USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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: A2077 HIS : no HE2:sc= -6.39! C(o=-6.3!,f=-9.6!) USER MOD Set 1.2: A2079 THR OG1 : rot 180:sc= 0.0615 USER MOD Set 2.1: A2059 GLN : amide:sc= -1.52 K(o=-1.7,f=-4.5!) USER MOD Set 2.2: A2133 HIS : no HD1:sc= -0.136 X(o=-1.7,f=-1.8) USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A2058 GLN :FLIP amide:sc= -0.118 F(o=-3.1!,f=-0.12) USER MOD Single : A2060 GLN :FLIP amide:sc= -0.0505 F(o=-0.79,f=-0.051) USER MOD Single : A2061 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.1) USER MOD Single : A2062 THR OG1 : rot 60:sc= 1.09 USER MOD Single : A2065 THR OG1 : rot 82:sc= 0.644 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A2073 THR OG1 : rot 75:sc= 1.15 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A2082 SER OG : rot -48:sc= 0.579 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0.00281 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.56 USER MOD Single : A2104 ASN : amide:sc= -0.768 K(o=-0.77,f=-3.9!) USER MOD Single : A2105 THR OG1 : rot 76:sc= 0.327 USER MOD Single : A2107 THR OG1 : rot -36:sc= -0.508 USER MOD Single : A2108 HIS : no HD1:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.204 X(o=0.2,f=0) USER MOD Single : A2110 THR OG1 : rot -85:sc= -0.703 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A2122 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.64) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.682 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A2129 THR OG1 : rot 72:sc= 0.877 USER MOD Single : A2130 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.1!) USER MOD Single : A2131 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.022) USER MOD Single : A2134 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A2137 THR OG1 : rot -115:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.422 -7.149 4.162 1.00 0.67 N ATOM 151 CA PRO A2056 -13.416 -6.291 4.788 1.00 0.61 C ATOM 152 C PRO A2056 -11.997 -6.868 4.795 1.00 0.54 C ATOM 153 O PRO A2056 -11.057 -6.188 4.393 1.00 0.50 O ATOM 154 CB PRO A2056 -13.921 -6.144 6.225 1.00 0.71 C ATOM 155 CG PRO A2056 -15.315 -6.687 6.249 1.00 0.86 C ATOM 156 CD PRO A2056 -15.708 -7.000 4.838 1.00 0.81 C ATOM 0 HA PRO A2056 -13.318 -5.358 4.233 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.281 -6.690 6.918 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.907 -5.099 6.535 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.365 -7.583 6.867 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -16.001 -5.960 6.684 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.303 -7.911 4.778 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.304 -6.200 4.399 1.00 0.81 H new ATOM 164 N GLN A2057 -11.839 -8.111 5.242 1.00 0.58 N ATOM 165 CA GLN A2057 -10.520 -8.727 5.317 1.00 0.60 C ATOM 166 C GLN A2057 -9.914 -8.899 3.925 1.00 0.57 C ATOM 167 O GLN A2057 -8.732 -8.629 3.723 1.00 0.57 O ATOM 168 CB GLN A2057 -10.597 -10.081 6.023 1.00 0.71 C ATOM 169 CG GLN A2057 -9.256 -10.784 6.106 1.00 0.83 C ATOM 170 CD GLN A2057 -9.345 -12.167 6.717 1.00 1.19 C ATOM 171 OE1 GLN A2057 -10.204 -12.438 7.557 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.458 -13.056 6.297 1.00 1.95 N ATOM 0 H GLN A2057 -12.604 -8.708 5.556 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.876 -8.064 5.894 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.989 -9.937 7.030 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.304 -10.720 5.494 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.831 -10.863 5.105 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.570 -10.176 6.696 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.762 -12.792 5.599 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.471 -14.005 6.671 1.00 1.95 H new ATOM 181 N GLN A2058 -10.729 -9.341 2.970 1.00 0.59 N ATOM 182 CA GLN A2058 -10.289 -9.450 1.580 1.00 0.64 C ATOM 183 C GLN A2058 -9.876 -8.079 1.071 1.00 0.57 C ATOM 184 O GLN A2058 -8.885 -7.933 0.353 1.00 0.59 O ATOM 185 CB GLN A2058 -11.409 -9.991 0.690 1.00 0.75 C ATOM 186 CG GLN A2058 -11.867 -11.404 1.013 1.00 0.83 C ATOM 187 CD GLN A2058 -10.985 -12.489 0.409 1.00 0.99 C ATOM 188 OE1 GLN A2058 -9.696 -12.221 0.258 1.00 1.44 O flip ATOM 189 NE2 GLN A2058 -11.465 -13.572 0.079 1.00 1.60 N flip ATOM 0 H GLN A2058 -11.694 -9.629 3.132 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.446 -10.140 1.543 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.266 -9.322 0.765 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.073 -9.963 -0.347 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -11.892 -11.530 2.095 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -12.887 -11.536 0.654 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.461 -13.749 0.208 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.867 -14.294 -0.323 1.00 1.60 H new ATOM 198 N GLN A2059 -10.658 -7.079 1.454 1.00 0.54 N ATOM 199 CA GLN A2059 -10.363 -5.697 1.131 1.00 0.52 C ATOM 200 C GLN A2059 -9.012 -5.297 1.709 1.00 0.47 C ATOM 201 O GLN A2059 -8.239 -4.614 1.053 1.00 0.49 O ATOM 202 CB GLN A2059 -11.465 -4.782 1.666 1.00 0.57 C ATOM 203 CG GLN A2059 -12.821 -5.020 1.021 1.00 0.72 C ATOM 204 CD GLN A2059 -13.914 -4.177 1.644 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.847 -3.823 2.824 1.00 1.50 O ATOM 206 NE2 GLN A2059 -14.932 -3.856 0.863 1.00 1.19 N ATOM 0 H GLN A2059 -11.512 -7.206 1.996 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.321 -5.592 0.047 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.554 -4.926 2.743 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -11.173 -3.744 1.506 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.757 -4.798 -0.044 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.083 -6.074 1.112 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.949 -4.169 -0.108 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -15.700 -3.295 1.231 1.00 1.19 H new ATOM 215 N GLN A2060 -8.732 -5.740 2.936 1.00 0.44 N ATOM 216 CA GLN A2060 -7.432 -5.505 3.567 1.00 0.42 C ATOM 217 C GLN A2060 -6.328 -6.170 2.769 1.00 0.39 C ATOM 218 O GLN A2060 -5.356 -5.527 2.383 1.00 0.37 O ATOM 219 CB GLN A2060 -7.412 -6.046 4.996 1.00 0.45 C ATOM 220 CG GLN A2060 -8.506 -5.469 5.865 1.00 0.50 C ATOM 221 CD GLN A2060 -8.528 -6.031 7.274 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.370 -6.407 7.792 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.587 -6.116 7.899 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.389 -6.264 3.513 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.266 -4.428 3.592 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.513 -7.131 4.969 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.444 -5.827 5.447 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.383 -4.387 5.917 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.470 -5.658 5.393 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.460 -5.816 7.466 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.590 -6.486 8.849 1.00 0.95 H new ATOM 232 N GLN A2061 -6.501 -7.458 2.522 1.00 0.41 N ATOM 233 CA GLN A2061 -5.558 -8.239 1.731 1.00 0.42 C ATOM 234 C GLN A2061 -5.279 -7.582 0.390 1.00 0.43 C ATOM 235 O GLN A2061 -4.197 -7.717 -0.168 1.00 0.41 O ATOM 236 CB GLN A2061 -6.115 -9.628 1.513 1.00 0.51 C ATOM 237 CG GLN A2061 -6.175 -10.437 2.789 1.00 0.56 C ATOM 238 CD GLN A2061 -6.972 -11.718 2.638 1.00 0.67 C ATOM 239 OE1 GLN A2061 -8.179 -11.747 2.881 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.306 -12.785 2.234 1.00 1.32 N ATOM 0 H GLN A2061 -7.299 -7.994 2.863 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.617 -8.295 2.279 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -7.116 -9.552 1.088 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.498 -10.152 0.783 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.161 -10.681 3.107 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.619 -9.830 3.578 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.306 -12.720 2.043 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.792 -13.674 2.113 1.00 1.32 H new ATOM 249 N THR A2062 -6.274 -6.888 -0.115 1.00 0.49 N ATOM 250 CA THR A2062 -6.136 -6.098 -1.330 1.00 0.55 C ATOM 251 C THR A2062 -4.950 -5.125 -1.244 1.00 0.49 C ATOM 252 O THR A2062 -4.044 -5.181 -2.077 1.00 0.48 O ATOM 253 CB THR A2062 -7.427 -5.316 -1.622 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.514 -6.230 -1.829 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.262 -4.427 -2.842 1.00 0.77 C ATOM 0 H THR A2062 -7.205 -6.852 0.301 1.00 0.49 H new ATOM 0 HA THR A2062 -5.947 -6.796 -2.146 1.00 0.55 H new ATOM 0 HB THR A2062 -7.644 -4.681 -0.763 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.640 -6.776 -1.025 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.190 -3.885 -3.026 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.455 -3.715 -2.667 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.022 -5.041 -3.710 1.00 0.77 H new ATOM 263 N LEU A2063 -4.942 -4.250 -0.235 1.00 0.50 N ATOM 264 CA LEU A2063 -3.865 -3.297 -0.065 1.00 0.53 C ATOM 265 C LEU A2063 -2.648 -4.035 0.407 1.00 0.44 C ATOM 266 O LEU A2063 -1.527 -3.717 0.052 1.00 0.47 O ATOM 267 CB LEU A2063 -4.201 -2.262 0.996 1.00 0.69 C ATOM 268 CG LEU A2063 -5.647 -1.782 1.097 1.00 0.64 C ATOM 269 CD1 LEU A2063 -6.326 -1.641 -0.259 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.456 -2.631 2.058 1.00 1.22 C ATOM 0 H LEU A2063 -5.674 -4.189 0.472 1.00 0.50 H new ATOM 0 HA LEU A2063 -3.702 -2.797 -1.020 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -3.917 -2.673 1.965 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -3.571 -1.390 0.823 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.605 -0.775 1.513 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -7.351 -1.297 -0.119 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -5.780 -0.918 -0.866 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -6.334 -2.607 -0.764 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.479 -2.257 2.101 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.462 -3.665 1.713 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -6.009 -2.582 3.051 1.00 1.22 H new ATOM 282 N ALA A2064 -2.917 -5.025 1.222 1.00 0.39 N ATOM 283 CA ALA A2064 -1.890 -5.863 1.812 1.00 0.38 C ATOM 284 C ALA A2064 -1.009 -6.443 0.716 1.00 0.37 C ATOM 285 O ALA A2064 0.213 -6.481 0.818 1.00 0.51 O ATOM 286 CB ALA A2064 -2.554 -6.968 2.617 1.00 0.38 C ATOM 0 H ALA A2064 -3.865 -5.278 1.501 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.260 -5.272 2.477 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.789 -7.603 3.064 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.165 -6.527 3.404 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.185 -7.568 1.961 1.00 0.38 H new ATOM 292 N THR A2065 -1.674 -6.862 -0.343 1.00 0.28 N ATOM 293 CA THR A2065 -1.039 -7.383 -1.533 1.00 0.28 C ATOM 294 C THR A2065 -0.491 -6.255 -2.410 1.00 0.27 C ATOM 295 O THR A2065 0.626 -6.341 -2.917 1.00 0.25 O ATOM 296 CB THR A2065 -2.073 -8.204 -2.317 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.419 -9.383 -1.576 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.566 -8.591 -3.699 1.00 0.41 C ATOM 0 H THR A2065 -2.692 -6.848 -0.399 1.00 0.28 H new ATOM 0 HA THR A2065 -0.197 -8.011 -1.242 1.00 0.28 H new ATOM 0 HB THR A2065 -2.956 -7.580 -2.454 1.00 0.36 H new ATOM 0 HG1 THR A2065 -3.087 -9.157 -0.896 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.330 -9.170 -4.218 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.344 -7.690 -4.271 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.661 -9.190 -3.600 1.00 0.41 H new ATOM 306 N LEU A2066 -1.283 -5.200 -2.566 1.00 0.29 N ATOM 307 CA LEU A2066 -0.903 -4.039 -3.359 1.00 0.28 C ATOM 308 C LEU A2066 0.390 -3.436 -2.852 1.00 0.23 C ATOM 309 O LEU A2066 1.377 -3.333 -3.575 1.00 0.22 O ATOM 310 CB LEU A2066 -2.006 -2.996 -3.283 1.00 0.32 C ATOM 311 CG LEU A2066 -1.545 -1.601 -3.636 1.00 0.57 C ATOM 312 CD1 LEU A2066 -1.332 -1.465 -5.128 1.00 0.92 C ATOM 313 CD2 LEU A2066 -2.504 -0.553 -3.106 1.00 1.35 C ATOM 0 H LEU A2066 -2.209 -5.127 -2.145 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.756 -4.358 -4.391 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -2.814 -3.284 -3.956 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.419 -2.989 -2.274 1.00 0.32 H new ATOM 0 HG LEU A2066 -0.584 -1.430 -3.150 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -1.000 -0.452 -5.357 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -0.574 -2.177 -5.454 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.268 -1.667 -5.649 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -2.144 0.440 -3.377 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -3.492 -0.711 -3.539 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -2.567 -0.633 -2.021 1.00 1.35 H new ATOM 325 N VAL A2067 0.347 -3.032 -1.605 1.00 0.21 N ATOM 326 CA VAL A2067 1.474 -2.434 -0.927 1.00 0.18 C ATOM 327 C VAL A2067 2.713 -3.317 -1.034 1.00 0.16 C ATOM 328 O VAL A2067 3.825 -2.840 -1.276 1.00 0.17 O ATOM 329 CB VAL A2067 1.135 -2.202 0.560 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.366 -1.798 1.343 1.00 0.20 C ATOM 331 CG2 VAL A2067 0.044 -1.150 0.702 1.00 0.22 C ATOM 0 H VAL A2067 -0.486 -3.111 -1.022 1.00 0.21 H new ATOM 0 HA VAL A2067 1.686 -1.479 -1.408 1.00 0.18 H new ATOM 0 HB VAL A2067 0.767 -3.142 0.971 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.097 -1.641 2.388 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.115 -2.587 1.275 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.773 -0.875 0.930 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.182 -1.000 1.758 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.385 -0.211 0.267 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.854 -1.485 0.183 1.00 0.22 H new ATOM 341 N ALA A2068 2.504 -4.609 -0.867 1.00 0.15 N ATOM 342 CA ALA A2068 3.578 -5.573 -0.925 1.00 0.15 C ATOM 343 C ALA A2068 4.142 -5.680 -2.337 1.00 0.14 C ATOM 344 O ALA A2068 5.355 -5.647 -2.530 1.00 0.13 O ATOM 345 CB ALA A2068 3.064 -6.908 -0.426 1.00 0.17 C ATOM 0 H ALA A2068 1.586 -5.016 -0.688 1.00 0.15 H new ATOM 0 HA ALA A2068 4.398 -5.247 -0.285 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.867 -7.645 -0.465 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.717 -6.803 0.602 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.238 -7.238 -1.056 1.00 0.17 H new ATOM 351 N ALA A2069 3.254 -5.789 -3.320 1.00 0.17 N ATOM 352 CA ALA A2069 3.644 -5.829 -4.723 1.00 0.18 C ATOM 353 C ALA A2069 4.355 -4.542 -5.119 1.00 0.19 C ATOM 354 O ALA A2069 5.253 -4.542 -5.967 1.00 0.21 O ATOM 355 CB ALA A2069 2.424 -6.044 -5.609 1.00 0.23 C ATOM 0 H ALA A2069 2.248 -5.852 -3.166 1.00 0.17 H new ATOM 0 HA ALA A2069 4.331 -6.664 -4.861 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.733 -6.071 -6.654 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.946 -6.988 -5.347 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.718 -5.227 -5.461 1.00 0.23 H new ATOM 361 N ALA A2070 3.952 -3.448 -4.484 1.00 0.19 N ATOM 362 CA ALA A2070 4.526 -2.146 -4.747 1.00 0.21 C ATOM 363 C ALA A2070 6.000 -2.135 -4.393 1.00 0.20 C ATOM 364 O ALA A2070 6.833 -1.678 -5.176 1.00 0.23 O ATOM 365 CB ALA A2070 3.790 -1.074 -3.962 1.00 0.24 C ATOM 0 H ALA A2070 3.219 -3.445 -3.775 1.00 0.19 H new ATOM 0 HA ALA A2070 4.422 -1.933 -5.811 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.234 -0.101 -4.171 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.740 -1.064 -4.255 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.867 -1.287 -2.896 1.00 0.24 H new ATOM 371 N THR A2071 6.335 -2.661 -3.222 1.00 0.18 N ATOM 372 CA THR A2071 7.714 -2.623 -2.783 1.00 0.21 C ATOM 373 C THR A2071 8.473 -3.821 -3.318 1.00 0.21 C ATOM 374 O THR A2071 9.676 -3.766 -3.517 1.00 0.27 O ATOM 375 CB THR A2071 7.845 -2.481 -1.261 1.00 0.22 C ATOM 376 OG1 THR A2071 9.209 -2.308 -0.885 1.00 0.28 O ATOM 377 CG2 THR A2071 7.270 -3.669 -0.536 1.00 0.23 C ATOM 0 H THR A2071 5.685 -3.108 -2.576 1.00 0.18 H new ATOM 0 HA THR A2071 8.169 -1.724 -3.200 1.00 0.21 H new ATOM 0 HB THR A2071 7.276 -1.597 -0.974 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.271 -2.218 0.089 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.383 -3.529 0.539 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.212 -3.767 -0.780 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.798 -4.572 -0.841 1.00 0.23 H new ATOM 385 N ALA A2072 7.754 -4.888 -3.603 1.00 0.18 N ATOM 386 CA ALA A2072 8.306 -5.988 -4.374 1.00 0.22 C ATOM 387 C ALA A2072 8.919 -5.443 -5.657 1.00 0.26 C ATOM 388 O ALA A2072 10.031 -5.808 -6.036 1.00 0.31 O ATOM 389 CB ALA A2072 7.199 -6.974 -4.684 1.00 0.22 C ATOM 0 H ALA A2072 6.785 -5.019 -3.313 1.00 0.18 H new ATOM 0 HA ALA A2072 9.084 -6.498 -3.807 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.603 -7.804 -5.263 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.777 -7.352 -3.753 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.419 -6.476 -5.260 1.00 0.22 H new ATOM 395 N THR A2073 8.189 -4.541 -6.293 1.00 0.27 N ATOM 396 CA THR A2073 8.666 -3.851 -7.475 1.00 0.34 C ATOM 397 C THR A2073 9.790 -2.875 -7.118 1.00 0.37 C ATOM 398 O THR A2073 10.857 -2.877 -7.730 1.00 0.43 O ATOM 399 CB THR A2073 7.508 -3.073 -8.128 1.00 0.38 C ATOM 400 OG1 THR A2073 6.425 -3.966 -8.420 1.00 0.40 O ATOM 401 CG2 THR A2073 7.966 -2.380 -9.397 1.00 0.46 C ATOM 0 H THR A2073 7.250 -4.268 -6.003 1.00 0.27 H new ATOM 0 HA THR A2073 9.053 -4.595 -8.172 1.00 0.34 H new ATOM 0 HB THR A2073 7.169 -2.310 -7.427 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.959 -4.197 -7.590 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.129 -1.838 -9.838 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.767 -1.680 -9.160 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.331 -3.123 -10.106 1.00 0.46 H new ATOM 409 N VAL A2074 9.533 -2.058 -6.107 1.00 0.36 N ATOM 410 CA VAL A2074 10.424 -0.999 -5.689 1.00 0.41 C ATOM 411 C VAL A2074 11.808 -1.506 -5.234 1.00 0.47 C ATOM 412 O VAL A2074 12.824 -0.883 -5.542 1.00 0.56 O ATOM 413 CB VAL A2074 9.709 -0.211 -4.579 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.511 -0.114 -3.297 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.291 1.151 -5.075 1.00 0.37 C ATOM 0 H VAL A2074 8.682 -2.118 -5.547 1.00 0.36 H new ATOM 0 HA VAL A2074 10.640 -0.356 -6.542 1.00 0.41 H new ATOM 0 HB VAL A2074 8.814 -0.778 -4.324 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.947 0.455 -2.557 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.706 -1.115 -2.913 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.457 0.389 -3.497 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.787 1.691 -4.274 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.172 1.709 -5.391 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.611 1.038 -5.920 1.00 0.37 H new ATOM 425 N LEU A2075 11.855 -2.623 -4.507 1.00 0.43 N ATOM 426 CA LEU A2075 13.125 -3.167 -4.045 1.00 0.52 C ATOM 427 C LEU A2075 13.791 -3.964 -5.159 1.00 0.60 C ATOM 428 O LEU A2075 15.006 -4.159 -5.166 1.00 0.74 O ATOM 429 CB LEU A2075 12.917 -4.066 -2.820 1.00 0.49 C ATOM 430 CG LEU A2075 11.861 -3.575 -1.823 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.503 -4.669 -0.834 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.325 -2.328 -1.087 1.00 0.52 C ATOM 0 H LEU A2075 11.035 -3.162 -4.229 1.00 0.43 H new ATOM 0 HA LEU A2075 13.770 -2.335 -3.763 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.635 -5.061 -3.163 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.868 -4.167 -2.297 1.00 0.49 H new ATOM 0 HG LEU A2075 10.970 -3.315 -2.394 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.752 -4.298 -0.137 