USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 415 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 38 TYR OH : rot -96:sc= 1.17 USER MOD Set 1.2: A 47 ASN : amide:sc= -0.22 X(o=0.95,f=0.81) USER MOD Set 2.1: A 10 THR OG1 : rot 90:sc= -1.24 USER MOD Set 2.2: A 44 ASN : amide:sc= 0 X(o=-1.2,f=-1.4) USER MOD Single : A 6 SER OG : rot -37:sc= 0.0127 USER MOD Single : A 20 ASN : amide:sc= -1.58 K(o=-1.6,f=-7.4!) USER MOD Single : A 22 ASN : amide:sc= -2.61 K(o=-2.6,f=-6.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -171:sc=-0.00302 (180deg=-0.015) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -120:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.94 X(o=-1.9,f=-2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.257 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 6 47.553 9.678 9.032 1.00 0.00 N ATOM 77 CA SER A 6 48.928 9.100 8.974 1.00 0.00 C ATOM 78 C SER A 6 48.887 7.636 8.535 1.00 0.00 C ATOM 79 O SER A 6 49.656 6.819 9.010 1.00 0.00 O ATOM 80 CB SER A 6 49.465 9.223 10.400 1.00 0.00 C ATOM 81 OG SER A 6 48.827 8.258 11.228 1.00 0.00 O ATOM 0 HA SER A 6 49.558 9.617 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.544 9.070 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.282 10.226 10.784 1.00 0.00 H new ATOM 0 HG SER A 6 47.891 8.160 10.955 1.00 0.00 H new ATOM 87 N TRP A 7 48.003 7.296 7.630 1.00 0.00 N ATOM 88 CA TRP A 7 47.928 5.875 7.161 1.00 0.00 C ATOM 89 C TRP A 7 47.327 5.766 5.749 1.00 0.00 C ATOM 90 O TRP A 7 46.957 4.691 5.320 1.00 0.00 O ATOM 91 CB TRP A 7 47.056 5.129 8.186 1.00 0.00 C ATOM 92 CG TRP A 7 45.771 5.859 8.424 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.607 6.875 9.300 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.476 5.639 7.803 1.00 0.00 C ATOM 95 NE1 TRP A 7 44.293 7.300 9.250 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.554 6.568 8.342 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.017 4.735 6.832 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.223 6.596 7.930 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.679 4.759 6.415 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.782 5.689 6.962 1.00 0.00 C ATOM 0 H TRP A 7 47.335 7.934 7.198 1.00 0.00 H new ATOM 0 HA TRP A 7 48.926 5.443 7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.846 4.122 7.826 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.600 5.025 9.125 1.00 0.00 H new ATOM 0 HD1 TRP A 7 46.377 7.287 9.935 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.915 8.061 9.815 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.700 4.016 6.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.537 7.313 8.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.337 4.058 5.668 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.753 5.704 6.636 1.00 0.00 H new ATOM 111 N CYS A 8 47.253 6.849 5.009 1.00 0.00 N ATOM 112 CA CYS A 8 46.710 6.765 3.612 1.00 0.00 C ATOM 113 C CYS A 8 47.836 7.079 2.614 1.00 0.00 C ATOM 114 O CYS A 8 47.831 6.608 1.492 1.00 0.00 O ATOM 115 CB CYS A 8 45.581 7.809 3.517 1.00 0.00 C ATOM 116 SG CYS A 8 44.071 7.040 2.842 1.00 0.00 S ATOM 0 H CYS A 8 47.542 7.780 5.308 1.00 0.00 H new ATOM 0 HA CYS A 8 46.327 5.771 3.379 1.00 0.00 H new ATOM 0 HB2 CYS A 8 45.377 8.226 4.503 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.893 8.636 2.880 1.00 0.00 H new ATOM 121 N LEU A 9 48.805 7.863 3.026 1.00 0.00 N ATOM 122 CA LEU A 9 49.944 8.203 2.126 1.00 0.00 C ATOM 123 C LEU A 9 51.238 7.523 2.609 1.00 0.00 C ATOM 124 O LEU A 9 52.319 7.858 2.165 1.00 0.00 O ATOM 125 CB LEU A 9 50.080 9.723 2.229 1.00 0.00 C ATOM 126 CG LEU A 9 49.031 10.392 1.344 1.00 0.00 C ATOM 127 CD1 LEU A 9 49.017 11.896 1.626 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.376 10.154 -0.128 1.00 0.00 C ATOM 0 H LEU A 9 48.852 8.283 3.954 1.00 0.00 H new ATOM 0 HA LEU A 9 49.772 7.867 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.953 10.040 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 9 51.080 10.031 1.922 1.00 0.00 H new ATOM 0 HG LEU A 9 48.050 9.969 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 9 48.269 12.377 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.773 12.067 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.999 12.316 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 9 48.627 10.632 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.357 10.577 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.391 9.083 -0.330 1.00 0.00 H new ATOM 140 N THR A 10 51.137 6.576 3.517 1.00 0.00 N ATOM 141 CA THR A 10 52.364 5.885 4.026 1.00 0.00 C ATOM 142 C THR A 10 52.847 4.839 3.001 1.00 0.00 C ATOM 143 O THR A 10 52.042 4.308 2.261 1.00 0.00 O ATOM 144 CB THR A 10 51.931 5.204 5.336 1.00 0.00 C ATOM 145 OG1 THR A 10 53.031 4.496 5.889 1.00 0.00 O ATOM 146 CG2 THR A 10 50.781 4.224 5.074 1.00 0.00 C ATOM 0 H THR A 10 50.259 6.254 3.925 1.00 0.00 H new ATOM 0 HA THR A 10 53.191 6.577 4.187 1.00 0.00 H new ATOM 0 HB THR A 10 51.594 5.970 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 10 53.532 5.087 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.486 3.750 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.931 4.764 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 10 51.107 3.460 4.368 1.00 0.00 H new ATOM 154 N PRO A 11 54.145 4.560 2.969 1.00 0.00 N ATOM 155 CA PRO A 11 54.664 3.560 2.004 1.00 0.00 C ATOM 156 C PRO A 11 54.025 2.192 2.263 1.00 0.00 C ATOM 157 O PRO A 11 53.789 1.815 3.395 1.00 0.00 O ATOM 158 CB PRO A 11 56.168 3.541 2.303 1.00 0.00 C ATOM 159 CG PRO A 11 56.461 4.541 3.437 1.00 0.00 C ATOM 160 CD PRO A 11 55.147 5.203 3.866 1.00 0.00 C ATOM 0 HA PRO A 11 54.445 3.797 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.482 2.539 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.734 3.807 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.919 4.028 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 11 57.171 5.296 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.926 5.019 4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 11 55.176 6.284 3.731 1.00 0.00 H new ATOM 168 N ALA A 12 53.737 1.452 1.221 1.00 0.00 N ATOM 169 CA ALA A 12 53.103 0.106 1.401 1.00 0.00 C ATOM 170 C ALA A 12 53.989 -0.790 2.272 1.00 0.00 C ATOM 171 O ALA A 12 55.066 -1.187 1.868 1.00 0.00 O ATOM 172 CB ALA A 12 52.976 -0.477 -0.011 1.00 0.00 C ATOM 0 H ALA A 12 53.913 1.720 0.253 1.00 0.00 H new ATOM 0 HA ALA