -12.030 3.967 -17.863 1.00 22.23 H new ATOM 0 HD21 LEU A 75 -9.899 6.123 -18.410 1.00 22.33 H new ATOM 0 HD22 LEU A 75 -11.521 6.478 -17.770 1.00 22.33 H new ATOM 0 HD23 LEU A 75 -10.076 7.022 -16.884 1.00 22.33 H new ATOM 1178 N ARG A 76 -11.302 7.635 -13.602 1.00 72.31 N ATOM 1179 CA ARG A 76 -11.217 9.087 -13.491 1.00 31.13 C ATOM 1180 C ARG A 76 -10.065 9.496 -12.579 1.00 40.44 C ATOM 1181 O ARG A 76 -9.142 10.191 -13.002 1.00 2.02 O ATOM 1182 CB ARG A 76 -12.533 9.657 -12.955 1.00 3.21 C ATOM 1183 CG ARG A 76 -13.352 10.388 -14.005 1.00 62.31 C ATOM 1184 CD ARG A 76 -14.207 9.426 -14.814 1.00 71.22 C ATOM 1185 NE ARG A 76 -14.898 10.099 -15.912 1.00 42.22 N ATOM 1186 CZ ARG A 76 -16.020 10.794 -15.759 1.00 62.05 C ATOM 1187 NH1 ARG A 76 -16.574 10.909 -14.559 1.00 14.33 N ATOM 1188 NH2 ARG A 76 -16.588 11.377 -16.806 1.00 40.00 N ATOM 0 H ARG A 76 -12.170 7.235 -13.247 1.00 72.31 H new ATOM 0 HA ARG A 76 -11.032 9.492 -14.486 1.00 31.13 H new ATOM 0 HB2 ARG A 76 -13.130 8.844 -12.542 1.00 3.21 H new ATOM 0 HB3 ARG A 76 -12.316 10.341 -12.135 1.00 3.21 H new ATOM 0 HG2 ARG A 76 -13.992 11.126 -13.520 1.00 62.31 H new ATOM 0 HG3 ARG A 76 -12.685 10.934 -14.673 1.00 62.31 H new ATOM 0 HD2 ARG A 76 -13.578 8.631 -15.214 1.00 71.22 H new ATOM 0 HD3 ARG A 76 -14.940 8.954 -14.160 1.00 71.22 H new ATOM 0 HE ARG A 76 -14.497 10.031 -16.847 1.00 42.22 H new ATOM 0 HH11 ARG A 76 -16.139 10.463 -13.751 1.00 14.33 H new ATOM 0 HH12 ARG A 76 -17.435 11.443 -14.444 1.00 14.33 H new ATOM 0 HH21 ARG A 76 -16.164 11.292 -17.730 1.00 40.00 H new ATOM 0 HH22 ARG A 76 -17.449 11.910 -16.688 1.00 40.00 H new ATOM 1202 N SER A 77 -10.125 9.059 -11.325 1.00 23.01 N ATOM 1203 CA SER A 77 -9.088 9.383 -10.352 1.00 52.43 C ATOM 1204 C SER A 77 -7.706 9.032 -10.894 1.00 65.20 C ATOM 1205 O SER A 77 -6.761 9.811 -10.765 1.00 4.13 O ATOM 1206 CB SER A 77 -9.339 8.636 -9.040 1.00 11.45 C ATOM 1207 OG SER A 77 -10.195 9.375 -8.187 1.00 31.20 O ATOM 0 H SER A 77 -10.881 8.480 -10.959 1.00 23.01 H new ATOM 0 HA SER A 77 -9.123 10.456 -10.163 1.00 52.43 H new ATOM 0 HB2 SER A 77 -9.783 7.663 -9.251 1.00 11.45 H new ATOM 0 HB3 SER A 77 -8.390 8.451 -8.536 1.00 11.45 H new ATOM 0 HG SER A 77 -10.341 8.875 -7.357 1.00 31.20 H new ATOM 1213 N LEU A 78 -7.596 7.856 -11.501 1.00 54.45 N ATOM 1214 CA LEU A 78 -6.330 7.401 -12.064 1.00 51.14 C ATOM 1215 C LEU A 78 -5.806 8.392 -13.097 1.00 4.34 C ATOM 1216 O LEU A 78 -4.683 8.885 -12.986 1.00 2.40 O ATOM 1217 CB LEU A 78 -6.499 6.021 -12.703 1.00 32.35 C ATOM 1218 CG LEU A 78 -5.933 4.841 -11.914 1.00 71.24 C ATOM 1219 CD1 LEU A 78 -4.456 5.054 -11.620 1.00 1.13 C ATOM 1220 CD2 LEU A 78 -6.712 4.642 -10.621 1.00 34.01 C ATOM 0 H LEU A 78 -8.368 7.200 -11.616 1.00 54.45 H new ATOM 0 HA LEU A 78 -5.604 7.332 -11.253 1.00 51.14 H new ATOM 0 HB2 LEU A 78 -7.562 5.846 -12.866 1.00 32.35 H new ATOM 0 HB3 LEU A 78 -6.025 6.037 -13.684 1.00 32.35 H new ATOM 0 HG LEU A 78 -6.036 3.941 -12.520 1.00 71.24 H new ATOM 0 HD11 LEU A 78 -4.071 4.204 -11.058 1.00 1.13 H new ATOM 0 HD12 LEU A 78 -3.908 5.147 -12.558 1.00 1.13 H new ATOM 0 HD13 LEU A 78 -4.329 5.964 -11.034 1.00 1.13 H new ATOM 0 HD21 LEU A 78 -6.296 3.798 -10.072 1.00 34.01 H new ATOM 0 HD22 LEU A 78 -6.641 5.543 -10.011 1.00 34.01 H new ATOM 0 HD23 LEU A 78 -7.758 4.443 -10.853 1.00 34.01 H new ATOM 1232 N TYR A 79 -6.626 8.682 -14.101 1.00 2.12 N ATOM 1233 CA TYR A 79 -6.245 9.614 -15.155 1.00 20.15 C ATOM 1234 C TYR A 79 -5.747 10.929 -14.565 1.00 63.43 C ATOM 1235 O TYR A 79 -4.651 11.389 -14.882 1.00 61.53 O ATOM 1236 CB TYR A 79 -7.430 9.876 -16.085 1.00 34.24 C ATOM 1237 CG TYR A 79 -7.036 10.496 -17.407 1.00 74.40 C ATOM 1238 CD1 TYR A 79 -6.160 9.847 -18.267 1.00 34.15 C ATOM 1239 CD2 TYR A 79 -7.541 11.731 -17.796 1.00 4.00 C ATOM 1240 CE1 TYR A 79 -5.797 10.410 -19.476 1.00 2.23 C ATOM 1241 CE2 TYR A 79 -7.184 12.301 -19.003 1.00 51.00 C ATOM 1242 CZ TYR A 79 -6.312 11.636 -19.839 1.00 20.11 C ATOM 1243 OH TYR A 79 -5.953 12.201 -21.042 1.00 54.11 O ATOM 0 H TYR A 79 -7.559 8.285 -14.207 1.00 2.12 H new ATOM 0 HA TYR A 79 -5.434 9.164 -15.728 1.00 20.15 H new ATOM 0 HB2 TYR A 79 -7.948 8.936 -16.274 1.00 34.24 H new ATOM 0 HB3 TYR A 79 -8.138 10.534 -15.581 1.00 34.24 H new ATOM 0 HD1 TYR A 79 -5.755 8.886 -17.986 1.00 34.15 H new ATOM 0 HD2 TYR A 79 -8.224 12.254 -17.144 1.00 4.00 H new ATOM 0 HE1 TYR A 79 -5.114 9.892 -20.133 1.00 2.23 H new ATOM 0 HE2 TYR A 79 -7.586 13.262 -19.290 1.00 51.00 H new ATOM 0 HH TYR A 79 -6.405 13.065 -21.146 1.00 54.11 H new ATOM 1253 N ASN A 80 -6.562 11.530 -13.703 1.00 63.20 N ATOM 1254 CA ASN A 80 -6.205 12.792 -13.066 1.00 62.42 C ATOM 1255 C ASN A 80 -4.823 12.708 -12.426 1.00 23.10 C ATOM 1256 O ASN A 80 -3.924 13.483 -12.757 1.00 40.05 O ATOM 1257 CB ASN A 80 -7.246 13.168 -12.010 1.00 2.10 C ATOM 1258 CG ASN A 80 -8.215 14.225 -12.503 1.00 14.25 C ATOM 1259 OD1 ASN A 80 -8.935 14.015 -13.481 1.00 53.43 O ATOM 1260 ND2 ASN A 80 -8.239 15.367 -11.828 1.00 74.34 N ATOM 0 H ASN A 80 -7.474 11.163 -13.430 1.00 63.20 H new ATOM 0 HA ASN A 80 -6.183 13.564 -13.836 1.00 62.42 H new ATOM 0 HB2 ASN A 80 -7.802 12.277 -11.719 1.00 2.10 H new ATOM 0 HB3 ASN A 80 -6.738 13.533 -11.117 1.00 2.10 H new ATOM 0 HD21 ASN A 80 -8.872 16.115 -12.113 1.00 74.34 H new ATOM 0 HD22 ASN A 80 -7.625 15.497 -11.024 1.00 74.34 H new ATOM 1267 N THR A 81 -4.658 11.760 -11.508 1.00 32.11 N ATOM 1268 CA THR A 81 -3.387 11.574 -10.821 1.00 61.14 C ATOM 1269 C THR A 81 -2.263 11.290 -11.811 1.00 34.13 C ATOM 1270 O THR A 81 -1.307 12.059 -11.916 1.00 73.11 O ATOM 1271 CB THR A 81 -3.462 10.420 -9.803 1.00 72.42 C ATOM 1272 OG1 THR A 81 -4.542 10.642 -8.890 1.00 63.53 O ATOM 1273 CG2 THR A 81 -2.157 10.293 -9.032 1.00 22.12 C ATOM 0 H THR A 81 -5.390 11.109 -11.224 1.00 32.11 H new ATOM 0 HA THR A 81 -3.175 12.503 -10.292 1.00 61.14 H new ATOM 0 HB THR A 81 -3.634 9.493 -10.350 1.00 72.42 H new ATOM 0 HG1 THR A 81 -5.391 10.422 -9.328 1.00 63.53 H new ATOM 0 HG21 THR A 81 -2.234 9.472 -8.319 1.00 22.12 H new ATOM 0 HG22 THR A 81 -1.341 10.095 -9.727 1.00 22.12 H new ATOM 0 HG23 THR A 81 -1.959 11.221 -8.496 1.00 22.12 H new ATOM 1281 N ILE A 82 -2.385 10.183 -12.535 1.00 23.43 N ATOM 1282 CA ILE A 82 -1.379 9.800 -13.519 1.00 72.02 C ATOM 1283 C ILE A 82 -0.974 10.990 -14.383 1.00 1.22 C ATOM 1284 O ILE A 82 0.210 11.209 -14.639 1.00 70.23 O ATOM 1285 CB ILE A 82 -1.887 8.667 -14.431 1.00 45.34 C ATOM 1286 CG1 ILE A 82 -2.196 7.417 -13.604 1.00 71.34 C ATOM 1287 CG2 ILE A 82 -0.859 8.354 -15.508 1.00 33.33 C ATOM 1288 CD1 ILE A 82 -3.029 6.394 -14.343 1.00 24.54 C ATOM 0 H ILE A 82 -3.170 9.536 -12.459 1.00 23.43 H new ATOM 0 HA ILE A 82 -0.511 9.446 -12.962 1.00 72.02 H new ATOM 0 HB ILE A 82 -2.806 8.995 -14.916 1.00 45.34 H new ATOM 0 HG12 ILE A 82 -1.258 6.955 -13.295 1.00 71.34 H new ATOM 0 HG13 ILE A 82 -2.721 7.713 -12.696 1.00 71.34 H new ATOM 0 HG21 ILE A 82 -1.232 7.552 -16.145 1.00 33.33 H new ATOM 0 HG22 ILE A 82 -0.682 9.244 -16.112 1.00 33.33 H new ATOM 0 HG23 ILE A 82 0.075 8.042 -15.040 1.00 33.33 H new ATOM 