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.105 -5.529 -1.372 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.395 -4.967 -0.282 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.551 -2.009 -0.389 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.240 -2.549 -0.538 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.516 -1.531 -1.806 1.00 0.52 H new ATOM 444 N GLY A2076 12.978 -4.408 -6.112 1.00 0.57 N ATOM 445 CA GLY A2076 13.487 -5.159 -7.241 1.00 0.67 C ATOM 446 C GLY A2076 13.477 -6.654 -6.998 1.00 0.65 C ATOM 447 O GLY A2076 14.503 -7.316 -7.139 1.00 0.93 O ATOM 0 H GLY A2076 11.969 -4.259 -6.120 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.887 -4.934 -8.123 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.505 -4.837 -7.458 1.00 0.67 H new ATOM 451 N HIS A2077 12.321 -7.196 -6.633 1.00 0.51 N ATOM 452 CA HIS A2077 12.216 -8.632 -6.393 1.00 0.66 C ATOM 453 C HIS A2077 10.847 -9.184 -6.809 1.00 0.68 C ATOM 454 O HIS A2077 10.628 -10.395 -6.775 1.00 0.97 O ATOM 455 CB HIS A2077 12.545 -8.960 -4.928 1.00 0.81 C ATOM 456 CG HIS A2077 11.509 -8.609 -3.917 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.765 -9.555 -3.253 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.173 -7.421 -3.379 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.021 -8.961 -2.347 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.250 -7.662 -2.398 1.00 0.80 N ATOM 0 H HIS A2077 11.455 -6.674 -6.498 1.00 0.51 H new ATOM 0 HA HIS A2077 12.953 -9.131 -7.022 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.744 -10.029 -4.855 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.468 -8.445 -4.663 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.787 -10.558 -3.435 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.561 -6.456 -3.669 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.336 -9.454 -1.673 1.00 0.61 H new ATOM 469 N HIS A2078 9.941 -8.278 -7.186 1.00 0.62 N ATOM 470 CA HIS A2078 8.641 -8.614 -7.797 1.00 0.69 C ATOM 471 C HIS A2078 7.651 -9.336 -6.875 1.00 0.80 C ATOM 472 O HIS A2078 6.445 -9.112 -6.989 1.00 1.56 O ATOM 473 CB HIS A2078 8.821 -9.410 -9.091 1.00 0.81 C ATOM 474 CG HIS A2078 8.998 -8.539 -10.298 1.00 0.88 C ATOM 475 ND1 HIS A2078 7.981 -7.764 -10.819 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.080 -8.307 -11.078 1.00 0.96 C ATOM 477 CE1 HIS A2078 8.431 -7.096 -11.863 1.00 1.03 C ATOM 478 NE2 HIS A2078 9.699 -7.406 -12.043 1.00 1.05 N ATOM 0 H HIS A2078 10.087 -7.274 -7.076 1.00 0.62 H new ATOM 0 HA HIS A2078 8.192 -7.644 -8.012 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.688 -10.063 -8.991 1.00 0.81 H new ATOM 0 HB3 HIS A2078 7.953 -10.053 -9.239 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.059 -8.748 -10.963 1.00 0.96 H new ATOM 0 HE1 HIS A2078 7.857 -6.410 -12.469 1.00 1.03 H new ATOM 0 HE2 HIS A2078 10.300 -7.037 -12.780 1.00 1.05 H new ATOM 487 N THR A2079 8.120 -10.186 -5.972 1.00 0.64 N ATOM 488 CA THR A2079 7.204 -10.953 -5.141 1.00 0.67 C ATOM 489 C THR A2079 6.625 -10.157 -3.976 1.00 0.44 C ATOM 490 O THR A2079 7.353 -9.655 -3.127 1.00 0.54 O ATOM 491 CB THR A2079 7.831 -12.198 -4.549 1.00 1.02 C ATOM 492 OG1 THR A2079 9.127 -11.905 -4.006 1.00 1.82 O ATOM 493 CG2 THR A2079 7.923 -13.305 -5.568 1.00 0.59 C ATOM 0 H THR A2079 9.110 -10.360 -5.798 1.00 0.64 H new ATOM 0 HA THR A2079 6.411 -11.224 -5.838 1.00 0.67 H new ATOM 0 HB THR A2079 7.185 -12.541 -3.740 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.515 -12.721 -3.627 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.378 -14.184 -5.111 1.00 0.59 H new ATOM 0 HG22 THR A2079 6.924 -13.557 -5.923 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.534 -12.976 -6.408 1.00 0.59 H new ATOM 501 N PRO A2080 5.298 -10.065 -3.912 1.00 0.29 N ATOM 502 CA PRO A2080 4.578 -9.436 -2.811 1.00 0.32 C ATOM 503 C PRO A2080 4.358 -10.419 -1.667 1.00 0.45 C ATOM 504 O PRO A2080 4.081 -10.033 -0.533 1.00 0.51 O ATOM 505 CB PRO A2080 3.234 -9.048 -3.457 1.00 0.39 C ATOM 506 CG PRO A2080 3.385 -9.396 -4.903 1.00 0.39 C ATOM 507 CD PRO A2080 4.370 -10.521 -4.926 1.00 0.32 C ATOM 0 HA PRO A2080 5.113 -8.592 -2.377 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.406 -9.594 -3.004 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.025 -7.986 -3.326 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.432 -9.696 -5.339 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.745 -8.544 -5.479 1.00 0.39 H new ATOM 0 HD2 PRO A2080 3.915 -11.479 -4.673 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.843 -10.640 -5.901 1.00 0.32 H new ATOM 515 N GLU A2081 4.494 -11.699 -1.982 1.00 0.53 N ATOM 516 CA GLU A2081 4.349 -12.750 -0.992 1.00 0.64 C ATOM 517 C GLU A2081 5.605 -12.848 -0.136 1.00 0.56 C ATOM 518 O GLU A2081 5.578 -13.396 0.963 1.00 0.70 O ATOM 519 CB GLU A2081 4.058 -14.088 -1.675 1.00 0.84 C ATOM 520 CG GLU A2081 5.121 -14.513 -2.671 1.00 0.93 C ATOM 521 CD GLU A2081 4.775 -15.813 -3.361 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.210 -15.770 -4.472 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.062 -16.884 -2.790 1.00 1.45 O ATOM 0 H GLU A2081 4.706 -12.034 -2.922 1.00 0.53 H new ATOM 0 HA GLU A2081 3.508 -12.504 -0.343 1.00 0.64 H new ATOM 0 HB2 GLU A2081 3.959 -14.860 -0.912 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.099 -14.022 -2.188 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.249 -13.730 -3.419 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.076 -14.621 -2.156 1.00 0.93 H new ATOM 530 N SER A2082 6.705 -12.295 -0.642 1.00 0.43 N ATOM 531 CA SER A2082 7.958 -12.290 0.098 1.00 0.43 C ATOM 532 C SER A2082 8.108 -10.984 0.872 1.00 0.33 C ATOM 533 O SER A2082 9.211 -10.582 1.243 1.00 0.38 O ATOM 534 CB SER A2082 9.130 -12.483 -0.862 1.00 0.54 C ATOM 535 OG SER A2082 10.357 -12.642 -0.168 1.00 0.63 O ATOM 0 H SER A2082 6.751 -11.847 -1.557 1.00 0.43 H new ATOM 0 HA SER A2082 7.953 -13.114 0.812 1.00 0.43 H new ATOM 0 HB2 SER A2082 8.949 -13.358 -1.486 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.198 -11.624 -1.530 1.00 0.54 H new ATOM 0 HG SER A2082 10.441 -11.942 0.512 1.00 0.63 H new ATOM 541 N ILE A2083 6.982 -10.324 1.102 1.00 0.25 N ATOM 542 CA ILE A2083 6.955 -9.052 1.809 1.00 0.17 C ATOM 543 C ILE A2083 6.439 -9.246 3.229 1.00 0.15 C ATOM 544 O ILE A2083 5.267 -9.568 3.431 1.00 0.22 O ATOM 545 CB ILE A2083 6.050 -8.046 1.073 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.453 -7.966 -0.398 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.121 -6.665 1.720 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.739 -7.224 -0.637 1.00 0.22 C ATOM 0 H ILE A2083 6.064 -10.654 0.805 1.00 0.25 H new ATOM 0 HA ILE A2083 7.972 -8.662 1.844 1.00 0.17 H new ATOM 0 HB ILE A2083 5.020 -8.395 1.144 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.549 -8.977 -0.794 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.654 -7.479 -0.958 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.472 -5.976 1.179 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.794 -6.732 2.758 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.147 -6.299 1.686 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.958 -7.210 -1.705 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.642 -6.201 -0.273 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.551 -7.722 -0.107 1.00 0.22 H new ATOM 560 N SER A2084 7.321 -9.063 4.201 1.00 0.14 N ATOM 561 CA SER A2084 6.960 -9.200 5.602 1.00 0.14 C ATOM 562 C SER A2084 6.257 -7.940 6.102 1.00 0.12 C ATOM 563 O SER A2084 6.869 -6.877 6.187 1.00 0.12 O ATOM 564 CB SER A2084 8.213 -9.466 6.432 1.00 0.19 C ATOM 565 OG SER A2084 8.879 -10.634 5.974 1.00 0.28 O ATOM 0 H SER A2084 8.298 -8.818 4.042 1.00 0.14 H new ATOM 0 HA SER A2084 6.273 -10.040 5.707 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.885 -8.610 6.370 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.942 -9.583 7.481 1.00 0.19 H new ATOM 0 HG SER A2084 9.680 -10.788 6.517 1.00 0.28 H new ATOM 571 N PRO A2085 4.961 -8.047 6.439 1.00 0.12 N ATOM 572 CA PRO A2085 4.160 -6.904 6.881 1.00 0.12 C ATOM 573 C PRO A2085 4.608 -6.349 8.215 1.00 0.12 C ATOM 574 O PRO A2085 4.411 -5.169 8.503 1.00 0.13 O ATOM 575 CB PRO A2085 2.747 -7.462 7.013 1.00 0.15 C ATOM 576 CG PRO A2085 2.912 -8.939 7.138 1.00 0.15 C ATOM 577 CD PRO A2085 4.174 -9.293 6.402 1.00 0.14 C ATOM 0 HA PRO A2085 4.248 -6.078 6.175 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.242 -7.048 7.886 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.141 -7.207 6.143 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.978 -9.234 8.185 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.056 -9.462 6.713 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.702 -10.115 6.885 1.00 0.14 H new ATOM 0 HD3 PRO A2085 3.967 -9.605 5.379 1.00 0.14 H new ATOM 585 N ALA A2086 5.195 -7.206 9.029 1.00 0.11 N ATOM 586 CA ALA A2086 5.618 -6.804 10.360 1.00 0.12 C ATOM 587 C ALA A2086 6.909 -5.998 10.314 1.00 0.11 C ATOM 588 O ALA A2086 7.146 -5.140 11.167 1.00 0.14 O ATOM 589 CB ALA A2086 5.785 -8.017 11.254 1.00 0.14 C ATOM 0 H ALA A2086 5.390 -8.180 8.795 1.00 0.11 H new ATOM 0 HA ALA A2086 4.839 -6.165 10.776 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.102 -7.697 12.246 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.835 -8.547 11.330 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.538 -8.681 10.829 1.00 0.14 H new ATOM 595 N THR A2087 7.744 -6.277 9.326 1.00 0.10 N ATOM 596 CA THR A2087 8.962 -5.522 9.143 1.00 0.11 C ATOM 597 C THR A2087 8.630 -4.167 8.566 1.00 0.10 C ATOM 598 O THR A2087 7.694 -4.015 7.781 1.00 0.10 O ATOM 599 CB THR A2087 9.945 -6.220 8.196 1.00 0.14 C ATOM 600 OG1 THR A2087 10.174 -7.569 8.625 1.00 0.16 O ATOM 601 CG2 THR A2087 11.272 -5.462 8.113 1.00 0.16 C ATOM 0 H THR A2087 7.597 -7.020 8.643 1.00 0.10 H new ATOM 0 HA THR A2087 9.434 -5.432 10.121 1.00 0.11 H new ATOM 0 HB THR A2087 9.500 -6.231 7.201 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.802 -8.005 8.012 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.947 -5.983 7.434 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.092 -4.453 7.743 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.724 -5.410 9.104 1.00 0.16 H new ATOM 609 N ALA A2088 9.409 -3.200 8.951 1.00 0.12 N ATOM 610 CA ALA A2088 9.223 -1.851 8.482 1.00 0.12 C ATOM 611 C ALA A2088 9.891 -1.685 7.139 1.00 0.11 C ATOM 612 O ALA A2088 10.944 -2.273 6.887 1.00 0.12 O ATOM 613 CB ALA A2088 9.767 -0.855 9.484 1.00 0.15 C ATOM 0 H ALA A2088 10.190 -3.319 9.597 1.00 0.12 H new ATOM 0 HA ALA A2088 8.156 -1.658 8.370 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.616 0.157 9.109 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.245 -0.972 10.434 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.832 -1.032 9.631 1.00 0.15 H new ATOM 619 N PHE A2089 9.263 -0.902 6.281 1.00 0.10 N ATOM 620 CA PHE A2089 9.768 -0.663 4.930 1.00 0.09 C ATOM 621 C PHE A2089 11.235 -0.280 4.930 1.00 0.09 C ATOM 622 O PHE A2089 11.987 -0.690 4.046 1.00 0.12 O ATOM 623 CB PHE A2089 8.966 0.436 4.257 1.00 0.09 C ATOM 624 CG PHE A2089 7.666 -0.039 3.699 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.639 -0.920 2.638 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.471 0.402 4.237 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.440 -1.353 2.121 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.269 -0.030 3.722 1.00 0.12 C ATOM 629 CZ PHE A2089 5.261 -0.929 2.668 1.00 0.10 C ATOM 0 H PHE A2089 8.393 -0.414 6.494 1.00 0.10 H new ATOM 0 HA PHE A2089 9.660 -1.597 4.378 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.775 1.231 4.978 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.561 0.871 3.454 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.566 -1.272 2.210 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.480 1.091 5.068 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.430 -2.030 1.280 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.339 0.330 4.137 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.323 -1.295 2.278 1.00 0.10 H new ATOM 639 N LYS A2090 11.627 0.519 5.909 1.00 0.12 N ATOM 640 CA LYS A2090 13.015 0.869 6.104 1.00 0.16 C ATOM 641 C LYS A2090 13.890 -0.374 6.075 1.00 0.17 C ATOM 642 O LYS A2090 14.743 -0.534 5.201 1.00 0.20 O ATOM 643 CB LYS A2090 13.181 1.553 7.453 1.00 0.21 C ATOM 644 CG LYS A2090 14.623 1.815 7.816 1.00 0.29 C ATOM 645 CD LYS A2090 15.233 2.786 6.844 1.00 0.38 C ATOM 646 CE LYS A2090 16.234 2.108 5.940 1.00 1.54 C ATOM 647 NZ LYS A2090 16.849 3.056 4.972 1.00 1.69 N ATOM 0 H LYS A2090 10.991 0.939 6.586 1.00 0.12 H new ATOM 0 HA LYS A2090 13.318 1.539 5.300 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.639 2.498 7.442 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.726 0.933 8.225 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.684 2.215 8.828 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.184 0.880 7.808 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.447 3.242 6.242 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.723 3.591 7.391 1.00 0.38 H new ATOM 0 HE2 LYS A2090 17.017 1.651 6.545 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.742 1.303 5.395 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.529 2.547 4.372 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.106 3.474 4.376 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 17.342 3.811 5.491 1.00 1.69 H new ATOM 661 N ASP A2091 13.654 -1.248 7.041 1.00 0.17 N ATOM 662 CA ASP A2091 14.418 -2.480 7.177 1.00 0.20 C ATOM 663 C ASP A2091 14.330 -3.324 5.905 1.00 0.20 C ATOM 664 O ASP A2091 15.269 -4.034 5.548 1.00 0.32 O ATOM 665 CB ASP A2091 13.912 -3.282 8.377 1.00 0.24 C ATOM 666 CG ASP A2091 14.838 -4.420 8.755 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.672 -5.536 8.222 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.730 -4.204 9.600 1.00 1.15 O ATOM 0 H ASP A2091 12.931 -1.125 7.750 1.00 0.17 H new ATOM 0 HA ASP A2091 15.463 -2.216 7.338 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.796 -2.615 9.231 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.924 -3.683 8.150 1.00 0.24 H new ATOM 673 N LEU A2092 13.203 -3.212 5.217 1.00 0.16 N ATOM 674 CA LEU A2092 12.953 -3.961 3.993 1.00 0.18 C ATOM 675 C LEU A2092 13.764 -3.428 2.809 1.00 0.19 C ATOM 676 O LEU A2092 13.936 -4.125 1.808 1.00 0.24 O ATOM 677 CB LEU A2092 11.455 -3.932 3.688 1.00 0.17 C ATOM 678 CG LEU A2092 10.605 -4.652 4.732 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.124 -4.411 4.528 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.898 -6.133 4.697 1.00 0.23 C ATOM 0 H LEU A2092 12.435 -2.599 5.491 1.00 0.16 H new ATOM 0 HA LEU A2092 13.278 -4.990 4.148 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.127 -2.895 3.617 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.282 -4.388 2.713 1.00 0.17 H new ATOM 0 HG LEU A2092 10.869 -4.246 5.709 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.560 -4.943 5.294 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.916 -3.343 4.600 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.829 -4.773 3.543 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.289 -6.642 5.444 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.664 -6.527 3.708 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.953 -6.300 4.914 1.00 0.23 H new ATOM 692 N GLY A2093 14.266 -2.206 2.919 1.00 0.16 N ATOM 693 CA GLY A2093 15.125 -1.677 1.878 1.00 0.18 C ATOM 694 C GLY A2093 14.606 -0.393 1.262 1.00 0.15 C ATOM 695 O GLY A2093 15.193 0.115 0.307 1.00 0.20 O ATOM 0 H GLY A2093 14.096 -1.576 3.703 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.117 -1.497 2.293 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.238 -2.427 1.095 1.00 0.18 H new ATOM 699 N ILE A2094 13.509 0.127 1.791 1.00 0.13 N ATOM 700 CA ILE A2094 12.911 1.342 1.269 1.00 0.12 C ATOM 701 C ILE A2094 13.755 2.590 1.537 1.00 0.12 C ATOM 702 O ILE A2094 14.190 2.842 2.667 1.00 0.16 O ATOM 703 CB ILE A2094 11.496 1.513 1.851 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.529 0.617 1.085 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.050 2.965 1.827 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.172 1.143 -0.282 1.00 0.32 C ATOM 0 H ILE A2094 13.014 -0.278 2.586 1.00 0.13 H new ATOM 0 HA ILE A2094 12.858 1.236 0.185 1.00 0.12 H new ATOM 0 HB ILE A2094 11.506 1.212 2.899 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.971 -0.374 0.980 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.616 0.499 1.669 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.047 3.044 2.246 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.739 3.567 2.419 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.044 3.327 0.799 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.481 0.454 -0.768 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.701 2.121 -0.184 1.00 0.32 H new ATOM 0 HD13 ILE A2094 11.076 1.235 -0.884 1.00 0.32 H new ATOM 718 N ASP A2095 13.983 3.362 0.477 1.00 0.15 N ATOM 719 CA ASP A2095 14.632 4.661 0.587 1.00 0.19 C ATOM 720 C ASP A2095 13.582 5.752 0.417 1.00 0.16 C ATOM 721 O ASP A2095 12.419 5.444 0.174 1.00 0.17 O ATOM 722 CB ASP A2095 15.732 4.829 -0.470 1.00 0.28 C ATOM 723 CG ASP A2095 16.891 3.869 -0.284 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.770 4.147 0.561 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.921 2.822 -0.964 1.00 1.86 O ATOM 0 H ASP A2095 13.724 3.105 -0.475 1.00 0.15 H new ATOM 0 HA ASP A2095 15.100 4.736 1.568 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.301 4.681 -1.460 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.107 5.852 -0.436 1.00 0.28 H new ATOM 730 N SER A2096 13.976 7.011 0.526 1.00 0.19 N ATOM 731 CA SER A2096 13.028 8.118 0.416 1.00 0.20 C ATOM 732 C SER A2096 12.341 8.130 -0.951 1.00 0.17 C ATOM 733 O SER A2096 11.127 8.324 -1.052 1.00 0.20 O ATOM 734 CB SER A2096 13.748 9.444 0.664 1.00 0.26 C ATOM 735 OG SER A2096 14.951 9.520 -0.085 1.00 1.32 O ATOM 0 H SER A2096 14.942 7.295 0.690 1.00 0.19 H new ATOM 0 HA SER A2096 12.255 7.982 1.172 1.00 0.20 H new ATOM 0 HB2 SER A2096 13.094 10.273 0.393 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.970 9.548 1.726 1.00 0.26 H new ATOM 0 HG SER A2096 15.392 10.378 0.090 1.00 1.32 H new ATOM 741 N LEU A2097 13.131 7.903 -1.990 1.00 0.17 N ATOM 742 CA LEU A2097 12.663 7.861 -3.350 1.00 0.19 C ATOM 743 C LEU A2097 11.637 6.768 -3.533 1.00 0.18 C ATOM 744 O LEU A2097 10.533 7.007 -4.003 1.00 0.24 O ATOM 745 CB LEU A2097 13.876 7.575 -4.204 1.00 0.23 C ATOM 746 CG LEU A2097 13.800 8.010 -5.645 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.379 9.465 -5.732 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.157 7.809 -6.274 1.00 1.55 C ATOM 0 H LEU A2097 14.134 7.741 -1.900 1.00 0.17 H new ATOM 0 HA LEU A2097 12.186 8.801 -3.625 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.738 8.060 -3.746 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.064 6.502 -4.181 1.00 0.23 H new ATOM 0 HG LEU A2097 13.057 7.416 -6.178 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.328 9.767 -6.778 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.399 9.589 -5.270 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.107 10.086 -5.210 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.123 8.118 -7.319 1.00 1.55 H new ATOM 0 HD22 LEU A2097 15.897 8.407 -5.742 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.432 6.756 -6.216 1.00 1.55 H new ATOM 760 N THR A2098 12.007 5.570 -3.155 1.00 0.14 N ATOM 761 CA THR A2098 11.120 4.444 -3.301 1.00 0.15 C ATOM 762 C THR A2098 9.939 4.490 -2.347 1.00 0.16 C ATOM 763 O THR A2098 8.881 3.930 -2.640 1.00 0.17 O ATOM 764 CB THR A2098 11.857 3.119 -3.185 1.00 0.15 C ATOM 765 OG1 THR A2098 13.004 3.266 -2.337 1.00 0.17 O ATOM 766 CG2 THR A2098 12.266 2.663 -4.569 1.00 0.19 C ATOM 0 H THR A2098 12.915 5.350 -2.745 1.00 0.14 H new ATOM 0 HA THR A2098 10.716 4.519 -4.310 1.00 0.15 H new ATOM 0 HB THR A2098 11.204 2.369 -2.739 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.471 2.407 -2.267 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.796 1.713 -4.497 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.378 2.537 -5.188 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.920 3.410 -5.020 1.00 0.19 H new ATOM 774 N ALA A2099 10.109 5.152 -1.212 1.00 0.16 N ATOM 775 CA ALA A2099 8.990 5.429 -0.324 1.00 0.18 C ATOM 776 C ALA A2099 7.951 6.264 -1.060 1.00 0.21 C ATOM 777 O ALA A2099 6.763 6.257 -0.737 1.00 0.24 O ATOM 778 CB ALA A2099 9.465 6.156 0.924 1.00 0.18 C ATOM 0 H ALA A2099 11.008 5.506 -0.885 1.00 0.16 H new ATOM 0 HA ALA A2099 8.540 4.485 -0.016 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.614 6.354 1.576 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.190 5.537 1.452 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.932 7.099 0.640 1.00 0.18 H new ATOM 784 N LEU A2100 8.420 6.960 -2.080 1.00 0.20 N ATOM 785 CA LEU A2100 7.578 7.796 -2.899 1.00 0.24 C ATOM 786 C LEU A2100 7.029 6.967 -4.059 1.00 0.20 C ATOM 787 O LEU A2100 5.867 7.106 -4.438 1.00 0.21 O ATOM 788 CB LEU A2100 8.397 9.010 -3.375 1.00 0.30 C ATOM 789 CG LEU A2100 8.361 9.313 -4.871 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.042 9.959 -5.256 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.526 10.201 -5.262 1.00 1.15 C ATOM 0 H LEU A2100 9.401 6.957 -2.360 1.00 0.20 H new ATOM 0 HA LEU A2100 6.725 8.173 -2.335 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.043 9.891 -2.840 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.436 8.856 -3.083 1.00 0.30 H new ATOM 0 HG LEU A2100 8.450 8.372 -5.413 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.037 10.167 -6.326 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.222 9.283 -5.014 1.00 1.03 H new ATOM 0 HD13 LEU A2100 6.919 10.891 -4.705 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.484 10.406 -6.332 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.470 11.139 -4.710 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.463 9.697 -5.026 1.00 1.15 H new ATOM 803 N GLU A2101 7.864 6.072 -4.586 1.00 0.21 N ATOM 804 CA GLU A2101 7.475 5.207 -5.696 1.00 0.20 C ATOM 805 C GLU A2101 6.365 4.245 -5.288 1.00 0.17 C ATOM 806 O GLU A2101 5.484 3.925 -6.088 1.00 0.17 O ATOM 807 CB GLU A2101 8.679 4.427 -6.197 1.00 0.23 C ATOM 808 CG GLU A2101 9.840 5.320 -6.558 1.00 0.28 C ATOM 809 CD GLU A2101 10.914 4.604 -7.352 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.100 4.979 -7.231 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.581 3.643 -8.079 1.00 0.45 O ATOM 0 H GLU A2101 8.819 5.928 -4.259 1.00 0.21 H new ATOM 0 HA GLU A2101 7.095 5.841 -6.498 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.994 3.720 -5.430 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.390 3.842 -7.070 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.473 6.168 -7.136 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.279 5.723 -5.645 1.00 0.28 H new ATOM 818 N LEU A2102 6.424 3.763 -4.052 1.00 0.16 N ATOM 819 CA LEU A2102 5.334 2.985 -3.497 1.00 0.16 C ATOM 820 C LEU A2102 4.050 3.763 -3.584 1.00 0.16 C ATOM 821 O LEU A2102 3.097 3.349 -4.237 1.00 0.21 O ATOM 822 CB LEU A2102 5.596 2.661 -2.041 1.00 0.22 C ATOM 823 CG LEU A2102 6.768 1.745 -1.783 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.660 1.151 -0.406 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.824 0.659 -2.826 1.00 1.13 C ATOM 0 H LEU A2102 7.214 3.899 -3.421 1.00 0.16 H new ATOM 0 HA LEU A2102 5.256 2.061 -4.070 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.760 3.594 -1.502 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.700 2.204 -1.621 1.00 0.22 H new ATOM 0 HG LEU A2102 7.690 2.324 -1.843 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.509 0.491 -0.227 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.658 1.950 0.336 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.734 0.581 -0.327 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.674 0.007 -2.627 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.904 0.076 -2.794 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.935 1.108 -3.813 1.00 1.13 H new ATOM 837 N ARG A2103 4.053 4.896 -2.911 1.00 0.18 N ATOM 838 CA ARG A2103 2.935 5.813 -2.913 1.00 0.25 C ATOM 839 C ARG A2103 2.455 6.100 -4.339 1.00 0.22 C ATOM 840 O ARG A2103 1.254 6.184 -4.586 1.00 0.24 O ATOM 841 CB ARG A2103 3.358 7.099 -2.195 1.00 0.37 C ATOM 842 CG ARG A2103 2.410 8.270 -2.371 1.00 0.72 C ATOM 843 CD ARG A2103 2.775 9.119 -3.583 1.00 0.65 C ATOM 844 NE ARG A2103 1.886 10.267 -3.738 1.00 1.21 N ATOM 845 CZ ARG A2103 1.862 11.056 -4.812 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.653 10.805 -5.850 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.038 12.095 -4.849 1.00 2.11 N ATOM 0 H ARG A2103 4.840 5.208 -2.342 1.00 0.18 H new ATOM 0 HA ARG A2103 2.093 5.364 -2.386 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.457 6.888 -1.130 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.344 7.391 -2.555 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.391 7.899 -2.481 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.428 8.890 -1.475 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.803 9.468 -3.484 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.732 8.504 -4.482 1.00 0.65 H new ATOM 0 HE ARG A2103 1.242 10.479 -2.976 1.00 1.21 H new ATOM 0 HH11 ARG A2103 3.284 10.004 -5.828 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.629 11.413 -6.668 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.425 12.288 -4.057 1.00 2.11 H new ATOM 0 HH22 ARG A2103 1.017 12.701 -5.670 1.00 2.11 H new ATOM 861 N ASN A2104 3.403 6.249 -5.261 1.00 0.21 N ATOM 862 CA ASN A2104 3.097 6.457 -6.669 1.00 0.22 C ATOM 863 C ASN A2104 2.199 5.348 -7.197 1.00 0.23 C ATOM 864 O ASN A2104 1.145 5.610 -7.778 1.00 0.29 O ATOM 865 CB ASN A2104 4.394 6.509 -7.483 1.00 0.23 C ATOM 866 CG ASN A2104 5.092 7.849 -7.396 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.476 8.863 -7.072 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.375 7.866 -7.724 1.00 0.36 N ATOM 0 H ASN A2104 4.401 6.229 -5.051 1.00 0.21 H new ATOM 0 HA ASN A2104 2.569 7.405 -6.770 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.070 5.730 -7.130 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.171 6.289 -8.527 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.892 8.745 -7.714 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.846 7.000 -7.986 1.00 0.36 H new ATOM 875 N THR A2105 2.617 4.112 -6.972 1.00 0.21 N ATOM 876 CA THR A2105 1.852 2.950 -7.396 1.00 0.24 C ATOM 877 C THR A2105 0.553 2.843 -6.596 1.00 0.22 C ATOM 878 O THR A2105 -0.508 2.547 -7.146 1.00 0.24 O ATOM 879 CB THR A2105 2.682 1.665 -7.205 1.00 0.28 C ATOM 880 OG1 THR A2105 4.010 1.868 -7.710 1.00 0.33 O ATOM 881 CG2 THR A2105 2.042 0.484 -7.919 1.00 0.28 C ATOM 0 H THR A2105 3.490 3.887 -6.494 1.00 0.21 H new ATOM 0 HA THR A2105 1.610 3.068 -8.452 1.00 0.24 H new ATOM 0 HB THR A2105 2.720 1.441 -6.139 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.520 2.418 -7.079 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.651 -0.407 -7.766 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.043 0.314 -7.518 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.973 0.697 -8.986 1.00 0.28 H new ATOM 889 N LEU A2106 0.655 3.108 -5.298 1.00 0.20 N ATOM 890 CA LEU A2106 -0.475 3.026 -4.375 1.00 0.19 C ATOM 891 C LEU A2106 -1.596 3.983 -4.759 1.00 0.18 C ATOM 892 O LEU A2106 -2.712 3.553 -5.028 1.00 0.22 O ATOM 893 CB LEU A2106 -0.004 3.338 -2.949 1.00 0.28 C ATOM 894 CG LEU A2106 0.428 2.139 -2.096 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.338 1.199 -2.870 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.123 2.618 -0.832 1.00 1.47 C ATOM 0 H LEU A2106 1.529 3.388 -4.852 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.869 2.011 -4.428 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.833 4.033 -3.010 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.810 3.855 -2.428 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.470 1.584 -1.825 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.623 0.362 -2.233 1.00 1.25 H new ATOM 0 HD12 LEU A2106 0.812 0.824 -3.748 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.233 1.736 -3.185 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.425 1.758 -0.235 1.00 1.47 H new ATOM 0 HD22 LEU A2106 2.004 3.201 -1.100 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.439 3.239 -0.254 1.00 1.47 H new ATOM 908 N THR A2107 -1.300 5.277 -4.794 1.00 0.19 N ATOM 909 CA THR A2107 -2.327 6.281 -5.037 1.00 0.27 C ATOM 910 C THR A2107 -2.899 6.137 -6.451 1.00 0.29 C ATOM 911 O THR A2107 -4.058 6.468 -6.703 1.00 0.33 O ATOM 912 CB THR A2107 -1.797 7.717 -4.784 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.879 8.638 -4.651 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.879 8.195 -5.895 1.00 0.44 C ATOM 0 H THR A2107 -0.362 5.654 -4.658 1.00 0.19 H new ATOM 0 HA THR A2107 -3.135 6.110 -4.325 1.00 0.27 H new ATOM 0 HB THR A2107 -1.225 7.677 -3.857 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.606 8.378 -5.255 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.534 9.205 -5.673 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.021 7.527 -5.971 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.422 8.197 -6.840 1.00 0.44 H new ATOM 922 N HIS A2108 -2.080 5.619 -7.361 1.00 0.29 N ATOM 923 CA HIS A2108 -2.528 5.283 -8.707 1.00 0.35 C ATOM 924 C HIS A2108 -3.525 4.130 -8.656 1.00 0.35 C ATOM 925 O HIS A2108 -4.632 4.217 -9.182 1.00 0.47 O ATOM 926 CB HIS A2108 -1.323 4.891 -9.561 1.00 0.38 C ATOM 927 CG HIS A2108 -1.660 4.506 -10.969 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.715 