A 12 52.136 0.177 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.518 -1.465 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.354 0.178 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.965 -0.560 -0.461 1.00 0.00 H new ATOM 178 N ASP A 13 53.544 -1.109 3.462 1.00 0.00 N ATOM 179 CA ASP A 13 54.364 -1.980 4.358 1.00 0.00 C ATOM 180 C ASP A 13 54.535 -3.364 3.733 1.00 0.00 C ATOM 181 O ASP A 13 53.588 -4.117 3.602 1.00 0.00 O ATOM 182 CB ASP A 13 53.578 -2.088 5.663 1.00 0.00 C ATOM 183 CG ASP A 13 54.472 -2.714 6.734 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.564 -3.930 6.763 1.00 0.00 O ATOM 185 OD2 ASP A 13 55.052 -1.967 7.504 1.00 0.00 O ATOM 0 H ASP A 13 52.651 -0.805 3.850 1.00 0.00 H new ATOM 0 HA ASP A 13 55.360 -1.568 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 13 53.242 -1.101 5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.686 -2.696 5.515 1.00 0.00 H new ATOM 190 N ARG A 14 55.738 -3.700 3.351 1.00 0.00 N ATOM 191 CA ARG A 14 55.986 -5.034 2.734 1.00 0.00 C ATOM 192 C ARG A 14 57.300 -5.622 3.261 1.00 0.00 C ATOM 193 O ARG A 14 58.247 -5.805 2.520 1.00 0.00 O ATOM 194 CB ARG A 14 56.079 -4.756 1.233 1.00 0.00 C ATOM 195 CG ARG A 14 56.059 -6.077 0.462 1.00 0.00 C ATOM 196 CD ARG A 14 56.744 -5.886 -0.894 1.00 0.00 C ATOM 197 NE ARG A 14 58.140 -6.364 -0.689 1.00 0.00 N ATOM 198 CZ ARG A 14 59.114 -5.864 -1.400 1.00 0.00 C ATOM 199 NH1 ARG A 14 58.976 -5.725 -2.690 1.00 0.00 N ATOM 200 NH2 ARG A 14 60.227 -5.505 -0.821 1.00 0.00 N ATOM 0 H ARG A 14 56.562 -3.105 3.440 1.00 0.00 H new ATOM 0 HA ARG A 14 55.203 -5.756 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 14 55.247 -4.127 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.995 -4.208 1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 14 56.570 -6.852 1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.032 -6.411 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.241 -6.457 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 14 56.726 -4.841 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 14 58.335 -7.083 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 14 58.107 -6.007 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.737 -5.334 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 14 60.336 -5.615 0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 14 60.988 -5.114 -1.377 1.00 0.00 H new ATOM 214 N GLY A 15 57.365 -5.916 4.539 1.00 0.00 N ATOM 215 CA GLY A 15 58.620 -6.490 5.111 1.00 0.00 C ATOM 216 C GLY A 15 58.429 -6.821 6.596 1.00 0.00 C ATOM 217 O GLY A 15 58.918 -6.118 7.461 1.00 0.00 O ATOM 0 H GLY A 15 56.605 -5.783 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.897 -7.391 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.439 -5.780 4.993 1.00 0.00 H new ATOM 221 N LEU A 16 57.733 -7.892 6.899 1.00 0.00 N ATOM 222 CA LEU A 16 57.527 -8.274 8.333 1.00 0.00 C ATOM 223 C LEU A 16 57.247 -9.779 8.453 1.00 0.00 C ATOM 224 O LEU A 16 58.138 -10.554 8.742 1.00 0.00 O ATOM 225 CB LEU A 16 56.325 -7.449 8.805 1.00 0.00 C ATOM 226 CG LEU A 16 56.816 -6.210 9.570 1.00 0.00 C ATOM 227 CD1 LEU A 16 56.652 -4.965 8.695 1.00 0.00 C ATOM 228 CD2 LEU A 16 55.997 -6.039 10.852 1.00 0.00 C ATOM 0 H LEU A 16 57.300 -8.516 6.218 1.00 0.00 H new ATOM 0 HA LEU A 16 58.410 -8.075 8.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 55.722 -7.145 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.685 -8.055 9.447 1.00 0.00 H new ATOM 0 HG LEU A 16 57.868 -6.340 9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.001 -4.088 9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.237 -5.082 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.601 -4.837 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 16 56.347 -5.160 11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 16 54.945 -5.913 10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 56.115 -6.922 11.480 1.00 0.00 H new ATOM 240 N CYS A 17 56.027 -10.200 8.227 1.00 0.00 N ATOM 241 CA CYS A 17 55.711 -11.659 8.321 1.00 0.00 C ATOM 242 C CYS A 17 56.298 -12.373 7.099 1.00 0.00 C ATOM 243 O CYS A 17 57.111 -11.814 6.385 1.00 0.00 O ATOM 244 CB CYS A 17 54.174 -11.747 8.326 1.00 0.00 C ATOM 245 SG CYS A 17 53.600 -12.630 9.804 1.00 0.00 S ATOM 0 H CYS A 17 55.239 -9.600 7.983 1.00 0.00 H new ATOM 0 HA CYS A 17 56.130 -12.128 9.211 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.745 -10.745 8.303 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.829 -12.262 7.429 1.00 0.00 H new ATOM 250 N ARG A 18 55.896 -13.594 6.850 1.00 0.00 N ATOM 251 CA ARG A 18 56.434 -14.332 5.667 1.00 0.00 C ATOM 252 C ARG A 18 55.286 -14.980 4.888 1.00 0.00 C ATOM 253 O ARG A 18 55.215 -16.187 4.751 1.00 0.00 O ATOM 254 CB ARG A 18 57.374 -15.392 6.243 1.00 0.00 C ATOM 255 CG ARG A 18 58.565 -15.583 5.299 1.00 0.00 C ATOM 256 CD ARG A 18 59.411 -16.767 5.774 1.00 0.00 C ATOM 257 NE ARG A 18 60.181 -17.196 4.574 1.00 0.00 N ATOM 258 CZ ARG A 18 61.437 -17.535 4.688 1.00 0.00 C ATOM 259 NH1 ARG A 18 62.304 -16.689 5.174 1.00 0.00 N ATOM 260 NH2 ARG A 18 61.828 -18.722 4.312 1.00 0.00 N ATOM 0 H ARG A 18 55.220 -14.110 7.413 1.00 0.00 H new ATOM 0 HA ARG A 18 56.956 -13.675 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.723 -15.087 7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.842 -16.335 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.212 -15.759 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 18 59.171 -14.677 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.076 -16.476 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.783 -17.575 6.150 1.00 0.00 H new ATOM 0 HE ARG A 18 59.727 -17.225 3.661 1.00 0.00 H new ATOM 0 HH11 ARG A 18 62.001 -15.760 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 18 63.284 -16.957 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 18 61.153 -19.384 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 18 62.809 -18.988 4.401 1.00 0.00 H new ATOM 274 N ALA A 19 54.389 -14.175 4.377 1.00 0.00 N ATOM 275 CA ALA A 19 53.237 -14.719 3.600 1.00 0.00 C ATOM 276 C ALA A 19 53.068 -13.929 2.298 1.00 0.00 C ATOM 277 O ALA A 19 53.054 -12.712 2.300 1.00 0.00 O ATOM 278 CB ALA A 19 52.019 -14.528 4.508 1.00 0.00 C ATOM 0 H ALA A 19 54.406 -13.159 4.466 1.00 0.00 H new ATOM 0 HA ALA A 19 53.376 -15.765 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.128 -14.905 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 