0 HD11 ILE A 82 -3.209 5.535 -13.696 1.00 24.54 H new ATOM 0 HD12 ILE A 82 -3.982 6.839 -14.629 1.00 24.54 H new ATOM 0 HD13 ILE A 82 -2.497 6.069 -15.237 1.00 24.54 H new ATOM 1300 N ALA A 83 -1.965 11.755 -14.828 1.00 4.13 N ATOM 1301 CA ALA A 83 -1.712 12.925 -15.660 1.00 1.34 C ATOM 1302 C ALA A 83 -0.650 13.823 -15.036 1.00 73.43 C ATOM 1303 O ALA A 83 0.324 14.199 -15.689 1.00 52.23 O ATOM 1304 CB ALA A 83 -3.000 13.703 -15.883 1.00 32.13 C ATOM 0 H ALA A 83 -2.950 11.586 -14.626 1.00 4.13 H new ATOM 0 HA ALA A 83 -1.338 12.580 -16.624 1.00 1.34 H new ATOM 0 HB1 ALA A 83 -2.796 14.574 -16.506 1.00 32.13 H new ATOM 0 HB2 ALA A 83 -3.730 13.064 -16.381 1.00 32.13 H new ATOM 0 HB3 ALA A 83 -3.399 14.029 -14.923 1.00 32.13 H new ATOM 1310 N VAL A 84 -0.845 14.167 -13.766 1.00 23.01 N ATOM 1311 CA VAL A 84 0.096 15.022 -13.052 1.00 42.11 C ATOM 1312 C VAL A 84 1.478 14.380 -12.982 1.00 12.12 C ATOM 1313 O VAL A 84 2.492 15.034 -13.227 1.00 30.21 O ATOM 1314 CB VAL A 84 -0.391 15.322 -11.622 1.00 20.22 C ATOM 1315 CG1 VAL A 84 0.633 16.160 -10.873 1.00 22.44 C ATOM 1316 CG2 VAL A 84 -1.742 16.021 -11.656 1.00 22.44 C ATOM 0 H VAL A 84 -1.646 13.866 -13.211 1.00 23.01 H new ATOM 0 HA VAL A 84 0.160 15.956 -13.610 1.00 42.11 H new ATOM 0 HB VAL A 84 -0.509 14.377 -11.091 1.00 20.22 H new ATOM 0 HG11 VAL A 84 0.271 16.362 -9.865 1.00 22.44 H new ATOM 0 HG12 VAL A 84 1.577 15.618 -10.818 1.00 22.44 H new ATOM 0 HG13 VAL A 84 0.786 17.103 -11.399 1.00 22.44 H new ATOM 0 HG21 VAL A 84 -2.072 16.226 -10.637 1.00 22.44 H new ATOM 0 HG22 VAL A 84 -1.653 16.959 -12.204 1.00 22.44 H new ATOM 0 HG23 VAL A 84 -2.471 15.380 -12.151 1.00 22.44 H new ATOM 1326 N LEU A 85 1.510 13.095 -12.645 1.00 25.45 N ATOM 1327 CA LEU A 85 2.768 12.362 -12.543 1.00 33.42 C ATOM 1328 C LEU A 85 3.520 12.384 -13.871 1.00 51.41 C ATOM 1329 O LEU A 85 4.677 12.798 -13.933 1.00 2.50 O ATOM 1330 CB LEU A 85 2.505 10.918 -12.115 1.00 3.12 C ATOM 1331 CG LEU A 85 3.621 10.241 -11.319 1.00 41.10 C ATOM 1332 CD1 LEU A 85 3.213 10.076 -9.863 1.00 1.44 C ATOM 1333 CD2 LEU A 85 3.973 8.894 -11.932 1.00 42.13 C ATOM 0 H LEU A 85 0.680 12.539 -12.438 1.00 25.45 H new ATOM 0 HA LEU A 85 3.386 12.850 -11.790 1.00 33.42 H new ATOM 0 HB2 LEU A 85 1.595 10.898 -11.516 1.00 3.12 H new ATOM 0 HB3 LEU A 85 2.312 10.325 -13.009 1.00 3.12 H new ATOM 0 HG LEU A 85 4.506 10.877 -11.358 1.00 41.10 H new ATOM 0 HD11 LEU A 85 4.019 9.592 -9.312 1.00 1.44 H new ATOM 0 HD12 LEU A 85 3.012 11.055 -9.428 1.00 1.44 H new ATOM 0 HD13 LEU A 85 2.314 9.462 -9.804 1.00 1.44 H new ATOM 0 HD21 LEU A 85 4.769 8.427 -11.352 1.00 42.13 H new ATOM 0 HD22 LEU A 85 3.094 8.250 -11.925 1.00 42.13 H new ATOM 0 HD23 LEU A 85 4.309 9.038 -12.959 1.00 42.13 H new ATOM 1345 N TYR A 86 2.854 11.937 -14.929 1.00 73.42 N ATOM 1346 CA TYR A 86 3.459 11.904 -16.256 1.00 62.33 C ATOM 1347 C TYR A 86 4.119 13.239 -16.585 1.00 1.13 C ATOM 1348 O TYR A 86 5.261 13.283 -17.048 1.00 54.33 O ATOM 1349 CB TYR A 86 2.405 11.569 -17.312 1.00 13.20 C ATOM 1350 CG TYR A 86 2.892 11.749 -18.731 1.00 0.02 C ATOM 1351 CD1 TYR A 86 3.813 10.870 -19.288 1.00 61.31 C ATOM 1352 CD2 TYR A 86 2.431 12.798 -19.517 1.00 31.30 C ATOM 1353 CE1 TYR A 86 4.261 11.032 -20.585 1.00 44.32 C ATOM 1354 CE2 TYR A 86 2.872 12.966 -20.816 1.00 61.11 C ATOM 1355 CZ TYR A 86 3.788 12.081 -21.344 1.00 33.41 C ATOM 1356 OH TYR A 86 4.231 12.244 -22.637 1.00 41.14 O ATOM 0 H TYR A 86 1.895 11.592 -14.894 1.00 73.42 H new ATOM 0 HA TYR A 86 4.225 11.129 -16.260 1.00 62.33 H new ATOM 