5.404 -12.013 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.959 3.300 -11.496 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.036 4.764 -13.120 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.190 3.485 -12.835 1.00 1.29 N ATOM 0 H HIS A2108 -1.094 5.422 -7.188 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.019 6.151 -9.148 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.622 5.726 -9.583 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.810 4.057 -9.082 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -2.007 2.363 -10.962 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.153 5.211 -14.096 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.440 2.754 -13.501 1.00 1.29 H new ATOM 940 N ASN A2109 -3.104 3.061 -8.008 1.00 0.27 N ATOM 941 CA ASN A2109 -3.887 1.828 -7.914 1.00 0.28 C ATOM 942 C ASN A2109 -5.184 2.013 -7.134 1.00 0.28 C ATOM 943 O ASN A2109 -6.202 1.406 -7.455 1.00 0.36 O ATOM 944 CB ASN A2109 -3.045 0.741 -7.248 1.00 0.28 C ATOM 945 CG ASN A2109 -2.457 -0.232 -8.249 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.069 -1.247 -8.579 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.263 0.067 -8.736 1.00 0.39 N ATOM 0 H ASN A2109 -2.206 3.016 -7.527 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.158 1.538 -8.929 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.238 1.207 -6.682 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.661 0.195 -6.534 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.817 -0.554 -9.411 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.789 0.919 -8.436 1.00 0.39 H new ATOM 954 N THR A2110 -5.145 2.859 -6.122 1.00 0.25 N ATOM 955 CA THR A2110 -6.260 3.018 -5.209 1.00 0.26 C ATOM 956 C THR A2110 -7.290 3.984 -5.770 1.00 0.27 C ATOM 957 O THR A2110 -8.479 3.896 -5.462 1.00 0.33 O ATOM 958 CB THR A2110 -5.759 3.522 -3.846 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.942 4.685 -4.034 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.948 2.451 -3.136 1.00 0.29 C ATOM 0 H THR A2110 -4.343 3.453 -5.911 1.00 0.25 H new ATOM 0 HA THR A2110 -6.735 2.045 -5.081 1.00 0.26 H new ATOM 0 HB THR A2110 -6.626 3.769 -3.233 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.022 4.410 -4.231 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.605 2.832 -2.174 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.570 1.570 -2.976 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.087 2.182 -3.747 1.00 0.29 H new ATOM 968 N GLY A2111 -6.818 4.895 -6.609 1.00 0.23 N ATOM 969 CA GLY A2111 -7.692 5.870 -7.216 1.00 0.26 C ATOM 970 C GLY A2111 -7.914 7.069 -6.320 1.00 0.29 C ATOM 971 O GLY A2111 -8.805 7.886 -6.564 1.00 0.36 O ATOM 0 H GLY A2111 -5.838 4.974 -6.880 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -7.265 6.200 -8.163 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.651 5.405 -7.443 1.00 0.26 H new ATOM 975 N LEU A2112 -7.107 7.164 -5.277 1.00 0.28 N ATOM 976 CA LEU A2112 -7.181 8.264 -4.331 1.00 0.34 C ATOM 977 C LEU A2112 -5.992 9.177 -4.506 1.00 0.29 C ATOM 978 O LEU A2112 -5.340 9.187 -5.553 1.00 0.29 O ATOM 979 CB LEU A2112 -7.185 7.743 -2.898 1.00 0.43 C ATOM 980 CG LEU A2112 -7.276 6.240 -2.737 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.575 5.850 -1.463 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.720 5.778 -2.715 1.00 0.47 C ATOM 0 H LEU A2112 -6.381 6.480 -5.062 1.00 0.28 H new ATOM 0 HA LEU A2112 -8.105 8.810 -4.522 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.275 8.087 -2.405 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -8.024 8.196 -2.370 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.795 5.757 -3.587 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -6.632 4.769 -1.333 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.530 6.155 -1.515 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.055 6.343 -0.618 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -8.754 4.695 -2.598 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.240 6.249 -1.881 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.206 6.058 -3.650 1.00 0.47 H new ATOM 994 N ASP A2113 -5.731 9.949 -3.473 1.00 0.28 N ATOM 995 CA ASP A2113 -4.584 10.826 -3.435 1.00 0.28 C ATOM 996 C ASP A2113 -3.896 10.694 -2.096 1.00 0.30 C ATOM 997 O ASP A2113 -4.519 10.843 -1.045 1.00 0.35 O ATOM 998 CB ASP A2113 -5.016 12.257 -3.665 1.00 0.34 C ATOM 999 CG ASP A2113 -3.882 13.250 -3.485 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.017 13.346 -4.384 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.843 13.933 -2.440 1.00 0.43 O ATOM 0 H ASP A2113 -6.311 9.985 -2.635 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.887 10.545 -4.225 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.420 12.352 -4.673 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.822 12.504 -2.974 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.621 10.401 -2.152 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.843 10.085 -0.968 1.00 0.30 C ATOM 1008 C LEU A2114 -0.521 10.840 -0.970 1.00 0.30 C ATOM 1009 O LEU A2114 0.009 11.178 -2.029 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.573 8.579 -0.925 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.822 7.699 -0.946 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.436 6.232 -0.952 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.717 8.022 0.241 1.00 0.91 C ATOM 0 H LEU A2114 -2.086 10.373 -3.020 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.411 10.387 -0.088 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.945 8.313 -1.775 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -1.002 8.353 -0.024 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.381 7.906 -1.859 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.337 5.619 -0.967 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.836 6.017 -1.836 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.857 6.004 -0.057 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.603 7.387 0.212 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.172 7.842 1.167 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -4.019 9.068 0.195 1.00 0.91 H new ATOM 1025 N PRO A2115 0.027 11.110 0.221 1.00 0.29 N ATOM 1026 CA PRO A2115 1.315 11.792 0.374 1.00 0.31 C ATOM 1027 C PRO A2115 2.492 10.848 0.162 1.00 0.28 C ATOM 1028 O PRO A2115 2.400 9.655 0.443 1.00 0.25 O ATOM 1029 CB PRO A2115 1.280 12.232 1.833 1.00 0.33 C ATOM 1030 CG PRO A2115 0.523 11.143 2.502 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.567 10.773 1.533 1.00 0.30 C ATOM 0 HA PRO A2115 1.446 12.598 -0.348 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.283 12.336 2.246 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.785 13.196 1.950 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.166 10.290 2.717 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.109 11.477 3.453 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.825 9.716 1.600 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.481 11.337 1.719 1.00 0.30 H new ATOM 1039 N PRO A2116 3.627 11.371 -0.315 1.00 0.33 N ATOM 1040 CA PRO A2116 4.853 10.584 -0.452 1.00 0.36 C ATOM 1041 C PRO A2116 5.481 10.282 0.908 1.00 0.34 C ATOM 1042 O PRO A2116 6.521 9.629 0.999 1.00 0.43 O ATOM 1043 CB PRO A2116 5.762 11.488 -1.287 1.00 0.44 C ATOM 1044 CG PRO A2116 5.288 12.870 -1.001 1.00 0.46 C ATOM 1045 CD PRO A2116 3.807 12.764 -0.765 1.00 0.43 C ATOM 0 HA PRO A2116 4.678 9.610 -0.910 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.808 11.363 -1.009 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.685 11.255 -2.349 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.793 13.282 -0.127 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.503 13.536 -1.837 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.469 13.476 -0.012 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.240 12.968 -1.674 1.00 0.43 H new ATOM 1053 N THR A2117 4.837 10.773 1.965 1.00 0.27 N ATOM 1054 CA THR A2117 5.300 10.554 3.324 1.00 0.24 C ATOM 1055 C THR A2117 4.547 9.413 4.013 1.00 0.17 C ATOM 1056 O THR A2117 4.758 9.161 5.199 1.00 0.15 O ATOM 1057 CB THR A2117 5.157 11.840 4.153 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.886 12.450 3.888 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.275 12.815 3.823 1.00 0.36 C ATOM 0 H THR A2117 3.985 11.330 1.899 1.00 0.27 H new ATOM 0 HA THR A2117 6.351 10.272 3.261 1.00 0.24 H new ATOM 0 HB THR A2117 5.221 11.582 5.210 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.799 13.268 4.420 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.157 13.719 4.420 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.237 12.355 4.048 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.234 13.071 2.764 1.00 0.36 H new ATOM 1067 N LEU A2118 3.662 8.743 3.264 1.00 0.16 N ATOM 1068 CA LEU A2118 2.981 7.532 3.739 1.00 0.16 C ATOM 1069 C LEU A2118 3.899 6.638 4.546 1.00 0.16 C ATOM 1070 O LEU A2118 3.674 6.385 5.727 1.00 0.19 O ATOM 1071 CB LEU A2118 2.508 6.697 2.559 1.00 0.23 C ATOM 1072 CG LEU A2118 1.312 7.215 1.793 1.00 0.33 C ATOM 1073 CD1 LEU A2118 1.009 6.258 0.657 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.122 7.353 2.722 1.00 0.77 C ATOM 0 H LEU A2118 3.399 9.022 2.319 1.00 0.16 H new ATOM 0 HA LEU A2118 2.152 7.876 4.358 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.339 6.593 1.861 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.271 5.697 2.923 1.00 0.23 H new ATOM 0 HG LEU A2118 1.528 8.200 1.380 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.148 6.620 0.096 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.873 6.194 -0.005 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.789 5.270 1.062 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.735 7.727 2.162 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.120 6.380 3.150 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.365 