19 52.170 -15.075 5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.891 -13.468 4.727 1.00 0.00 H new ATOM 284 N ASN A 20 52.942 -14.614 1.191 1.00 0.00 N ATOM 285 CA ASN A 20 52.778 -13.908 -0.118 1.00 0.00 C ATOM 286 C ASN A 20 51.299 -13.592 -0.372 1.00 0.00 C ATOM 287 O ASN A 20 50.634 -14.258 -1.142 1.00 0.00 O ATOM 288 CB ASN A 20 53.322 -14.880 -1.175 1.00 0.00 C ATOM 289 CG ASN A 20 52.550 -16.207 -1.134 1.00 0.00 C ATOM 290 OD1 ASN A 20 51.652 -16.382 -0.334 1.00 0.00 O ATOM 291 ND2 ASN A 20 52.871 -17.158 -1.970 1.00 0.00 N ATOM 0 H ASN A 20 52.945 -15.632 1.135 1.00 0.00 H new ATOM 0 HA ASN A 20 53.308 -12.956 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.237 -14.434 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 20 54.382 -15.063 -0.998 1.00 0.00 H new ATOM 0 HD21 ASN A 20 52.368 -18.045 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 20 53.624 -17.013 -2.642 1.00 0.00 H new ATOM 298 N GLU A 21 50.783 -12.577 0.276 1.00 0.00 N ATOM 299 CA GLU A 21 49.347 -12.208 0.085 1.00 0.00 C ATOM 300 C GLU A 21 49.194 -11.256 -1.109 1.00 0.00 C ATOM 301 O GLU A 21 50.062 -11.166 -1.956 1.00 0.00 O ATOM 302 CB GLU A 21 48.941 -11.510 1.392 1.00 0.00 C ATOM 303 CG GLU A 21 47.967 -12.397 2.172 1.00 0.00 C ATOM 304 CD GLU A 21 46.586 -12.340 1.517 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.494 -12.667 0.345 1.00 0.00 O ATOM 306 OE2 GLU A 21 45.644 -11.970 2.198 1.00 0.00 O ATOM 0 H GLU A 21 51.296 -11.987 0.931 1.00 0.00 H new ATOM 0 HA GLU A 21 48.722 -13.076 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.825 -11.306 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.476 -10.549 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 21 48.330 -13.425 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 21 47.904 -12.063 3.207 1.00 0.00 H new ATOM 313 N ASN A 22 48.092 -10.553 -1.180 1.00 0.00 N ATOM 314 CA ASN A 22 47.864 -9.605 -2.313 1.00 0.00 C ATOM 315 C ASN A 22 46.938 -8.467 -1.862 1.00 0.00 C ATOM 316 O ASN A 22 45.772 -8.429 -2.208 1.00 0.00 O ATOM 317 CB ASN A 22 47.207 -10.447 -3.417 1.00 0.00 C ATOM 318 CG ASN A 22 45.896 -11.063 -2.911 1.00 0.00 C ATOM 319 OD1 ASN A 22 45.836 -11.594 -1.820 1.00 0.00 O ATOM 320 ND2 ASN A 22 44.836 -11.017 -3.668 1.00 0.00 N ATOM 0 H ASN A 22 47.335 -10.595 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 22 48.787 -9.142 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.011 -9.824 -4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 22 47.888 -11.236 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 22 43.960 -11.426 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 22 44.883 -10.572 -4.585 1.00 0.00 H new ATOM 327 N ARG A 23 47.451 -7.545 -1.086 1.00 0.00 N ATOM 328 CA ARG A 23 46.606 -6.412 -0.597 1.00 0.00 C ATOM 329 C ARG A 23 46.654 -5.238 -1.580 1.00 0.00 C ATOM 330 O ARG A 23 47.596 -5.084 -2.331 1.00 0.00 O ATOM 331 CB ARG A 23 47.222 -6.014 0.744 1.00 0.00 C ATOM 332 CG ARG A 23 46.989 -7.130 1.764 1.00 0.00 C ATOM 333 CD ARG A 23 45.569 -7.024 2.323 1.00 0.00 C ATOM 334 NE ARG A 23 45.691 -7.418 3.754 1.00 0.00 N ATOM 335 CZ ARG A 23 44.684 -7.981 4.365 1.00 0.00 C ATOM 336 NH1 ARG A 23 44.240 -9.139 3.959 1.00 0.00 N ATOM 337 NH2 ARG A 23 44.122 -7.386 5.382 1.00 0.00 N ATOM 0 H ARG A 23 48.420 -7.528 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 23 45.558 -6.694 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.290 -5.832 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.778 -5.084 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 23 47.134 -8.103 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.716 -7.055 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.180 -6.011 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.884 -7.682 1.789 1.00 0.00 H new ATOM 0 HE ARG A 23 46.562 -7.248 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 23 44.680 -9.604 3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 23 43.453 -9.579 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 23 44.470 -6.481 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 23 43.335 -7.826 5.859 1.00 0.00 H new ATOM 351 N PHE A 24 45.635 -4.414 -1.578 1.00 0.00 N ATOM 352 CA PHE A 24 45.603 -3.243 -2.506 1.00 0.00 C ATOM 353 C PHE A 24 46.205 -2.000 -1.834 1.00 0.00 C ATOM 354 O PHE A 24 45.620 -1.420 -0.939 1.00 0.00 O ATOM 355 CB PHE A 24 44.122 -3.036 -2.819 1.00 0.00 C ATOM 356 CG PHE A 24 43.734 -3.920 -3.980 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.295 -5.228 -3.745 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.817 -3.433 -5.290 1.00 0.00 C ATOM 359 CE1 PHE A 24 42.938 -6.050 -4.821 1.00 0.00 C ATOM 360 CE2 PHE A 24 43.460 -4.255 -6.365 1.00 0.00 C ATOM 361 CZ PHE A 24 43.021 -5.564 -6.131 1.00 0.00 C ATOM 0 H PHE A 24 44.821 -4.503 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 24 46.191 -3.413 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.516 -3.275 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.932 -1.991 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 24 43.232 -5.603 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 24 44.156 -2.424 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 24 42.599 -7.059 -4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 24 43.523 -3.880 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.747 -6.198 -6.961 1.00 0.00 H new ATOM 371 N TYR A 25 47.374 -1.594 -2.264 1.00 0.00 N ATOM 372 CA TYR A 25 48.038 -0.393 -1.665 1.00 0.00 C ATOM 373 C TYR A 25 47.643 0.879 -2.441 1.00 0.00 C ATOM 374 O TYR A 25 47.693 0.913 -3.654 1.00 0.00 O ATOM 375 CB TYR A 25 49.543 -0.706 -1.794 1.00 0.00 C ATOM 376 CG TYR A 25 50.395 0.531 -1.589 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.159 1.377 -0.499 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.424 0.823 -2.492 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.953 2.515 -0.314 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.218 1.959 -2.307 1.00 0.00 C ATOM 381 CZ TYR A 25 51.983 2.807 -1.218 1.00 0.00 C ATOM 382 OH TYR A 25 52.766 3.928 -1.034 1.00 0.00 O ATOM 0 H TYR A 25 47.902 -2.046 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 25 47.749 -0.205 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.821 -1.464 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.744 -1.126 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.365 1.152 0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.605 