0 HB2 TYR A 86 2.082 10.537 -17.176 1.00 13.20 H new ATOM 0 HB3 TYR A 86 1.531 12.201 -17.154 1.00 13.20 H new ATOM 0 HD1 TYR A 86 4.185 10.046 -18.697 1.00 61.31 H new ATOM 0 HD2 TYR A 86 1.715 13.494 -19.106 1.00 31.30 H new ATOM 0 HE1 TYR A 86 4.978 10.340 -21.002 1.00 44.32 H new ATOM 0 HE2 TYR A 86 2.501 13.786 -21.414 1.00 61.11 H new ATOM 0 HH TYR A 86 3.800 13.029 -23.034 1.00 41.14 H new ATOM 1366 N CYS A 87 3.394 14.326 -16.345 1.00 23.40 N ATOM 1367 CA CYS A 87 3.908 15.664 -16.616 1.00 22.00 C ATOM 1368 C CYS A 87 5.273 15.864 -15.965 1.00 54.11 C ATOM 1369 O CYS A 87 6.238 16.248 -16.626 1.00 74.22 O ATOM 1370 CB CYS A 87 2.928 16.722 -16.110 1.00 75.23 C ATOM 1371 SG CYS A 87 1.603 17.118 -17.275 1.00 72.00 S ATOM 0 H CYS A 87 2.448 14.307 -15.963 1.00 23.40 H new ATOM 0 HA CYS A 87 4.021 15.771 -17.695 1.00 22.00 H new ATOM 0 HB2 CYS A 87 2.485 16.375 -15.177 1.00 75.23 H new ATOM 0 HB3 CYS A 87 3.480 17.633 -15.881 1.00 75.23 H new ATOM 0 HG CYS A 87 0.711 17.855 -16.683 1.00 72.00 H new ATOM 1377 N VAL A 88 5.346 15.603 -14.664 1.00 72.35 N ATOM 1378 CA VAL A 88 6.592 15.756 -13.922 1.00 1.24 C ATOM 1379 C VAL A 88 7.724 14.980 -14.585 1.00 42.11 C ATOM 1380 O VAL A 88 8.826 15.499 -14.763 1.00 45.34 O ATOM 1381 CB VAL A 88 6.440 15.277 -12.466 1.00 11.02 C ATOM 1382 CG1 VAL A 88 7.738 15.482 -11.698 1.00 0.45 C ATOM 1383 CG2 VAL A 88 5.289 16.002 -11.784 1.00 14.43 C ATOM 0 H VAL A 88 4.557 15.284 -14.102 1.00 72.35 H new ATOM 0 HA VAL A 88 6.834 16.819 -13.924 1.00 1.24 H new ATOM 0 HB VAL A 88 6.214 14.211 -12.475 1.00 11.02 H new ATOM 0 HG11 VAL A 88 7.612 15.138 -10.671 1.00 0.45 H new ATOM 0 HG12 VAL A 88 8.537 14.914 -12.175 1.00 0.45 H new ATOM 0 HG13 VAL A 88 7.997 16.541 -11.696 1.00 0.45 H new ATOM 0 HG21 VAL A 88 5.196 15.651 -10.756 1.00 14.43 H new ATOM 0 HG22 VAL A 88 5.483 17.075 -11.785 1.00 14.43 H new ATOM 0 HG23 VAL A 88 4.362 15.800 -12.321 1.00 14.43 H new ATOM 1393 N HIS A 89 7.446 13.733 -14.951 1.00 54.23 N ATOM 1394 CA HIS A 89 8.441 12.883 -15.596 1.00 53.32 C ATOM 1395 C HIS A 89 9.021 13.569 -16.830 1.00 71.14 C ATOM 1396 O HIS A 89 10.227 13.440 -17.032 1.00 65.25 O ATOM 1397 CB HIS A 89 7.820 11.542 -15.989 1.00 42.23 C ATOM 1398 CG HIS A 89 7.713 10.576 -14.850 1.00 52.04 C ATOM 1399 ND1 HIS A 89 8.593 10.561 -13.789 1.00 61.11 N ATOM 1400 CD2 HIS A 89 6.819 9.588 -14.608 1.00 41.03 C ATOM 1401 CE1 HIS A 89 8.247 9.605 -12.946 1.00 45.12 C ATOM 1402 NE2 HIS A 89 7.173 9.001 -13.419 1.00 14.41 N ATOM 0 H HIS A 89 6.539 13.288 -14.812 1.00 54.23 H new ATOM 0 HA HIS A 89 9.248 12.706 -14.885 1.00 53.32 H new ATOM 0 HB2 HIS A 89 6.826 11.718 -16.400 1.00 42.23 H new ATOM 0 HB3 HIS A 89 8.418 11.092 -16.781 1.00 42.23 H new ATOM 0 HD2 HIS A 89 5.983 9.313 -15.234 1.00 41.03 H new ATOM 0 HE1 HIS A 89 8.756 9.359 -12.026 1.00 45.12 H new ATOM 0 HE2 HIS A 89 6.685 8.224 -12.973 1.00 14.41 H new ATOM 1411 N GLN A 90 8.223 14.270 -17.629 1.00 0.55 N ATOM 1412 CA GLN A 90 8.733 14.941 -18.819 1.00 52.32 C ATOM 1413 C GLN A 90 9.163 16.368 -18.497 1.00 54.33 C ATOM 1414 O GLN A 90 9.107 17.252 -19.352 1.00 53.21 O ATOM 1415 CB GLN A 90 7.669 14.952 -19.918 1.00 21.04 C ATOM 1416 CG GLN A 90 7.611 13.663 -20.722 1.00 1.34 C ATOM 1417 CD GLN A 90 8.946 13.302 -21.343 1.00 43.31 C ATOM 1418 OE1 GLN A 90 9.706 12.506 -20.789 1.00 20.42 O ATOM 1419 NE2 GLN A 90 9.240 13.885 -22.499 1.00 72.34 N ATOM 0 H GLN A 90 7.222 14.388 -17.474 1.00 0.55 H new ATOM 0 HA GLN A 90 9.605 14.390 -19.172 1.00 52.32 H new ATOM 0 HB2 GLN A 90 