8.051 3.523 1.00 0.77 H new ATOM 1086 N ILE A2119 4.923 6.162 3.861 1.00 0.15 N ATOM 1087 CA ILE A2119 5.876 5.201 4.402 1.00 0.18 C ATOM 1088 C ILE A2119 6.546 5.721 5.674 1.00 0.20 C ATOM 1089 O ILE A2119 7.034 4.951 6.495 1.00 0.28 O ATOM 1090 CB ILE A2119 6.981 4.890 3.372 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.419 4.812 1.941 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.701 3.601 3.733 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.304 3.809 1.733 1.00 0.20 C ATOM 0 H ILE A2119 5.122 6.434 2.898 1.00 0.15 H new ATOM 0 HA ILE A2119 5.310 4.299 4.636 1.00 0.18 H new ATOM 0 HB ILE A2119 7.697 5.711 3.401 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.054 5.799 1.658 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.235 4.568 1.261 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.477 3.399 2.995 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.155 3.702 4.719 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.988 2.777 3.745 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.981 3.835 0.692 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.664 2.809 1.977 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.463 4.060 2.380 1.00 0.20 H new ATOM 1105 N PHE A2120 6.578 7.032 5.823 1.00 0.17 N ATOM 1106 CA PHE A2120 7.235 7.656 6.948 1.00 0.19 C ATOM 1107 C PHE A2120 6.302 7.777 8.151 1.00 0.20 C ATOM 1108 O PHE A2120 6.747 7.728 9.297 1.00 0.26 O ATOM 1109 CB PHE A2120 7.744 9.022 6.518 1.00 0.19 C ATOM 1110 CG PHE A2120 8.909 8.919 5.583 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.990 8.123 5.914 1.00 0.31 C ATOM 1112 CD2 PHE A2120 8.921 9.594 4.374 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.061 7.999 5.061 1.00 0.37 C ATOM 1114 CE2 PHE A2120 9.994 9.476 3.514 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.066 8.675 3.857 1.00 0.38 C ATOM 0 H PHE A2120 6.151 7.688 5.170 1.00 0.17 H new ATOM 0 HA PHE A2120 8.071 7.031 7.262 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.938 9.573 6.033 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.036 9.594 7.399 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.993 7.592 6.854 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.083 10.219 4.102 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.898 7.373 5.333 1.00 0.37 H new ATOM 0 HE2 PHE A2120 9.996 10.009 2.575 1.00 0.34 H new ATOM 0 HZ PHE A2120 11.906 8.578 3.185 1.00 0.38 H new ATOM 1125 N ASP A2121 5.013 7.934 7.882 1.00 0.17 N ATOM 1126 CA ASP A2121 4.015 8.086 8.941 1.00 0.22 C ATOM 1127 C ASP A2121 3.424 6.738 9.332 1.00 0.20 C ATOM 1128 O ASP A2121 3.142 6.479 10.501 1.00 0.29 O ATOM 1129 CB ASP A2121 2.894 9.012 8.479 1.00 0.29 C ATOM 1130 CG ASP A2121 1.970 9.418 9.612 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.870 8.841 9.723 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.336 10.321 10.389 1.00 0.88 O ATOM 0 H ASP A2121 4.629 7.960 6.937 1.00 0.17 H new ATOM 0 HA ASP A2121 4.512 8.517 9.810 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.327 9.906 8.030 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.314 8.515 7.702 1.00 0.29 H new ATOM 1137 N HIS A2122 3.257 5.883 8.339 1.00 0.14 N ATOM 1138 CA HIS A2122 2.661 4.563 8.526 1.00 0.14 C ATOM 1139 C HIS A2122 3.610 3.519 7.970 1.00 0.14 C ATOM 1140 O HIS A2122 3.355 2.937 6.915 1.00 0.14 O ATOM 1141 CB HIS A2122 1.330 4.436 7.780 1.00 0.16 C ATOM 1142 CG HIS A2122 0.415 5.610 7.910 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.654 5.637 8.774 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.390 6.791 7.247 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.298 6.777 8.635 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.687 7.497 7.714 1.00 0.40 N ATOM 0 H HIS A2122 3.530 6.080 7.376 1.00 0.14 H new ATOM 0 HA HIS A2122 2.482 4.419 9.592 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.538 4.273 6.723 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.811 3.549 8.143 1.00 0.16 H new ATOM 0 HD2 HIS A2122 1.089 7.116 6.491 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.180 7.073 9.184 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -0.970 8.426 7.401 1.00 0.40 H new ATOM 1155 N PRO A2123 4.723 3.271 8.649 1.00 0.16 N ATOM 1156 CA PRO A2123 5.762 2.431 8.120 1.00 0.17 C ATOM 1157 C PRO A2123 5.606 0.975 8.524 1.00 0.15 C ATOM 1158 O PRO A2123 5.871 0.609 9.664 1.00 0.19 O ATOM 1159 CB PRO A2123 7.012 3.023 8.781 1.00 0.20 C ATOM 1160 CG PRO A2123 6.528 3.873 9.922 1.00 0.25 C ATOM 1161 CD PRO A2123 5.033 3.735 9.973 1.00 0.20 C ATOM 0 HA PRO A2123 5.773 2.418 7.030 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.673 2.233 9.138 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.583 3.618 8.068 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.977 3.549 10.861 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.814 4.914 9.775 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.716 3.025 10.737 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.544 4.683 10.196 1.00 0.20 H new ATOM 1169 N THR A2124 5.129 0.205 7.555 1.00 0.12 N ATOM 1170 CA THR A2124 5.223 -1.247 7.431 1.00 0.10 C ATOM 1171 C THR A2124 4.266 -1.607 6.311 1.00 0.10 C ATOM 1172 O THR A2124 3.380 -0.797 6.017 1.00 0.11 O ATOM 1173 CB THR A2124 4.866 -2.068 8.693 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.702 -1.546 9.334 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.031 -2.118 9.657 1.00 0.11 C ATOM 0 H THR A2124 4.624 0.613 6.768 1.00 0.12 H new ATOM 0 HA THR A2124 6.267 -1.502 7.248 1.00 0.10 H new ATOM 0 HB THR A2124 4.647 -3.087 8.374 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.497 -2.083 10.128 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.752 -2.701 10.535 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.887 -2.583 9.169 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.294 -1.105 9.963 1.00 0.11 H new ATOM 1183 N PRO A2125 4.381 -2.757 5.648 1.00 0.11 N ATOM 1184 CA PRO A2125 3.344 -3.164 4.711 1.00 0.12 C ATOM 1185 C PRO A2125 1.994 -3.234 5.417 1.00 0.13 C ATOM 1186 O PRO A2125 0.967 -2.838 4.863 1.00 0.14 O ATOM 1187 CB PRO A2125 3.790 -4.539 4.227 1.00 0.12 C ATOM 1188 CG PRO A2125 5.253 -4.585 4.503 1.00 0.12 C ATOM 1189 CD PRO A2125 5.491 -3.713 5.710 1.00 0.11 C ATOM 0 HA PRO A2125 3.219 -2.464 3.885 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.263 -5.334 4.755 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.584 -4.670 3.165 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.580 -5.607 4.693 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.821 -4.223 3.646 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.476 -4.290 6.635 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.458 -3.213 5.662 1.00 0.11 H new ATOM 1197 N HIS A2126 2.018 -3.687 6.674 1.00 0.13 N ATOM 1198 CA HIS A2126 0.813 -3.777 7.487 1.00 0.15 C ATOM 1199 C HIS A2126 0.254 -2.394 7.819 1.00 0.14 C ATOM 1200 O HIS A2126 -0.936 -2.174 7.649 1.00 0.16 O ATOM 1201 CB HIS A2126 1.099 -4.584 8.759 1.00 0.18 C ATOM 1202 CG HIS A2126 0.025 -4.508 9.806 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.139 -5.244 9.744 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.054 -3.781 10.947 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.885 -4.973 10.799 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.248 -4.090 11.543 1.00 0.40 N ATOM 0 H HIS A2126 2.866 -3.997 7.148 1.00 0.13 H new ATOM 0 HA HIS A2126 0.048 -4.297 6.910 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.246 -5.629 8.485 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.035 -4.233 9.193 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.686 -3.087 11.317 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.852 -5.402 11.016 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.590 -3.700 12.421 1.00 0.40 H new ATOM 1215 N ALA A2127 1.101 -1.464 8.273 1.00 0.13 N ATOM 1216 CA ALA A2127 0.634 -0.113 8.619 1.00 0.12 C ATOM 1217 C ALA A2127 -0.074 0.534 7.436 1.00 0.11 C ATOM 1218 O ALA A2127 -1.055 1.264 7.605 1.00 0.11 O ATOM 1219 CB ALA A2127 1.785 0.776 9.088 1.00 0.13 C ATOM 0 H ALA A2127 2.100 -1.616 8.409 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.073 -0.216 9.442 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.402 1.766 9.335 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.249 0.336 9.971 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.526 0.861 8.293 1.00 0.13 H new ATOM 1225 N LEU A2128 0.422 0.263 6.239 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.205 0.765 5.035 1.00 0.11 C ATOM 1227 C LEU A2128 -1.456 -0.022 4.693 1.00 0.13 C ATOM 1228 O LEU A2128 -2.420 0.545 4.189 1.00 0.14 O ATOM 1229 CB LEU A2128 0.776 0.736 3.878 1.00 0.11 C ATOM 1230 CG LEU A2128 1.887 1.768 3.970 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.723 1.722 2.715 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.311 3.161 4.193 1.00 0.12 C ATOM 0 H LEU A2128 1.256 -0.302 6.079 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.503 1.798 5.217 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.223 -0.257 3.821 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.228 0.892 2.949 1.00 0.11 H new ATOM 0 HG LEU A2128 2.523 1.534 4.824 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.520 2.463 2.781 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.159 0.729 2.604 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.095 1.941 1.851 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.123 3.885 4.256 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.657 3.422 3.361 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.740 3.174 5.122 1.00 0.12 H new ATOM 1244 N THR A2129 -1.454 -1.316 4.988 1.00 0.15 N ATOM 1245 CA THR A2129 -2.638 -2.136 4.791 1.00 0.17 C ATOM 1246 C THR A2129 -3.793 -1.533 5.574 1.00 0.17 C ATOM 1247 O THR A2129 -4.939 -1.542 5.131 1.00 0.20 O ATOM 1248 CB THR A2129 -2.411 -3.598 5.247 