0.170 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.771 3.169 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 25 53.012 2.182 -3.004 1.00 0.00 H new ATOM 0 HH TYR A 25 53.434 3.982 -1.749 1.00 0.00 H new ATOM 392 N TYR A 26 47.269 1.925 -1.741 1.00 0.00 N ATOM 393 CA TYR A 26 46.890 3.198 -2.431 1.00 0.00 C ATOM 394 C TYR A 26 48.152 3.967 -2.836 1.00 0.00 C ATOM 395 O TYR A 26 48.865 4.483 -1.996 1.00 0.00 O ATOM 396 CB TYR A 26 46.089 4.002 -1.405 1.00 0.00 C ATOM 397 CG TYR A 26 45.576 5.265 -2.060 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.384 5.240 -2.796 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.298 6.458 -1.940 1.00 0.00 C ATOM 400 CE1 TYR A 26 43.916 6.407 -3.411 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.828 7.626 -2.553 1.00 0.00 C ATOM 402 CZ TYR A 26 44.638 7.601 -3.290 1.00 0.00 C ATOM 403 OH TYR A 26 44.177 8.751 -3.897 1.00 0.00 O ATOM 0 H TYR A 26 47.210 1.951 -0.723 1.00 0.00 H new ATOM 0 HA TYR A 26 46.312 3.013 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.256 3.408 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.716 4.250 -0.549 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.826 4.320 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.218 6.478 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 26 42.998 6.387 -3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.384 8.547 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 26 44.796 9.489 -3.713 1.00 0.00 H new ATOM 413 N ASN A 27 48.429 4.051 -4.112 1.00 0.00 N ATOM 414 CA ASN A 27 49.644 4.792 -4.570 1.00 0.00 C ATOM 415 C ASN A 27 49.381 6.301 -4.511 1.00 0.00 C ATOM 416 O ASN A 27 48.390 6.786 -5.026 1.00 0.00 O ATOM 417 CB ASN A 27 49.879 4.332 -6.016 1.00 0.00 C ATOM 418 CG ASN A 27 51.320 3.836 -6.173 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.549 2.671 -6.430 1.00 0.00 O ATOM 420 ND2 ASN A 27 52.307 4.677 -6.027 1.00 0.00 N ATOM 0 H ASN A 27 47.867 3.639 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 27 50.515 4.594 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.180 3.536 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.691 5.155 -6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 27 53.270 4.356 -6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 27 52.116 5.655 -5.811 1.00 0.00 H new ATOM 427 N SER A 28 50.258 7.041 -3.880 1.00 0.00 N ATOM 428 CA SER A 28 50.060 8.520 -3.773 1.00 0.00 C ATOM 429 C SER A 28 50.532 9.244 -5.043 1.00 0.00 C ATOM 430 O SER A 28 50.513 10.460 -5.104 1.00 0.00 O ATOM 431 CB SER A 28 50.909 8.944 -2.575 1.00 0.00 C ATOM 432 OG SER A 28 52.284 8.768 -2.888 1.00 0.00 O ATOM 0 H SER A 28 51.103 6.685 -3.434 1.00 0.00 H new ATOM 0 HA SER A 28 49.007 8.774 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.712 9.987 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.645 8.351 -1.699 1.00 0.00 H new ATOM 0 HG SER A 28 52.831 9.041 -2.122 1.00 0.00 H new ATOM 438 N VAL A 29 50.947 8.520 -6.057 1.00 0.00 N ATOM 439 CA VAL A 29 51.408 9.185 -7.313 1.00 0.00 C ATOM 440 C VAL A 29 50.306 9.106 -8.371 1.00 0.00 C ATOM 441 O VAL A 29 49.868 10.112 -8.898 1.00 0.00 O ATOM 442 CB VAL A 29 52.647 8.400 -7.758 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.221 9.021 -9.035 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.709 8.449 -6.656 1.00 0.00 C ATOM 0 H VAL A 29 50.985 7.501 -6.067 1.00 0.00 H new ATOM 0 HA VAL A 29 51.639 10.240 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 29 52.364 7.365 -7.950 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.102 8.460 -9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.470 8.988 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.500 10.057 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.589 7.890 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.987 9.485 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.308 8.006 -5.744 1.00 0.00 H new ATOM 454 N ILE A 30 49.854 7.918 -8.679 1.00 0.00 N ATOM 455 CA ILE A 30 48.775 7.768 -9.701 1.00 0.00 C ATOM 456 C ILE A 30 47.397 7.812 -9.030 1.00 0.00 C ATOM 457 O ILE A 30 46.415 8.187 -9.643 1.00 0.00 O ATOM 458 CB ILE A 30 49.025 6.412 -10.373 1.00 0.00 C ATOM 459 CG1 ILE A 30 48.962 5.283 -9.338 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.407 6.418 -11.028 1.00 0.00 C ATOM 461 CD1 ILE A 30 48.784 3.946 -10.060 1.00 0.00 C ATOM 0 H ILE A 30 50.185 7.045 -8.267 1.00 0.00 H new ATOM 0 HA ILE A 30 48.789 8.576 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 30 48.255 6.245 -11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 30 49.874 5.269 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.134 5.451 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.587 5.455 -11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.451 7.209 -11.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.169 6.594 -10.269 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.739 3.140 -9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.859 3.964 -10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.627 3.780 -10.731 1.00 0.00 H new ATOM 473 N GLY A 31 47.320 7.446 -7.773 1.00 0.00 N ATOM 474 CA GLY A 31 46.009 7.481 -7.056 1.00 0.00 C ATOM 475 C GLY A 31 45.349 6.098 -7.087 1.00 0.00 C ATOM 476 O GLY A 31 44.642 5.724 -6.170 1.00 0.00 O ATOM 0 H GLY A 31 48.110 7.124 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.160 7.797 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.352 8.216 -7.521 1.00 0.00 H new ATOM 480 N LYS A 32 45.567 5.342 -8.133 1.00 0.00 N ATOM 481 CA LYS A 32 44.942 3.984 -8.224 1.00 0.00 C ATOM 482 C LYS A 32 45.549 3.045 -7.178 1.00 0.00 C ATOM 483 O LYS A 32 46.727 3.112 -6.881 1.00 0.00 O ATOM 484 CB LYS A 32 45.259 3.487 -9.636 1.00 0.00 C ATOM 485 CG LYS A 32 44.278 4.112 -10.633 1.00 0.00 C ATOM 486 CD LYS A 32 43.112 3.146 -10.894 1.00 0.00 C ATOM 487 CE LYS A 32 43.243 2.540 -12.295 1.00 0.00 C ATOM 488 NZ LYS A 32 42.747 3.598 -13.219 1.00 0.00 N ATOM 0 H LYS A 32 46.150 5.604 -8.928 1.00 0.00 H new ATOM 0 HA LYS A 32 43.869 4.017 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 32 46.282 3.750 -9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 32 45.189 2.400 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 32 43.899 5.056 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 32 44.791 4.338 -11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 