6.694 15.133 -19.466 1.00 21.04 H new ATOM 0 HB3 GLN A 90 7.866 15.784 -20.594 1.00 21.04 H new ATOM 0 HG2 GLN A 90 7.284 12.850 -20.074 1.00 1.34 H new ATOM 0 HG3 GLN A 90 6.864 13.764 -21.509 1.00 1.34 H new ATOM 0 HE21 GLN A 90 8.581 14.538 -22.923 1.00 72.34 H new ATOM 0 HE22 GLN A 90 10.125 13.680 -22.963 1.00 72.34 H new ATOM 1428 N ARG A 91 9.592 16.586 -17.257 1.00 13.15 N ATOM 1429 CA ARG A 91 10.030 17.906 -16.821 1.00 2.23 C ATOM 1430 C ARG A 91 8.940 18.947 -17.060 1.00 41.24 C ATOM 1431 O ARG A 91 9.225 20.079 -17.450 1.00 73.23 O ATOM 1432 CB ARG A 91 11.308 18.311 -17.559 1.00 34.32 C ATOM 1433 CG ARG A 91 12.369 17.224 -17.583 1.00 12.34 C ATOM 1434 CD ARG A 91 13.739 17.790 -17.925 1.00 51.10 C ATOM 1435 NE ARG A 91 14.292 18.581 -16.829 1.00 25.31 N ATOM 1436 CZ ARG A 91 15.489 19.157 -16.870 1.00 2.23 C ATOM 1437 NH1 ARG A 91 16.253 19.029 -17.946 1.00 21.12 N ATOM 1438 NH2 ARG A 91 15.924 19.861 -15.833 1.00 51.00 N ATOM 0 H ARG A 91 9.645 15.865 -16.537 1.00 13.15 H new ATOM 0 HA ARG A 91 10.235 17.859 -15.751 1.00 2.23 H new ATOM 0 HB2 ARG A 91 11.055 18.582 -18.584 1.00 34.32 H new ATOM 0 HB3 ARG A 91 11.723 19.201 -17.087 1.00 34.32 H new ATOM 0 HG2 ARG A 91 12.410 16.732 -16.611 1.00 12.34 H new ATOM 0 HG3 ARG A 91 12.096 16.463 -18.314 1.00 12.34 H new ATOM 0 HD2 ARG A 91 14.420 16.973 -18.162 1.00 51.10 H new ATOM 0 HD3 ARG A 91 13.663 18.411 -18.818 1.00 51.10 H new ATOM 0 HE ARG A 91 13.729 18.698 -15.986 1.00 25.31 H new ATOM 0 HH11 ARG A 91 15.922 18.488 -18.745 1.00 21.12 H new ATOM 0 HH12 ARG A 91 17.171 19.472 -17.975 1.00 21.12 H new ATOM 0 HH21 ARG A 91 15.340 19.961 -15.003 1.00 51.00 H new ATOM 0 HH22 ARG A 91 16.843 20.303 -15.866 1.00 51.00 H new ATOM 1452 N ILE A 92 7.693 18.554 -16.823 1.00 62.41 N ATOM 1453 CA ILE A 92 6.561 19.453 -17.011 1.00 14.21 C ATOM 1454 C ILE A 92 6.005 19.925 -15.672 1.00 64.41 C ATOM 1455 O ILE A 92 5.487 19.131 -14.888 1.00 13.22 O ATOM 1456 CB ILE A 92 5.433 18.777 -17.812 1.00 73.31 C ATOM 1457 CG1 ILE A 92 6.006 18.055 -19.034 1.00 72.54 C ATOM 1458 CG2 ILE A 92 4.395 19.805 -18.236 1.00 72.52 C ATOM 1459 CD1 ILE A 92 4.957 17.352 -19.867 1.00 42.43 C ATOM 0 H ILE A 92 7.441 17.620 -16.501 1.00 62.41 H new ATOM 0 HA ILE A 92 6.930 20.312 -17.572 1.00 14.21 H new ATOM 0 HB ILE A 92 4.946 18.040 -17.174 1.00 73.31 H new ATOM 0 HG12 ILE A 92 6.531 18.777 -19.659 1.00 72.54 H new ATOM 0 HG13 ILE A 92 6.744 17.325 -18.702 1.00 72.54 H new ATOM 0 HG21 ILE A 92 3.604 19.312 -18.801 1.00 72.52 H new ATOM 0 HG22 ILE A 92 3.968 20.277 -17.351 1.00 72.52 H new ATOM 0 HG23 ILE A 92 4.868 20.564 -18.860 1.00 72.52 H new ATOM 0 HD11 ILE A 92 5.434 16.862 -20.716 1.00 42.43 H new ATOM 0 HD12 ILE A 92 4.448 16.606 -19.257 1.00 42.43 H new ATOM 0 HD13 ILE A 92 4.232 18.081 -20.229 1.00 42.43 H new ATOM 1471 N ASP A 93 6.116 21.224 -15.417 1.00 25.21 N ATOM 1472 CA ASP A 93 5.624 21.805 -14.174 1.00 73.12 C ATOM 1473 C ASP A 93 4.232 22.402 -14.367 1.00 44.41 C ATOM 1474 O ASP A 93 4.042 23.307 -15.178 1.00 72.10 O ATOM 1475 CB ASP A 93 6.588 22.880 -13.670 1.00 54.44 C ATOM 1476 CG ASP A 93 7.998 22.353 -13.487 1.00 13.23 C ATOM 1477 OD1 ASP A 93 8.163 21.118 -13.397 1.00 25.13 O ATOM 1478 OD2 ASP A 93 8.935 23.176 -13.436 1.00 1.04 O ATOM 0 H ASP A 93 6.543 21.895 -16.056 1.00 25.21 H new ATOM 0 HA ASP A 93 5.560 21.010 -13.431 1.00 73.12 H new ATOM 0 HB2 ASP A 93 6.602 23.711 -14.376 1.00 54.44 H new ATOM 0 HB3 ASP A 93 6.224 23.274 -12.721 1.00 54.44 H new ATOM 1483 N VAL A 94 3.264 21.887 -13.615 