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.261 -4.150 4.595 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.620 -4.465 4.934 1.00 0.18 C ATOM 0 H THR A2129 -0.648 -1.817 5.363 1.00 0.15 H new ATOM 0 HA THR A2129 -2.865 -2.155 3.725 1.00 0.17 H new ATOM 0 HB THR A2129 -2.254 -3.585 6.326 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.449 -3.749 4.969 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.431 -5.486 5.266 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.494 -4.071 5.452 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.803 -4.460 3.859 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.457 -0.961 6.720 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.439 -0.310 7.564 1.00 0.18 C ATOM 1260 C GLN A2130 -4.844 1.030 6.959 1.00 0.17 C ATOM 1261 O GLN A2130 -6.032 1.346 6.854 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.891 -0.083 8.976 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.920 -1.152 9.447 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.557 -1.010 10.907 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.595 -0.327 11.255 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.326 -1.648 11.774 1.00 1.13 N ATOM 0 H GLN A2130 -2.505 -0.936 7.086 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.309 -0.963 7.629 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.391 0.885 9.008 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.727 -0.034 9.674 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.360 -2.135 9.281 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.013 -1.103 8.845 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.115 -2.204 11.443 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.130 -1.584 12.773 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.845 1.814 6.550 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.091 3.142 6.002 1.00 0.18 C ATOM 1277 C HIS A2131 -4.901 3.068 4.718 1.00 0.18 C ATOM 1278 O HIS A2131 -5.910 3.756 4.580 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.770 3.871 5.746 1.00 0.23 C ATOM 1280 CG HIS A2131 -2.956 5.264 5.232 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.543 6.264 5.972 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.646 5.817 4.037 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.588 7.370 5.258 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.049 7.129 4.080 1.00 0.31 N ATOM 0 H HIS A2131 -2.861 1.550 6.589 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.668 3.701 6.738 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.196 3.906 6.672 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.181 3.301 5.027 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.170 5.320 3.205 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.998 8.315 5.583 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -2.948 7.806 3.324 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.456 2.253 3.777 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.174 2.087 2.532 1.00 0.21 C ATOM 1295 C LEU A2132 -6.555 1.487 2.765 1.00 0.21 C ATOM 1296 O LEU A2132 -7.513 1.892 2.123 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.377 1.249 1.527 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.237 1.987 0.820 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.689 3.374 0.421 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.006 2.077 1.698 1.00 0.64 C ATOM 0 H LEU A2132 -3.603 1.699 3.854 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.306 3.080 2.102 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.962 0.386 2.047 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -5.064 0.866 0.772 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.972 1.420 -0.072 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.872 3.892 -0.081 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.541 3.299 -0.255 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.980 3.932 1.311 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.217 2.607 1.165 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.251 2.616 2.613 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.664 1.073 1.949 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.681 0.561 3.710 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.986 -0.020 3.999 1.00 0.21 C ATOM 1314 C HIS A2133 -8.913 1.067 4.499 1.00 0.21 C ATOM 1315 O HIS A2133 -10.112 1.036 4.255 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.891 -1.138 5.036 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.198 -1.831 5.287 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.687 -2.073 6.549 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.124 -2.325 4.427 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.853 -2.683 6.459 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.145 -2.847 5.183 1.00 0.31 N ATOM 0 H HIS A2133 -5.913 0.203 4.278 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.377 -0.456 3.080 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.157 -1.872 4.702 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.522 -0.723 5.974 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -10.069 -2.310 3.349 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.466 -2.996 7.291 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.989 -3.288 4.818 1.00 0.31 H new ATOM 1330 N THR A2134 -8.337 2.028 5.194 1.00 0.18 N ATOM 1331 CA THR A2134 -9.079 3.180 5.653 1.00 0.22 C ATOM 1332 C THR A2134 -9.464 4.075 4.476 1.00 0.26 C ATOM 1333 O THR A2134 -10.608 4.487 4.358 1.00 0.34 O ATOM 1334 CB THR A2134 -8.269 3.977 6.690 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.914 3.122 7.789 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.054 5.173 7.205 1.00 0.36 C ATOM 0 H THR A2134 -7.351 2.031 5.453 1.00 0.18 H new ATOM 0 HA THR A2134 -9.991 2.825 6.132 1.00 0.22 H new ATOM 0 HB THR A2134 -7.367 4.347 6.203 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.343 2.394 7.466 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.454 5.715 7.936 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.297 5.834 6.373 1.00 0.36 H new ATOM 0 HG23 THR A2134 -9.975 4.829 7.676 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.507 4.342 3.597 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.736 5.198 2.437 1.00 0.32 C ATOM 1346 C ARG A2135 -9.782 4.623 1.473 1.00 0.40 C ATOM 1347 O ARG A2135 -10.703 5.320 1.060 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.432 5.408 1.682 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.386 6.167 2.466 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.935 7.484 2.974 1.00 0.33 C ATOM 1351 NE ARG A2135 -7.565 8.281 1.918 1.00 0.85 N ATOM 1352 CZ ARG A2135 -7.360 9.586 1.736 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.524 10.255 2.523 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -8.008 10.227 0.775 1.00 1.64 N ATOM 0 H ARG A2135 -7.557 3.976 3.665 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.118 6.145 2.817 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.026 4.436 1.400 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.641 5.947 0.758 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.047 5.562 3.307 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.516 6.351 1.835 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.664 7.289 3.760 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.127 8.060 3.424 1.00 0.33 H new ATOM 0 HE ARG A2135 -8.203 7.806 1.280 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -6.033 9.770 3.274 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.374 11.253 2.376 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -8.662 9.722 0.176 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -7.853 11.225 0.634 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.607 3.363 1.087 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.482 2.706 0.144 1.00 0.51 C ATOM 1370 C LEU A2136 -11.914 2.563 0.656 1.00 0.58 C ATOM 1371 O LEU A2136 -12.830 2.324 -0.123 1.00 0.85 O ATOM 1372 CB LEU A2136 -9.903 1.340 -0.180 1.00 0.54 C ATOM 1373 CG LEU A2136 -8.741 1.334 -1.178 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -9.198 1.838 -2.521 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -7.560 2.159 -0.712 1.00 0.75 C ATOM 0 H LEU A2136 -8.848 2.773 1.426 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.539 3.327 -0.750 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -9.564 0.879 0.748 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -10.701 0.711 -0.575 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.410 0.298 -1.257 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -8.360 1.827 -3.218 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -9.993 1.196 -2.899 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.572 2.857 -2.419 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -6.769 2.116 -1.460 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -7.872 3.194 -0.572 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -7.188 1.761 0.232 1.00 0.75 H new ATOM 1387 N THR A2137 -12.113 2.694 1.957 1.00 0.43 N ATOM 1388 CA THR A2137 -13.429 2.516 2.533 1.00 0.47 C ATOM 1389 C THR A2137 -14.000 3.839 3.028 1.00 0.54 C ATOM 1390 O THR A2137 -15.102 4.247 2.658 1.00 0.68 O ATOM 1391 CB THR A2137 -13.365 1.515 3.697 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.473 1.988 4.716 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.883 0.162 3.209 1.00 0.42 C ATOM 0 H THR A2137 -11.381 2.922 2.630 1.00 0.43 H new ATOM 0 HA THR A2137 -14.085 2.129 1.753 1.00 0.47 H new ATOM 0 HB THR A2137 -14.369 1.415 4.109 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.707 1.381 4.787 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.844 -0.534 4.047 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.570 -0.218 2.453 1.00 0.42 H new ATOM 0 HG23 THR A2137 -11.888 0.265 2.776 1.00 0.42 H new