32 43.109 2.355 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 32 42.163 3.674 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 32 44.277 2.276 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.654 1.627 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.661 3.208 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.816 3.932 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.417 4.394 -13.227 1.00 0.00 H new ATOM 502 N CYS A 33 44.751 2.168 -6.624 1.00 0.00 N ATOM 503 CA CYS A 33 45.273 1.213 -5.598 1.00 0.00 C ATOM 504 C CYS A 33 45.996 0.052 -6.289 1.00 0.00 C ATOM 505 O CYS A 33 45.375 -0.825 -6.858 1.00 0.00 O ATOM 506 CB CYS A 33 44.030 0.713 -4.853 1.00 0.00 C ATOM 507 SG CYS A 33 44.373 0.618 -3.077 1.00 0.00 S ATOM 0 H CYS A 33 43.758 2.071 -6.838 1.00 0.00 H new ATOM 0 HA CYS A 33 45.990 1.677 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.191 1.385 -5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.740 -0.268 -5.229 1.00 0.00 H new ATOM 512 N ARG A 34 47.305 0.048 -6.248 1.00 0.00 N ATOM 513 CA ARG A 34 48.081 -1.045 -6.907 1.00 0.00 C ATOM 514 C ARG A 34 48.246 -2.250 -5.949 1.00 0.00 C ATOM 515 O ARG A 34 48.770 -2.080 -4.865 1.00 0.00 O ATOM 516 CB ARG A 34 49.444 -0.422 -7.215 1.00 0.00 C ATOM 517 CG ARG A 34 49.416 0.206 -8.611 1.00 0.00 C ATOM 518 CD ARG A 34 49.952 -0.796 -9.643 1.00 0.00 C ATOM 519 NE ARG A 34 48.857 -0.947 -10.642 1.00 0.00 N ATOM 520 CZ ARG A 34 48.781 -0.129 -11.656 1.00 0.00 C ATOM 521 NH1 ARG A 34 49.595 -0.265 -12.666 1.00 0.00 N ATOM 522 NH2 ARG A 34 47.892 0.827 -11.658 1.00 0.00 N ATOM 0 H ARG A 34 47.871 0.758 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 34 47.583 -1.421 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.686 0.335 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.223 -1.182 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.398 0.497 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.020 1.113 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 34 50.865 -0.429 -10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 34 50.195 -1.751 -9.176 1.00 0.00 H new ATOM 0 HE ARG A 34 48.167 -1.690 -10.533 1.00 0.00 H new ATOM 0 HH11 ARG A 34 50.291 -1.011 -12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 34 49.536 0.374 -13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 34 47.257 0.935 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 34 47.832 1.466 -12.450 1.00 0.00 H new ATOM 536 N PRO A 35 47.807 -3.438 -6.355 1.00 0.00 N ATOM 537 CA PRO A 35 47.946 -4.625 -5.472 1.00 0.00 C ATOM 538 C PRO A 35 49.425 -4.955 -5.230 1.00 0.00 C ATOM 539 O PRO A 35 50.228 -4.950 -6.143 1.00 0.00 O ATOM 540 CB PRO A 35 47.263 -5.736 -6.279 1.00 0.00 C ATOM 541 CG PRO A 35 46.755 -5.147 -7.607 1.00 0.00 C ATOM 542 CD PRO A 35 47.155 -3.670 -7.677 1.00 0.00 C ATOM 0 HA PRO A 35 47.510 -4.481 -4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.964 -6.548 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.433 -6.158 -5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.180 -5.693 -8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.672 -5.248 -7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.838 -3.475 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.289 -3.023 -7.819 1.00 0.00 H new ATOM 550 N PHE A 36 49.782 -5.258 -4.006 1.00 0.00 N ATOM 551 CA PHE A 36 51.200 -5.608 -3.696 1.00 0.00 C ATOM 552 C PHE A 36 51.236 -6.847 -2.784 1.00 0.00 C ATOM 553 O PHE A 36 50.318 -7.083 -2.018 1.00 0.00 O ATOM 554 CB PHE A 36 51.795 -4.355 -3.010 1.00 0.00 C ATOM 555 CG PHE A 36 51.325 -4.233 -1.572 1.00 0.00 C ATOM 556 CD1 PHE A 36 50.000 -3.887 -1.291 1.00 0.00 C ATOM 557 CD2 PHE A 36 52.222 -4.473 -0.525 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.570 -3.781 0.038 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.795 -4.366 0.803 1.00 0.00 C ATOM 560 CZ PHE A 36 50.468 -4.021 1.085 1.00 0.00 C ATOM 0 H PHE A 36 49.149 -5.278 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 36 51.780 -5.864 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.883 -4.407 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.506 -3.463 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.308 -3.701 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 36 53.245 -4.741 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.546 -3.514 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 36 52.489 -4.549 1.610 1.00 0.00 H new ATOM 0 HZ PHE A 36 50.137 -3.940 2.110 1.00 0.00 H new ATOM 570 N LYS A 37 52.277 -7.635 -2.866 1.00 0.00 N ATOM 571 CA LYS A 37 52.360 -8.856 -2.007 1.00 0.00 C ATOM 572 C LYS A 37 52.616 -8.460 -0.551 1.00 0.00 C ATOM 573 O LYS A 37 53.743 -8.262 -0.137 1.00 0.00 O ATOM 574 CB LYS A 37 53.528 -9.672 -2.568 1.00 0.00 C ATOM 575 CG LYS A 37 52.986 -10.762 -3.499 1.00 0.00 C ATOM 576 CD LYS A 37 54.114 -11.726 -3.877 1.00 0.00 C ATOM 577 CE LYS A 37 54.918 -11.142 -5.040 1.00 0.00 C ATOM 578 NZ LYS A 37 54.211 -11.604 -6.267 1.00 0.00 N ATOM 0 H LYS A 37 53.071 -7.487 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 37 51.434 -9.431 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.213 -9.021 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.095 -10.123 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.179 -11.306 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.565 -10.310 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.765 -11.894 -3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 37 53.700 -12.694 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 37 54.951 -10.054 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 37 55.950 -11.494 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 54.704 -11.243 -7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 54.201 -12.644 -6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 53.234 -11.248 -6.259 1.00 0.00 H new ATOM 592 N TYR A 38 51.569 -8.344 0.225 1.00 0.00 N ATOM 593 CA TYR A 38 51.726 -7.961 1.662 1.00 0.00 C ATOM 594 C TYR A 38 52.308 -9.130 2.459 1.00 0.00 C ATOM 595 O TYR A 38 51.907 -10.268 2.288 1.00 0.00 O ATOM 596 CB TYR A 38 50.309 -7.633 2.143 1.00 0.00 C ATOM 597 CG TYR A 38 50.346 -7.086 3.553 1.00 0.00 C ATOM 598 CD1 TYR A 38 51.228 -6.049 3.890 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.484 -7.611 4.523 1.00 0.00 C ATOM 600 CE1 TYR A 38 51.246 -5.540 5.194 1.00 0.00 C ATOM 601 CE2 TYR A 38 49.504 -7.104 