1.00 4.32 N ATOM 1484 CA VAL A 94 1.891 22.368 -13.703 1.00 21.42 C ATOM 1485 C VAL A 94 1.449 23.012 -12.394 1.00 32.22 C ATOM 1486 O VAL A 94 2.039 22.771 -11.341 1.00 64.53 O ATOM 1487 CB VAL A 94 0.917 21.229 -14.057 1.00 42.15 C ATOM 1488 CG1 VAL A 94 1.255 20.642 -15.419 1.00 14.42 C ATOM 1489 CG2 VAL A 94 0.946 20.153 -12.982 1.00 52.04 C ATOM 0 H VAL A 94 3.406 21.137 -12.938 1.00 4.32 H new ATOM 0 HA VAL A 94 1.868 23.114 -14.497 1.00 21.42 H new ATOM 0 HB VAL A 94 -0.092 21.637 -14.105 1.00 42.15 H new ATOM 0 HG11 VAL A 94 0.556 19.839 -15.652 1.00 14.42 H new ATOM 0 HG12 VAL A 94 1.181 21.420 -16.179 1.00 14.42 H new ATOM 0 HG13 VAL A 94 2.271 20.246 -15.403 1.00 14.42 H new ATOM 0 HG21 VAL A 94 0.252 19.355 -13.247 1.00 52.04 H new ATOM 0 HG22 VAL A 94 1.954 19.746 -12.902 1.00 52.04 H new ATOM 0 HG23 VAL A 94 0.653 20.586 -12.026 1.00 52.04 H new ATOM 1499 N LYS A 95 0.405 23.832 -12.466 1.00 3.44 N ATOM 1500 CA LYS A 95 -0.119 24.509 -11.286 1.00 15.42 C ATOM 1501 C LYS A 95 -0.961 23.558 -10.442 1.00 75.13 C ATOM 1502 O LYS A 95 -0.697 23.366 -9.255 1.00 31.42 O ATOM 1503 CB LYS A 95 -0.958 25.721 -11.699 1.00 0.14 C ATOM 1504 CG LYS A 95 -0.163 27.012 -11.777 1.00 32.30 C ATOM 1505 CD LYS A 95 -1.039 28.224 -11.501 1.00 0.31 C ATOM 1506 CE LYS A 95 -0.815 29.319 -12.533 1.00 42.41 C ATOM 1507 NZ LYS A 95 -1.302 28.918 -13.882 1.00 64.23 N ATOM 0 H LYS A 95 -0.095 24.043 -13.330 1.00 3.44 H new ATOM 0 HA LYS A 95 0.726 24.847 -10.686 1.00 15.42 H new ATOM 0 HB2 LYS A 95 -1.412 25.524 -12.670 1.00 0.14 H new ATOM 0 HB3 LYS A 95 -1.773 25.848 -10.986 1.00 0.14 H new ATOM 0 HG2 LYS A 95 0.654 26.981 -11.057 1.00 32.30 H new ATOM 0 HG3 LYS A 95 0.287 27.104 -12.766 1.00 32.30 H new ATOM 0 HD2 LYS A 95 -2.087 27.926 -11.507 1.00 0.31 H new ATOM 0 HD3 LYS A 95 -0.823 28.611 -10.505 1.00 0.31 H new ATOM 0 HE2 LYS A 95 -1.329 30.227 -12.217 1.00 42.41 H new ATOM 0 HE3 LYS A 95 0.248 29.556 -12.586 1.00 42.41 H new ATOM 0 HZ1 LYS A 95 -1.434 29.766 -14.470 1.00 64.23 H new ATOM 0 HZ2 LYS A 95 -0.604 28.291 -14.331 1.00 64.23 H new ATOM 0 HZ3 LYS A 95 -2.209 28.417 -13.789 1.00 64.23 H new ATOM 1521 N ASP A 96 -1.976 22.965 -11.062 1.00 4.53 N ATOM 1522 CA ASP A 96 -2.856 22.032 -10.367 1.00 24.23 C ATOM 1523 C ASP A 96 -3.161 20.820 -11.242 1.00 43.41 C ATOM 1524 O ASP A 96 -2.727 20.744 -12.393 1.00 63.33 O ATOM 1525 CB ASP A 96 -4.158 22.727 -9.968 1.00 44.14 C ATOM 1526 CG ASP A 96 -4.697 23.623 -11.064 1.00 21.44 C ATOM 1527 OD1 ASP A 96 -4.937 23.115 -12.181 1.00 32.41 O ATOM 1528 OD2 ASP A 96 -4.881 24.831 -10.808 1.00 64.43 O ATOM 0 H ASP A 96 -2.210 23.114 -12.044 1.00 4.53 H new ATOM 0 HA ASP A 96 -2.345 21.690 -9.467 1.00 24.23 H new ATOM 0 HB2 ASP A 96 -4.906 21.974 -9.718 1.00 44.14 H new ATOM 0 HB3 ASP A 96 -3.989 23.320 -9.069 1.00 44.14 H new ATOM 1533 N THR A 97 -3.909 19.870 -10.689 1.00 25.33 N ATOM 1534 CA THR A 97 -4.270 18.660 -11.417 1.00 70.51 C ATOM 1535 C THR A 97 -5.123 18.987 -12.637 1.00 2.14 C ATOM 1536 O THR A 97 -5.379 18.124 -13.478 1.00 73.23 O ATOM 1537 CB THR A 97 -5.036 17.672 -10.518 1.00 53.13 C ATOM 1538 OG1 THR A 97 -4.306 17.444 -9.307 1.00 15.40 O ATOM 1539 CG2 THR A 97 -5.263 16.350 -11.237 1.00 23.34 C ATOM 0 H THR A 97 -4.277 19.916 -9.739 1.00 25.33 H new ATOM 0 HA THR A 97 -3.339 18.196 -11.742 1.00 70.51 H new ATOM 0 HB THR A 97 -6.006 18.109 -10.280 1.00 53.13 H new ATOM 0 HG1 THR A 97 -3.897 16.554 -9.334 1.00 15.40 H new ATOM 0 HG21 THR A 97 -5.806 15.668 -10.582 1.00 23.34 H new ATOM 0 HG22 THR A 97 -5.844 16.523 -12.143 1.00 23.34 H new ATOM 0 HG23 THR A 97 -4.302 15.910 -11.502 1.00 23.34 H new ATOM 1547 N LYS A 98 -5.561 20.238 -12.730 1.00 23.10 N ATOM 1548 CA LYS A 98 -6.383 20.680 -13.849 1.00 14.31 C ATOM 1549 C LYS A 98 -5.519 21.034 -15.055 1.00 61.01 C ATOM 1550 O LYS A 98 -5.744 20.538 -16.158 1.00 15.43 O ATOM 1551 CB LYS A 98 -7.228 21.889 -13.441 1.00 33.55 C ATOM 1552 CG LYS A 98 -8.691 21.769 -13.831 1.00 61.14 C ATOM 1553 CD LYS A 98 -9.122 22.906 -14.743 1.00 44.04 C ATOM 1554 CE LYS A 98 -10.636 23.003 -14.836 1.00 53.23 C ATOM 1555 NZ LYS A 98 -11.204 23.862 -13.760 1.00 75.41 N ATOM 0 H LYS A 98 -5.360 20.964 -12.043 1.00 23.10 H new ATOM 0 HA LYS A 98 -7.044 19.859 -14.128 1.00 14.31 H new ATOM 0 HB2 LYS A 98 -7.158 22.022 -12.361 1.00 33.55 H new ATOM 0 HB3 LYS A 98 -6.811 22.785 -13.901 1.00 33.55 H new ATOM 0 HG2 LYS A 98 -8.857 20.816 -14.333 1.00 61.14 H new ATOM 0 HG3 LYS A 98 -9.309 21.768 -12.933 1.00 61.14 H new ATOM 0 HD2 LYS A 98 -8.719 23.847 -14.369 1.00 44.04 H new ATOM 0 HD3 LYS A 98 -8.704 22.754 -15.738 1.00 44.04 H new ATOM 0 HE2 LYS A 98 -10.915 23.408 -15.809 1.00 53.23 H new ATOM 0 HE3 LYS A 98 -11.069 22.005 -14.770 1.00 53.23 H new ATOM 0 HZ1 LYS A 98 -12.239 23.903 -13.858 1.00 75.41 H new ATOM 0 HZ2 LYS A 98 -10.960 23.462 -12.831 1.00 75.41 H new ATOM 0 HZ3 LYS A 98 -10.811 24.822 -13.838 1.00 75.41 H new ATOM 1569 N GLU A 99 -4.528 21.893 -14.835 1.00 4.30 N ATOM 1570 CA GLU A 99 -3.629 22.311 -15.904 1.00 12.54 C ATOM 1571 C GLU A 99 -2.737 21.155 -16.349 1.00 54.13 C ATOM 1572 O GLU A 99 -2.166 21.182 -17.438 1.00 3.41 O ATOM 1573 CB GLU A 99 -2.767 23.488 -15.445 1.00 61.34 C ATOM 1574 CG GLU A 99 -3.420 24.842 -15.663 1.00 61.22 C ATOM 1575 CD GLU A 99 -2.509 25.821 -16.378 1.00 1.22 C ATOM 1576 OE1 GLU A 99 -1.552 26.312 -15.744 1.00 61.34 O ATOM 1577 OE2 GLU A 99 -2.752 26.095 -17.572 1.00 73.25 O ATOM 0 H GLU A 99 -4.328 22.312 -13.927 1.00 4.30 H new ATOM 0 HA GLU A 99 -4.237 22.625 -16.753 1.00 12.54 H new ATOM 0 HB2 GLU A 99 -2.540 23.370 -14.385 1.00 61.34 H new ATOM 0 HB3 GLU A 99 -1.817 23.462 -15.979 1.00 61.34 H new ATOM 0 HG2 GLU A 99 -4.333 24.711 -16.243 1.00 61.22 H new ATOM 0 HG3 GLU A 99 -3.711 25.260 -14.699 1.00 61.22 H new ATOM 1584 N ALA A 100 -2.622 20.143 -15.495 1.00 12.35 N ATOM 1585 CA ALA A 100 -1.801 18.977 -15.800 1.00 72.01 C ATOM 1586 C ALA A 100 -2.487 18.073 -16.818 1.00 44.33 C ATOM 1587 O ALA A 100 -1.833 17.288 -17.506 1.00 51.25 O ATOM 1588 CB ALA A 100 -1.492 18.202 -14.527 1.00 74.32 C ATOM 0 H ALA A 100 -3.086 20.107 -14.588 1.00 12.35 H new ATOM 0 HA ALA A 100 -0.865 19.327 -16.236 1.00 72.01 H new ATOM 0 HB1 ALA A 100 -0.879 17.334 -14.769 1.00 74.32 H new ATOM 0 HB2 ALA A 100 -0.953 18.845 -13.831 1.00 74.32 H new ATOM 0 HB3 ALA A 100 -2.423 17.871 -14.067 1.00 74.32 H new ATOM 1594 N LEU A 101 -3.808 18.188 -16.909 1.00 1.41 N ATOM 1595 CA LEU A 101 -4.582 17.379 -17.844 1.00 35.41 C ATOM 1596 C LEU A 101 -4.566 17.994 -19.239 1.00 22.42 C ATOM 1597 O LEU A 101 -4.544 17.281 -20.242 1.00 33.13 O ATOM 1598 CB LEU A 101 -6.025 17.240 -17.353 1.00 2.04 C ATOM 1599 CG LEU A 101 -6.732 15.933 -17.712 1.00 55.24 C ATOM 1600 CD1 LEU A 101 -6.754 15.733 -19.219 1.00 30.32 C ATOM 1601 CD2 LEU A 101 -6.055 14.755 -17.026 1.00 55.25 C ATOM 0 H LEU A 101 -4.364 18.833 -16.348 1.00 1.41 H new ATOM 0 HA LEU A 101 -4.124 16.391 -17.897 1.00 35.41 H new ATOM 0 HB2 LEU A 101 -6.031 17.347 -16.268 1.00 2.04 H new ATOM 0 HB3 LEU A 101 -6.607 18.068 -17.758 1.00 2.04 H new ATOM 0 HG LEU A 101 -7.762 15.991 -17.359 1.00 55.24 H new ATOM 0 HD11 LEU A 101 -7.261 14.797 -19.455 1.00 30.32 H new ATOM 0 HD12 LEU A 101 -7.284 16.562 -19.688 1.00 30.32 H new ATOM 0 HD13 LEU A 101 -5.732 15.696 -19.596 1.00 30.32 H new ATOM 0 HD21 LEU A 101 -6.571 13.833 -17.293 1.00 55.25 H new ATOM 0 HD22 LEU A 101 -5.015 14.695 -17.348 1.00 55.25 H new ATOM 0 HD23 LEU A 101 -6.093 14.892 -15.945 1.00 55.25 H new ATOM 1613 N ASP A 102 -4.573 19.322 -19.295 1.00 14.33 N ATOM 1614 CA ASP A 102 -4.555 20.033 -20.568 1.00 73.34 C ATOM 1615 C ASP A 102 -3.155 20.025 -21.176 1.00 73.32 C ATOM 1616 O ASP A 102 -2.984 19.752 -22.364 1.00 74.11 O ATOM 1617 CB ASP A 102 -5.034 21.474 -20.378 1.00 42.12 C ATOM 1618 CG ASP A 102 -5.295 22.176 -21.696 1.00 52.01 C ATOM 1619 OD1 ASP A 102 -4.342 22.317 -22.492 1.00 34.45 O ATOM 1620 OD2 ASP A 102 -6.452 22.582 -21.932 1.00 1.33 O ATOM 0 H ASP A 102 -4.591 19.927 -18.474 1.00 14.33 H new ATOM 0 HA ASP A 102 -5.231 19.520 -21.252 1.00 73.34 H new ATOM 0 HB2 ASP A 102 -5.947 21.475 -19.782 1.00 42.12 H new ATOM 0 HB3 ASP A 102 -4.285 22.031 -19.815 1.00 42.12 H new ATOM 1625 N LYS A 103 -2.157 20.327 -20.352 1.00 31.23 N ATOM 1626 CA LYS A 103 -0.773 20.356 -20.807 1.00 4.50 C ATOM 1627 C LYS A 103 -0.408 19.058 -21.522 1.00 35.21 C ATOM 1628 O LYS A 103 0.325 19.069 -22.511 1.00 41.22 O ATOM 1629 CB LYS A 103 0.170 20.579 -19.622 1.00 1.44 C ATOM 1630 CG LYS A 103 0.840 21.942 -19.627 1.00 4.23 C ATOM 1631 CD LYS A 103 0.078 22.942 -18.774 1.00 53.41 C ATOM 1632 CE LYS A 103 0.964 24.101 -18.347 1.00 60.34 C ATOM 1633 NZ LYS A 103 1.309 24.987 -19.493 1.00 10.11 N ATOM 0 H LYS A 103 -2.282 20.555 -19.366 1.00 31.23 H new ATOM 0 HA LYS A 103 -0.665 21.181 -21.511 1.00 4.50 H new ATOM 0 HB2 LYS A 103 -0.391 20.463 -18.695 1.00 1.44 H new ATOM 0 HB3 LYS A 103 0.938 19.806 -19.629 1.00 1.44 H new ATOM 0 HG2 LYS A 103 1.860 21.848 -19.255 1.00 4.23 H new ATOM 0 HG3 LYS A 103 0.907 22.312 -20.650 1.00 4.23 H new ATOM 0 HD2 LYS A 103 -0.776 23.323 -19.334 1.00 53.41 H new ATOM 0 HD3 LYS A 103 -0.318 22.441 -17.891 1.00 53.41 H new ATOM 0 HE2 LYS A 103 0.455 24.683 -17.578 1.00 60.34 H new ATOM 0 HE3 LYS A 103 1.879 23.713 -17.900 1.00 60.34 H new ATOM 0 HZ1 LYS A 103 1.914 25.765 -19.161 1.00 10.11 H new ATOM 0 HZ2 LYS A 103 1.817 24.438 -20.216 1.00 10.11 H new ATOM 0 HZ3 LYS A 103 0.437 25.378 -19.904 1.00 10.11 H new ATOM 1647 N ILE A 104 -0.926 17.944 -21.017 1.00 12.11 N ATOM 1648 CA ILE A 104 -0.657 16.639 -21.610 1.00 60.12 C ATOM 1649 C ILE A 104 -1.164 16.574 -23.046 1.00 1.41 C ATOM 1650 O ILE A 104 -0.528 15.972 -23.911 1.00 60.11 O ATOM 1651 CB ILE A 104 -1.308 15.506 -20.795 1.00 51.53 C ATOM 1652 CG1 ILE A 104 -0.582 15.326 -19.461 1.00 40.32 C ATOM 1653 CG2 ILE A 104 -1.298 14.209 -21.589 1.00 30.14 C ATOM 1654 CD1 ILE A 104 -1.332 14.455 -18.477 1.00 72.12 C ATOM 0 H ILE A 104 -1.534 17.918 -20.199 1.00 12.11 H new ATOM 0 HA ILE A 104 0.425 16.505 -21.603 1.00 60.12 H new ATOM 0 HB ILE A 104 -2.344 15.775 -20.590 1.00 51.53 H new ATOM 0 HG12 ILE A 104 0.399 14.889 -19.647 1.00 40.32 H new ATOM 0 HG13 ILE A 104 -0.415 16.305 -19.013 1.00 40.32 H new ATOM 0 HG21 ILE A 104 -1.761 13.418 -20.999 1.00 30.14 H new ATOM 0 HG22 ILE A 104 -1.856 14.345 -22.516 1.00 30.14 H new ATOM 0 HG23 ILE A 104 -0.270 13.933 -21.822 1.00 30.14 H new ATOM 0 HD11 ILE A 104 -0.758 14.372 -17.554 1.00 72.12 H new ATOM 0 HD12 ILE A 104 -2.303 14.902 -18.262 1.00 72.12 H new ATOM 0 HD13 ILE A 104 -1.476 13.463 -18.905 1.00 72.12 H new