5.827 1.00 0.00 C ATOM 602 CZ TYR A 38 50.383 -6.068 6.162 1.00 0.00 C ATOM 603 OH TYR A 38 50.398 -5.564 7.447 1.00 0.00 O ATOM 0 H TYR A 38 50.607 -8.499 -0.076 1.00 0.00 H new ATOM 0 HA TYR A 38 52.405 -7.118 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.851 -6.904 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.690 -8.529 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.894 -5.643 3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.803 -8.408 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.925 -4.741 5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.841 -7.512 6.575 1.00 0.00 H new ATOM 0 HH TYR A 38 50.976 -6.120 8.010 1.00 0.00 H new ATOM 613 N SER A 39 53.251 -8.856 3.324 1.00 0.00 N ATOM 614 CA SER A 39 53.868 -9.949 4.137 1.00 0.00 C ATOM 615 C SER A 39 52.811 -10.598 5.036 1.00 0.00 C ATOM 616 O SER A 39 52.649 -11.804 5.034 1.00 0.00 O ATOM 617 CB SER A 39 54.955 -9.270 4.970 1.00 0.00 C ATOM 618 OG SER A 39 56.021 -8.876 4.113 1.00 0.00 O ATOM 0 H SER A 39 53.621 -7.922 3.503 1.00 0.00 H new ATOM 0 HA SER A 39 54.282 -10.743 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.546 -8.401 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 39 55.322 -9.952 5.737 1.00 0.00 H new ATOM 0 HG SER A 39 56.848 -9.319 4.395 1.00 0.00 H new ATOM 624 N GLY A 40 52.083 -9.811 5.796 1.00 0.00 N ATOM 625 CA GLY A 40 51.028 -10.395 6.679 1.00 0.00 C ATOM 626 C GLY A 40 50.980 -9.670 8.027 1.00 0.00 C ATOM 627 O GLY A 40 50.699 -8.489 8.103 1.00 0.00 O ATOM 0 H GLY A 40 52.175 -8.796 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 40 50.057 -10.324 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 40 51.227 -11.455 6.838 1.00 0.00 H new ATOM 631 N CYS A 41 51.231 -10.389 9.093 1.00 0.00 N ATOM 632 CA CYS A 41 51.182 -9.780 10.461 1.00 0.00 C ATOM 633 C CYS A 41 52.056 -8.517 10.559 1.00 0.00 C ATOM 634 O CYS A 41 53.104 -8.425 9.952 1.00 0.00 O ATOM 635 CB CYS A 41 51.683 -10.885 11.419 1.00 0.00 C ATOM 636 SG CYS A 41 53.468 -11.187 11.212 1.00 0.00 S ATOM 0 H CYS A 41 51.470 -11.380 9.075 1.00 0.00 H new ATOM 0 HA CYS A 41 50.173 -9.452 10.712 1.00 0.00 H new ATOM 0 HB2 CYS A 41 51.479 -10.595 12.450 1.00 0.00 H new ATOM 0 HB3 CYS A 41 51.133 -11.807 11.232 1.00 0.00 H new ATOM 641 N GLY A 42 51.627 -7.560 11.340 1.00 0.00 N ATOM 642 CA GLY A 42 52.413 -6.301 11.521 1.00 0.00 C ATOM 643 C GLY A 42 52.342 -5.446 10.254 1.00 0.00 C ATOM 644 O GLY A 42 52.156 -5.950 9.164 1.00 0.00 O ATOM 0 H GLY A 42 50.755 -7.597 11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.023 -5.739 12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.452 -6.542 11.748 1.00 0.00 H new ATOM 648 N GLY A 43 52.494 -4.151 10.397 1.00 0.00 N ATOM 649 CA GLY A 43 52.443 -3.246 9.209 1.00 0.00 C ATOM 650 C GLY A 43 51.537 -2.050 9.507 1.00 0.00 C ATOM 651 O GLY A 43 51.059 -1.885 10.613 1.00 0.00 O ATOM 0 H GLY A 43 52.652 -3.682 11.289 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.446 -2.901 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.069 -3.790 8.342 1.00 0.00 H new ATOM 655 N ASN A 44 51.303 -1.213 8.526 1.00 0.00 N ATOM 656 CA ASN A 44 50.433 -0.020 8.747 1.00 0.00 C ATOM 657 C ASN A 44 48.958 -0.426 8.722 1.00 0.00 C ATOM 658 O ASN A 44 48.627 -1.596 8.679 1.00 0.00 O ATOM 659 CB ASN A 44 50.752 0.931 7.591 1.00 0.00 C ATOM 660 CG ASN A 44 52.183 1.451 7.742 1.00 0.00 C ATOM 661 OD1 ASN A 44 52.607 1.784 8.831 1.00 0.00 O ATOM 662 ND2 ASN A 44 52.950 1.534 6.690 1.00 0.00 N ATOM 0 H ASN A 44 51.678 -1.306 7.582 1.00 0.00 H new ATOM 0 HA ASN A 44 50.615 0.446 9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 44 50.640 0.414 6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 44 50.049 1.764 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 44 53.906 1.878 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.594 1.254 5.776 1.00 0.00 H new ATOM 669 N GLU A 45 48.073 0.537 8.753 1.00 0.00 N ATOM 670 CA GLU A 45 46.614 0.222 8.738 1.00 0.00 C ATOM 671 C GLU A 45 46.009 0.581 7.379 1.00 0.00 C ATOM 672 O GLU A 45 44.868 0.994 7.288 1.00 0.00 O ATOM 673 CB GLU A 45 46.014 1.091 9.844 1.00 0.00 C ATOM 674 CG GLU A 45 46.357 0.490 11.209 1.00 0.00 C ATOM 675 CD GLU A 45 45.382 1.020 12.262 1.00 0.00 C ATOM 676 OE1 GLU A 45 44.188 0.965 12.016 1.00 0.00 O ATOM 677 OE2 GLU A 45 45.846 1.472 13.296 1.00 0.00 O ATOM 0 H GLU A 45 48.299 1.531 8.788 1.00 0.00 H new ATOM 0 HA GLU A 45 46.416 -0.838 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.403 2.107 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 45 44.932 1.155 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 45 46.303 -0.598 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 45 47.380 0.747 11.484 1.00 0.00 H new ATOM 684 N ASN A 46 46.767 0.424 6.324 1.00 0.00 N ATOM 685 CA ASN A 46 46.244 0.751 4.965 1.00 0.00 C ATOM 686 C ASN A 46 46.237 -0.502 4.087 1.00 0.00 C ATOM 687 O ASN A 46 46.379 -0.424 2.882 1.00 0.00 O ATOM 688 CB ASN A 46 47.217 1.786 4.407 1.00 0.00 C ATOM 689 CG ASN A 46 46.616 2.433 3.158 1.00 0.00 C ATOM 690 OD1 ASN A 46 46.860 1.990 2.053 1.00 0.00 O ATOM 691 ND2 ASN A 46 45.834 3.469 3.286 1.00 0.00 N ATOM 0 H ASN A 46 47.728 0.083 6.346 1.00 0.00 H new ATOM 0 HA ASN A 46 45.221 1.125 4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.425 2.547 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.167 1.312 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.428 3.907 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 46 45.629 3.842 4.213 1.00 0.00 H new ATOM 698 N ASN A 47 46.077 -1.653 4.687 1.00 0.00 N ATOM 699 CA ASN A 47 46.061 -2.918 3.896 1.00 0.00 C ATOM 700 C ASN A 47 44.634 -3.245 3.450 1.00 0.00 C ATOM 701 O ASN A 47 43.873 -3.856 4.176 1.00 0.00 O ATOM 702 CB ASN A 47 46.584 -3.987 4.855 1.00 0.00 C ATOM 703 CG ASN A 47 48.085 -3.788 5.074 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.870 -3.944 4.160 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.519 -3.447 6.257 1.00 0.00 N ATOM 0 H ASN A 47 45.957 -1.771 5.693 1.00 0.00 H new ATOM 0 HA ASN A 47 46.666 -2.850 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 47 46.056 -3.926 5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.394 -4.980 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.518 -3.311 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.859 -3.316 7.024 1.00 0.00 H new ATOM 712 N PHE A 48 44.269 -2.841 2.260 1.00 0.00 N ATOM 713 CA PHE A 48 42.891 -3.123 1.755 1.00 0.00 C ATOM 714 C PHE A 48 42.863 -4.472 1.033 1.00 0.00 C ATOM 715 O PHE A 48 43.866 -4.931 0.519 1.00 0.00 O ATOM 716 CB PHE A 48 42.582 -1.984 0.781 1.00 0.00 C ATOM 717 CG PHE A 48 42.601 -0.664 1.518 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.613 -0.375 2.467 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.607 0.273 1.249 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.630 0.849 3.147 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.624 1.497 1.928 1.00 0.00 C ATOM 722 CZ PHE A 48 42.636 1.785 2.877 1.00 0.00 C ATOM 0 H PHE A 48 44.868 -2.326 1.614 1.00 0.00 H new ATOM 0 HA PHE A 48 42.158 -3.177 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.316 -1.972 -0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.606 -2.141 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.837 -1.097 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.370 0.051 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.868 1.071 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.399 2.219 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.650 2.729 3.401 1.00 0.00 H new ATOM 732 N THR A 49 41.720 -5.107 0.992 1.00 0.00 N ATOM 733 CA THR A 49 41.616 -6.428 0.302 1.00 0.00 C ATOM 734 C THR A 49 40.953 -6.263 -1.072 1.00 0.00 C ATOM 735 O THR A 49 41.146 -7.071 -1.961 1.00 0.00 O ATOM 736 CB THR A 49 40.756 -7.300 1.228 1.00 0.00 C ATOM 737 OG1 THR A 49 40.622 -8.596 0.661 1.00 0.00 O ATOM 738 CG2 THR A 49 39.367 -6.678 1.409 1.00 0.00 C ATOM 0 H THR A 49 40.853 -4.767 1.407 1.00 0.00 H new ATOM 0 HA THR A 49 42.593 -6.877 0.122 1.00 0.00 H new ATOM 0 HB THR A 49 41.241 -7.368 2.202 1.00 0.00 H new ATOM 0 HG1 THR A 49 40.075 -9.156 1.250 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.769 -7.308 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.467 -5.686 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.875 -6.598 0.440 1.00 0.00 H new ATOM 746 N SER A 50 40.174 -5.223 -1.248 1.00 0.00 N ATOM 747 CA SER A 50 39.497 -5.002 -2.562 1.00 0.00 C ATOM 748 C SER A 50 39.903 -3.645 -3.143 1.00 0.00 C ATOM 749 O SER A 50 40.764 -2.968 -2.613 1.00 0.00 O ATOM 750 CB SER A 50 38.002 -5.024 -2.245 1.00 0.00 C ATOM 751 OG SER A 50 37.754 -4.215 -1.102 1.00 0.00 O ATOM 0 H SER A 50 39.978 -4.518 -0.537 1.00 0.00 H new ATOM 0 HA SER A 50 39.768 -5.757 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.432 -4.654 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.672 -6.046 -2.060 1.00 0.00 H new ATOM 0 HG SER A 50 36.796 -4.225 -0.896 1.00 0.00 H new ATOM 757 N LYS A 51 39.290 -3.246 -4.229 1.00 0.00 N ATOM 758 CA LYS A 51 39.638 -1.932 -4.850 1.00 0.00 C ATOM 759 C LYS A 51 38.521 -0.914 -4.605 1.00 0.00 C ATOM 760 O LYS A 51 38.770 0.270 -4.474 1.00 0.00 O ATOM 761 CB LYS A 51 39.783 -2.221 -6.344 1.00 0.00 C ATOM 762 CG LYS A 51 40.472 -1.037 -7.023 1.00 0.00 C ATOM 763 CD LYS A 51 40.500 -1.257 -8.536 1.00 0.00 C ATOM 764 CE LYS A 51 41.172 -0.060 -9.213 1.00 0.00 C ATOM 765 NZ LYS A 51 40.483 0.074 -10.527 1.00 0.00 N ATOM 0 H LYS A 51 38.563 -3.774 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 51 40.549 -1.508 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.364 -3.131 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.803 -2.391 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.943 -0.113 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.488 -0.928 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.042 -2.173 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.486 -1.381 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 51 41.062 0.845 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 51 42.241 -0.228 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 40.889 0.875 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 40.610 -0.800 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 39.468 0.240 -10.372 1.00 0.00 H new ATOM 779 N GLN A 52 37.293 -1.365 -4.540 1.00 0.00 N ATOM 780 CA GLN A 52 36.157 -0.421 -4.300 1.00 0.00 C ATOM 781 C GLN A 52 36.276 0.197 -2.904 1.00 0.00 C ATOM 782 O GLN A 52 35.843 1.309 -2.670 1.00 0.00 O ATOM 783 CB GLN A 52 34.890 -1.272 -4.404 1.00 0.00 C ATOM 784 CG GLN A 52 33.739 -0.409 -4.925 1.00 0.00 C ATOM 785 CD GLN A 52 32.673 -1.305 -5.559 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.839 -1.776 -6.666 1.00 0.00 O ATOM 787 NE2 GLN A 52 31.577 -1.561 -4.898 1.00 0.00 N ATOM 0 H GLN A 52 37.028 -2.345 -4.643 1.00 0.00 H new ATOM 0 HA GLN A 52 36.148 0.400 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.059 -2.115 -5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.636 -1.686 -3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.305 0.168 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.111 0.307 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 52 31.438 -1.165 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.860 -2.157 -5.311 1.00 0.00 H new ATOM 796 N GLU A 53 36.866 -0.518 -1.979 1.00 0.00 N ATOM 797 CA GLU A 53 37.023 0.020 -0.594 1.00 0.00 C ATOM 798 C GLU A 53 38.216 0.978 -0.536 1.00 0.00 C ATOM 799 O GLU A 53 38.182 1.983 0.149 1.00 0.00 O ATOM 800 CB GLU A 53 37.274 -1.209 0.285 1.00 0.00 C ATOM 801 CG GLU A 53 36.479 -1.081 1.587 1.00 0.00 C ATOM 802 CD GLU A 53 37.221 -1.804 2.713 1.00 0.00 C ATOM 803 OE1 GLU A 53 38.426 -1.635 2.806 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.573 -2.515 3.463 1.00 0.00 O ATOM 0 H GLU A 53 37.246 -1.453 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 53 36.148 0.581 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.979 -2.114 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.338 -1.301 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.346 -0.030 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.484 -1.507 1.461 1.00 0.00 H new ATOM 811 N CYS A 54 39.270 0.673 -1.252 1.00 0.00 N ATOM 812 CA CYS A 54 40.474 1.564 -1.245 1.00 0.00 C ATOM 813 C CYS A 54 40.099 2.955 -1.765 1.00 0.00 C ATOM 814 O CYS A 54 40.447 3.961 -1.177 1.00 0.00 O ATOM 815 CB CYS A 54 41.486 0.886 -2.180 1.00 0.00 C ATOM 816 SG CYS A 54 43.017 1.857 -2.238 1.00 0.00 S ATOM 0 H CYS A 54 39.350 -0.155 -1.842 1.00 0.00 H new ATOM 0 HA CYS A 54 40.883 1.699 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.698 -0.124 -1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.065 0.794 -3.181 1.00 0.00 H new ATOM 821 N LEU A 55 39.391 3.012 -2.863 1.00 0.00 N ATOM 822 CA LEU A 55 38.986 4.334 -3.430 1.00 0.00 C ATOM 823 C LEU A 55 37.900 4.965 -2.557 1.00 0.00 C ATOM 824 O LEU A 55 37.943 6.138 -2.248 1.00 0.00 O ATOM 825 CB LEU A 55 38.442 4.018 -4.828 1.00 0.00 C ATOM 826 CG LEU A 55 39.608 3.738 -5.778 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.164 2.750 -6.860 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.053 5.046 -6.436 1.00 0.00 C ATOM 0 H LEU A 55 39.075 2.199 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 55 39.814 5.042 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.779 3.154 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.851 4.856 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 55 40.438 3.310 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.996 2.552 -7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.846 1.818 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.333 3.176 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 55 40.884 4.848 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.221 5.473 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.371 5.750 -5.667 1.00 0.00 H new ATOM 840 N ARG A 56 36.932 4.189 -2.149 1.00 0.00 N ATOM 841 CA ARG A 56 35.837 4.737 -1.290 1.00 0.00 C ATOM 842 C ARG A 56 36.389 5.211 0.060 1.00 0.00 C ATOM 843 O ARG A 56 35.715 5.910 0.794 1.00 0.00 O ATOM 844 CB ARG A 56 34.858 3.576 -1.095 1.00 0.00 C ATOM 845 CG ARG A 56 33.590 4.075 -0.388 1.00 0.00 C ATOM 846 CD ARG A 56 33.610 3.641 1.081 1.00 0.00 C ATOM 847 NE ARG A 56 33.404 2.166 1.048 1.00 0.00 N ATOM 848 CZ ARG A 56 32.306 1.650 1.529 1.00 0.00 C ATOM 849 NH1 ARG A 56 31.146 2.052 1.084 1.00 0.00 N ATOM 850 NH2 ARG A 56 32.367 0.732 2.454 1.00 0.00 N ATOM 0 H ARG A 56 36.850 3.197 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 56 35.357 5.601 -1.749 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.599 3.141 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.327 2.788 -0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.529 5.161 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.705 3.675 -0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 56 34.557 3.897 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.824 4.137 1.650 1.00 0.00 H new ATOM 0 HE ARG A 56 34.121 1.560 0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 56 31.098 2.769 0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 56 30.288 1.649 1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 56 33.273 0.417 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.509 0.329 2.830 1.00 0.00 H new ATOM 864 N ALA A 57 37.598 4.831 0.402 1.00 0.00 N ATOM 865 CA ALA A 57 38.175 5.255 1.710 1.00 0.00 C ATOM 866 C ALA A 57 39.067 6.495 1.550 1.00 0.00 C ATOM 867 O ALA A 57 38.745 7.563 2.040 1.00 0.00 O ATOM 868 CB ALA A 57 39.002 4.058 2.173 1.00 0.00 C ATOM 0 H ALA A 57 38.207 4.246 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 57 37.400 5.530 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.465 4.285 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.355 3.188 2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.778 3.846 1.438 1.00 0.00 H new ATOM 874 N CYS A 58 40.192 6.361 0.886 1.00 0.00 N ATOM 875 CA CYS A 58 41.112 7.536 0.720 1.00 0.00 C ATOM 876 C CYS A 58 40.543 8.543 -0.292 1.00 0.00 C ATOM 877 O CYS A 58 40.754 9.733 -0.160 1.00 0.00 O ATOM 878 CB CYS A 58 42.451 6.954 0.240 1.00 0.00 C ATOM 879 SG CYS A 58 43.830 7.868 1.007 1.00 0.00 S ATOM 0 H CYS A 58 40.513 5.495 0.454 1.00 0.00 H new ATOM 0 HA CYS A 58 41.233 8.085 1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.513 5.897 0.500 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.518 7.019 -0.846 1.00 0.00 H new ATOM 884 N LYS A 59 39.817 8.087 -1.289 1.00 0.00 N ATOM 885 CA LYS A 59 39.233 9.045 -2.282 1.00 0.00 C ATOM 886 C LYS A 59 37.843 9.496 -1.814 1.00 0.00 C ATOM 887 O LYS A 59 37.510 10.665 -1.860 1.00 0.00 O ATOM 888 CB LYS A 59 39.133 8.273 -3.597 1.00 0.00 C ATOM 889 CG LYS A 59 39.270 9.248 -4.767 1.00 0.00 C ATOM 890 CD LYS A 59 38.565 8.666 -5.991 1.00 0.00 C ATOM 891 CE LYS A 59 38.825 9.556 -7.211 1.00 0.00 C ATOM 892 NZ LYS A 59 37.705 9.256 -8.149 1.00 0.00 N ATOM 0 H LYS A 59 39.606 7.103 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 59 39.845 9.940 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.914 7.515 -3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.178 7.751 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.834 10.212 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 59 40.323 9.424 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 38.925 7.655 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 59 37.494 8.593 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 59 38.838 10.611 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.791 9.333 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 37.812 9.828 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 37.722 8.247 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 36.799 9.484 -7.692 1.00 0.00 H new ATOM 906 N LYS A 60 37.033 8.571 -1.356 1.00 0.00 N ATOM 907 CA LYS A 60 35.656 8.920 -0.869 1.00 0.00 C ATOM 908 C LYS A 60 34.881 9.709 -1.932 1.00 0.00 C ATOM 909 O LYS A 60 34.880 10.926 -1.935 1.00 0.00 O ATOM 910 CB LYS A 60 35.869 9.778 0.385 1.00 0.00 C ATOM 911 CG LYS A 60 34.808 9.425 1.432 1.00 0.00 C ATOM 912 CD LYS A 60 33.613 10.373 1.294 1.00 0.00 C ATOM 913 CE LYS A 60 33.996 11.762 1.812 1.00 0.00 C ATOM 914 NZ LYS A 60 33.084 12.703 1.101 1.00 0.00 N ATOM 0 H LYS A 60 37.267 7.580 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 60 35.071 8.026 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 60 36.866 9.607 0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 60 35.806 10.836 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 60 34.483 8.393 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 60 35.232 9.501 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 60 33.304 10.435 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 60 32.763 9.986 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 60 33.869 11.829 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 60 35.041 11.988 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 33.286 13.677 1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 33.232 12.622 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 32.097 12.468 1.328 1.00 0.00 H new